From 8f537bf316a1042d552d91af4adae1e8dae783d4 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 31 Oct 2023 18:35:09 +0100 Subject: [PATCH 001/168] Added round param for all modules (currently active for proteus und gprofiler), added citations for gprofiler, added gprofiler section to report --- CITATIONS.md | 4 ++ assets/differentialabundance_report.Rmd | 74 +++++++++++++++++++++++- conf/modules.config | 49 +++++++++++++++- lib/WorkflowDifferentialabundance.groovy | 5 +- nextflow.config | 22 ++++++- nextflow_schema.json | 22 +++++-- workflows/differentialabundance.nf | 41 +++++++++++-- 7 files changed, 202 insertions(+), 15 deletions(-) diff --git a/CITATIONS.md b/CITATIONS.md index 200368b1..bafe71d5 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -28,6 +28,10 @@ > H. Wickham (2016). ggplot2: Elegant Graphics for Data Analysis. Springer-Verlag New York. +- [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/index.html) + + > Kolberg L, Raudvere U, Kuzmin I, Vilo J, Peterson H (2020). “gprofiler2– an R package for gene list functional enrichment analysis and namespace conversion toolset g:Profiler.” F1000Research, 9 (ELIXIR)(709). R package version 0.2.2. + - [GEOQuery](https://pubmed.ncbi.nlm.nih.gov/17496320/) > Davis S, Meltzer PS. Geoquery: a bridge between the gene expression omnibus (Geo) and bioconductor. Bioinformatics. 2007;23(14):1846-1847. diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index d6b654b8..844c2579 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -46,7 +46,6 @@ params: proteus_plotsd_method: NULL proteus_plotmv_loess: NULL proteus_palette_name: NULL - proteus_round_digits: NULL affy_cel_files_archive: NULL affy_file_name_col: NULL affy_background: NULL @@ -136,6 +135,22 @@ params: gsea_zip_report: NULL gsea_chip_file: NULL gsea_gene_sets: NULL + gprofiler2_run: false + gprofiler2_organism: NULL + gprofiler2_significant: NULL + gprofiler2_measure_underrepresentation: NULL + gprofiler2_correction_method: NULL + gprofiler2_sources: NULL + gprofiler2_evcodes: NULL + gprofiler2_pval_threshold: NULL + gprofiler2_gmt_file: NULL + gprofiler2_gost_id: NULL + gprofiler2_background_file: NULL + gprofiler2_background_column: NULL + gprofiler2_domain_scope: NULL + gprofiler2_min_diff: NULL + gprofiler2_enrich_colors: NULL + round_digits: NULL --- @@ -148,6 +163,34 @@ library(plotly) library(DT) ``` + + +```{r, include=FALSE} +round_dataframe_columns <- function(df, columns = NULL, digits = -1) { + if (digits == -1) { + return(df) # if -1, return df without rounding + } + + df <- data.frame(df, check.names = FALSE) # make data.frame from vector as otherwise, the format will get messed up + if (is.null(columns)) { + columns <- colnames(df)[(unlist(lapply(df, is.numeric), use.names=F))] # extract only numeric columns for rounding + } + + df[,columns] <- round( + data.frame(df[, columns], check.names = FALSE), + digits = digits + ) + + # Convert columns back to numeric + + for (c in columns) { + df[[c]][grep("^ *NA$", df[[c]])] <- NA + df[[c]] <- as.numeric(df[[c]]) + } + df +} +``` + ```{r include = FALSE} # Load the datatables js datatable(NULL) @@ -817,6 +860,35 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ } ``` +```{r, echo=FALSE, results='asis', eval=params$gprofiler2_run} +enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) +cat(paste0("\n## Pathway enrichment analysis {.tabset}")) +cat(paste0("\nThis section contains the results of the pathway analysis which was done with the R package gprofiler2. The plots show the -log10 adjusted p values of each pathway which was found to be enriched for differential genes (if necessary determined by converting feature IDs to gene IDs); if possible, pathways are grouped by their source database. The tables below give additional info for each pathway; the differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.\n")) + +for (html in rev(grep(".html", enrichment_files, value=T, fixed=T))) { + contrast <- unlist(strsplit(html, "gprofiler2.", fixed=T))[2] + contrast <- unlist(strsplit(contrast, ".gostplot", fixed=T))[1] + if (! file.exists(file.path(params$input_dir, html))){ + stop(paste("Gprofiler2 gost plot", file.path(params$input_dir, html), "does not exist")) + } + cat(paste0("\n### ", contrast, "\n")) + cat(paste0('')) + + table <- paste0("gprofiler2.", contrast, ".all_enriched_pathways.tsv") + if (! file.exists(file.path(params$input_dir, table))){ + stop(paste("Gprofiler2 enrichment table", file.path(params$input_dir, table), "does not exist")) + } + all_enriched <- read.table(file.path(params$input_dir, table), header=T, sep="\t") + all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, + "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, + "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), + "Adjusted p value" = all_enriched$p_value, check.names = FALSE) + all_enriched <- round_dataframe_columns(all_enriched, digits=params$round_digits) + print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast, " (check", table, "for more detail)"), rownames = FALSE))) + cat("\n") +} +``` + # Methods ```{r, echo=FALSE, results='asis', eval=params$study_type == 'maxquant'} diff --git a/conf/modules.config b/conf/modules.config index 8b3b66e7..1df47a6d 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -133,7 +133,7 @@ process { "--plotsd_method $params.proteus_plotsd_method", "--plotmv_loess $params.proteus_plotmv_loess", "--palette_name $params.proteus_palette_name", - "--round_digits $params.proteus_round_digits" + "--round_digits $params.round_digits" ].join(' ').trim() } } @@ -316,6 +316,53 @@ process { ].join(' ').trim() } } + withName: GOST { + publishDir = [ + [ + path: { "${params.outdir}/tables/gprofiler2/${meta.id}/" }, + mode: params.publish_dir_mode, + pattern: '*.tsv' + ], + [ + path: { "${params.outdir}/plots/gprofiler2/${meta.id}/" }, + mode: params.publish_dir_mode, + pattern: '*.{png,html}' + ], + [ + path: { "${params.outdir}/other/gprofiler2/${meta.id}/" }, + mode: params.publish_dir_mode, + pattern: '*.{rds,gmt}' + ], + [ + path: { "${params.outdir}/other/gprofiler2/" }, + mode: params.publish_dir_mode, + pattern: '*sessionInfo.log' + ] + ] + ext.args = { [ + "--contrast_variable \"${meta.variable}\"", + "--reference_level \"${meta.reference}\"", + "--target_level \"${meta.target}\"", + "--organism \"${params.gprofiler2_organism}\"", + "--significant \"${params.gprofiler2_significant}\"", + "--measure_underrepresentation \"${params.gprofiler2_measure_underrepresentation}\"", + "--correction_method \"${params.gprofiler2_correction_method}\"", + "--evcodes \"${params.gprofiler2_evcodes}\"", + "--sources \"${params.gprofiler2_sources}\"", + "--pval_threshold \"${params.gprofiler2_pval_threshold}\"", + "--domain_scope ${params.gprofiler2_domain_scope}", + "--min_diff \"${params.gprofiler2_min_diff}\"", + "--round_digits ${params.round_digits}", + "--enrich_colors \"${params.gprofiler2_enrich_colors}\"", + ((meta.blocking == null) ? '' : "--blocking_variables $meta.blocking"), + ((params.differential_feature_id_column == null) ? '' : "--de_id_column $params.differential_feature_id_column"), + ((params.gmt_file == null) ? '' : "--gmt_file $params.gprofiler2_gmt_file"), + ((params.gprofiler2_gost_id == null) ? '' : "--gost_id $params.gprofiler2_gost_id"), + ((params.gprofiler2_background_file == null) ? '' : "--background_file $params.gprofiler2_background_file"), + ((params.gprofiler2_background_column == null) ? '' : "--background_column $params.gprofiler2_background_column") + ].join(' ').trim() } + } + withName: PLOT_EXPLORATORY { publishDir = [ path: { "${params.outdir}/plots/exploratory" }, diff --git a/lib/WorkflowDifferentialabundance.groovy b/lib/WorkflowDifferentialabundance.groovy index 4acad311..0a26536c 100755 --- a/lib/WorkflowDifferentialabundance.groovy +++ b/lib/WorkflowDifferentialabundance.groovy @@ -50,13 +50,14 @@ class WorkflowDifferentialabundance { def citation_text = [ "Tools used in the workflow included:", params["study_type"] == 'affy_array' ? "affy (Gautier et al. 2004": "", - params["study_type"] == 'rnaseq' ? "DESeq2 (Love et al 2014)," : "", + params["study_type"] == 'rnaseq' ? "DESeq2 (Love et al. 2014)," : "", "ggplot2 (Wickham 2016)", "GEOQuery (Davis et al. 2007", - params["study_type"] != 'rnaseq' ? "Limma (Ritchie eta al 2015" : "", + params["study_type"] != 'rnaseq' ? "Limma (Ritchie et al. 2015" : "", "optparse (Davis 2018)", "plotly (Sievert 2020)", params["study_type"] != 'maxquant' ? "Proteus (Gierlinski 2018)" : "", + params["gprofiler2_run"] ? "gprofiler2 (Kolberg et al. 2020)" : "", "RColorBrewer (Neuwirth 2014)", "RMarkdown (Allaire et al. 2022)", "shinyngs (Manning 2022)", diff --git a/nextflow.config b/nextflow.config index 3912922d..45626097 100644 --- a/nextflow.config +++ b/nextflow.config @@ -64,7 +64,6 @@ params { proteus_plotsd_method = 'violin' proteus_plotmv_loess = true proteus_palette_name = 'Set1' - proteus_round_digits = -1 // Filtering options filtering_min_samples = 1 @@ -155,6 +154,24 @@ params { gsea_gene_sets = null + // gprofiler2 options + gprofiler2_run = false + gprofiler2_organism = null + gprofiler2_significant = true + gprofiler2_measure_underrepresentation = false + gprofiler2_correction_method= 'gSCS' + gprofiler2_sources = null + gprofiler2_evcodes = false + gprofiler2_pval_threshold = 0.05 + gprofiler2_gmt_file = null + gprofiler2_gost_id = null + gprofiler2_gmt_file = null + gprofiler2_background_file = null + gprofiler2_background_column= null + gprofiler2_domain_scope = 'annotated' + gprofiler2_min_diff = 1 + gprofiler2_enrich_colors = '#132B43,#56B1F7' + // ShinyNGS shinyngs_build_app = true shinyngs_guess_unlog_matrices = true @@ -166,6 +183,9 @@ params { shinyngs_shinyapps_account = null shinyngs_shinyapps_app_name = null + // Multi-module options + round_digits = 4 + // References genome = null igenomes_base = 's3://ngi-igenomes/igenomes' diff --git a/nextflow_schema.json b/nextflow_schema.json index e50f8e88..7be9a965 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -291,11 +291,6 @@ "help_text": "Check the content of `RColorBrewer::brewer.pal.info` from an R terminal for valid palette names.", "description": "Valid R palette name", "fa_icon": "fas fa-palette" - }, - "proteus_round_digits": { - "type": "number", - "default": -1, - "description": "Number of decimals to round the MaxQuant intensities to; default: -1 (will not round)." } } }, @@ -897,6 +892,20 @@ }, "fa_icon": "fab fa-app-store-ios" }, + "multi_module_settings": { + "title": "Multi module settings", + "type": "object", + "description": "These parameters affect multiple modules in the pipeline.", + "default": "", + "properties": { + "round_digits": { + "type": "integer", + "default": 4, + "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", + "help_text": "This affects output from the following modules (including their result sectionsin the report): proteus, gprofiler2." + } + } + }, "reporting_options": { "title": "Reporting options", "type": "object", @@ -1193,6 +1202,9 @@ { "$ref": "#/definitions/shiny_app_settings" }, + { + "$ref": "#/definitions/multi_module_settings" + }, { "$ref": "#/definitions/reporting_options" }, diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 381c8085..f9f0bdaf 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -116,6 +116,7 @@ include { LIMMA_DIFFERENTIAL } from '../modules/n include { CUSTOM_MATRIXFILTER } from '../modules/nf-core/custom/matrixfilter/main' include { ATLASGENEANNOTATIONMANIPULATION_GTF2FEATUREANNOTATION as GTF_TO_TABLE } from '../modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/main' include { GSEA_GSEA } from '../modules/nf-core/gsea/gsea/main' +include { GPROFILER2_GOST as GOST } from '../modules/nf-core/gprofiler2/gost/main' include { CUSTOM_TABULARTOGSEAGCT } from '../modules/nf-core/custom/tabulartogseagct/main' include { CUSTOM_TABULARTOGSEACLS } from '../modules/nf-core/custom/tabulartogseacls/main' include { RMARKDOWNNOTEBOOK } from '../modules/nf-core/rmarkdownnotebook/main' @@ -449,6 +450,29 @@ workflow DIFFERENTIALABUNDANCE { .mix(GSEA_GSEA.out.versions) } + if (params.gprofiler2_run) { + if (!params.gprofiler2_background_file) { + // If param not set, use empty list as "background" + ch_background = [] + } else if (params.gprofiler2_background_file == "auto") { + // If auto, use input matrix as background + if(params.study_type == "geo_soft_file") { + ch_background = ch_norm.map{it.tail()} + } else { + ch_background = ch_raw.map{it.tail()} + } + } else { + if (!file(params.gprofiler2_background_file).exists()) { + error("Param gprofiler2_background_file must be null, 'auto' or valid file path!") + } + ch_background = Channel.fromPath(params.gprofiler2_background) + } + + GOST( + ch_differential, + ch_background + ) + } // The exploratory plots are made by coloring by every unique variable used // to define contrasts @@ -525,6 +549,13 @@ workflow DIFFERENTIALABUNDANCE { ) } + if (params.gprofiler2_run){ + ch_report_input_files = ch_report_input_files + .combine(GOST.out.plot_html.map{it[1]}.flatMap().toList()) + .combine(GOST.out.all_enrich.map{it[1]}.flatMap().toList()) + .combine(GOST.out.sub_enrich.map{it[1]}.flatMap().toList()) + } + if (params.shinyngs_build_app){ // Make (and optionally deploy) the shinyngs app @@ -559,12 +590,12 @@ workflow DIFFERENTIALABUNDANCE { // Condition params reported on study type - def params_pattern = ~/^(report|study|observations|features|filtering|exploratory|differential|deseq2|gsea).*/ + def params_pattern = ~/^(report|study|observations|features|filtering|exploratory|differential|deseq2|gsea|gprofiler2|round_digits).*/ if (params.study_type == 'affy_array' || params.study_type == 'geo_soft_file'){ - params_pattern = ~/^(report|study|observations|features|filtering|exploratory|differential|affy|limma|gsea).*/ + params_pattern = ~/^(report|study|observations|features|filtering|exploratory|differential|affy|limma|gsea|round_digits).*/ } if (params.study_type == 'maxquant'){ - params_pattern = ~/^(report|study|observations|features|filtering|exploratory|differential|proteus|affy|limma|gsea).*/ + params_pattern = ~/^(report|study|observations|features|filtering|exploratory|differential|proteus|affy|limma|gsea|round_digits).*/ } ch_report_params = ch_report_input_files @@ -577,8 +608,8 @@ workflow DIFFERENTIALABUNDANCE { RMARKDOWNNOTEBOOK( ch_report_file, - ch_report_params, - ch_report_input_files + ch_report_params.dump(tag:'report_params'), + ch_report_input_files.dump(tag:'ch_report_input_files') ) // Make a report bundle comprising the markdown document and all necessary From 1b891c52d8eb8e583cbcd308775f8a088bd420a3 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 7 Nov 2023 12:56:10 +0100 Subject: [PATCH 002/168] Param rename, reordered Citations, changed gprofiler2 report heading, added report text if no enrichment found, added gprofiler2 params to report and nextflow schema --- CITATIONS.md | 8 +- assets/differentialabundance_report.Rmd | 69 ++++++++++-------- conf/modules.config | 10 +-- nextflow.config | 6 +- nextflow_schema.json | 97 +++++++++++++++++++++++++ workflows/differentialabundance.nf | 16 +++- 6 files changed, 160 insertions(+), 46 deletions(-) diff --git a/CITATIONS.md b/CITATIONS.md index bafe71d5..404d2ad8 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -24,6 +24,10 @@ > Love MI, Huber W, Anders S (2014). Moderated estimation of fold change and dispersion for RNA-seq data with DESeq2. Genome Biol. 15(12):550. PubMed PMID: 25516281; PubMed Central PMCID: PMC4302049. +- [GEOQuery](https://pubmed.ncbi.nlm.nih.gov/17496320/) + + > Davis S, Meltzer PS. Geoquery: a bridge between the gene expression omnibus (Geo) and bioconductor. Bioinformatics. 2007;23(14):1846-1847. + - [ggplot2](https://cran.r-project.org/web/packages/ggplot2/index.html) > H. Wickham (2016). ggplot2: Elegant Graphics for Data Analysis. Springer-Verlag New York. @@ -32,10 +36,6 @@ > Kolberg L, Raudvere U, Kuzmin I, Vilo J, Peterson H (2020). “gprofiler2– an R package for gene list functional enrichment analysis and namespace conversion toolset g:Profiler.” F1000Research, 9 (ELIXIR)(709). R package version 0.2.2. -- [GEOQuery](https://pubmed.ncbi.nlm.nih.gov/17496320/) - - > Davis S, Meltzer PS. Geoquery: a bridge between the gene expression omnibus (Geo) and bioconductor. Bioinformatics. 2007;23(14):1846-1847. - - [Limma](https://pubmed.ncbi.nlm.nih.gov/25605792/) > Ritchie ME, Phipson B, Wu D, et al. Limma powers differential expression analyses for rna-sequencing and microarray studies. Nucleic Acids Res. 2015;43(7):e47. diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index b3da9089..83a5a02e 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -142,14 +142,14 @@ params: gprofiler2_correction_method: NULL gprofiler2_sources: NULL gprofiler2_evcodes: NULL - gprofiler2_pval_threshold: NULL + gprofiler2_max_qval: NULL gprofiler2_gmt_file: NULL - gprofiler2_gost_id: NULL + gprofiler2_gost_token: NULL gprofiler2_background_file: NULL gprofiler2_background_column: NULL gprofiler2_domain_scope: NULL gprofiler2_min_diff: NULL - gprofiler2_enrich_colors: NULL + gprofiler2_palette_name: NULL round_digits: NULL --- @@ -836,17 +836,17 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ for (gene_set_method in possible_gene_set_methods){ if (unlist(params[paste0(gene_set_method, '_run')])){ - cat("\n### ", toupper(gene_set_method) ," {.tabset}\n") + cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") for (gmt_file in simpleSplit(params$gsea_gene_sets)) { gmt_name <- basename(tools::file_path_sans_ext(gmt_file)) - cat("\n#### ", gmt_name ," {.tabset}\n") + cat("\n##### ", gmt_name ," {.tabset}\n") reference_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$reference, '.tsv') target_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$target, '.tsv') for (i in 1:nrow(contrasts)){ - cat("\n##### ", contrast_descriptions[i], "\n") + cat("\n###### ", contrast_descriptions[i], "\n") target_gsea_results <- read_metadata(target_gsea_tables[i])[,c(-2,-3)] print( htmltools::tagList(datatable(target_gsea_results, caption = paste0("\nTarget (", contrasts$target[i], ")\n"), rownames = FALSE) )) @@ -862,30 +862,35 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ ```{r, echo=FALSE, results='asis', eval=params$gprofiler2_run} enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) -cat(paste0("\n## Pathway enrichment analysis {.tabset}")) -cat(paste0("\nThis section contains the results of the pathway analysis which was done with the R package gprofiler2. The plots show the -log10 adjusted p values of each pathway which was found to be enriched for differential genes (if necessary determined by converting feature IDs to gene IDs); if possible, pathways are grouped by their source database. The tables below give additional info for each pathway; the differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.\n")) - -for (html in rev(grep(".html", enrichment_files, value=T, fixed=T))) { - contrast <- unlist(strsplit(html, "gprofiler2.", fixed=T))[2] - contrast <- unlist(strsplit(contrast, ".gostplot", fixed=T))[1] - if (! file.exists(file.path(params$input_dir, html))){ - stop(paste("Gprofiler2 gost plot", file.path(params$input_dir, html), "does not exist")) - } - cat(paste0("\n### ", contrast, "\n")) - cat(paste0('')) +cat(paste0("\n### Pathway enrichment analysis {.tabset}")) +if (length(grep(".html", enrichment_files, fixed=T))) { + cat(paste0("\nThis section contains the results of the pathway analysis which was done with the R package gprofiler2. The plots show the -log10 adjusted p values of each pathway which was found to be enriched for differential genes (if necessary determined by converting feature IDs to gene IDs); if possible, pathways are grouped by their source database. The tables below give additional info for each pathway; the differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", + ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <=", params$gprofiler2_max_qval, "."), ""), "\n")) + + for (html in rev(grep(".html", enrichment_files, value=T, fixed=T))) { + contrast <- unlist(strsplit(html, "gprofiler2.", fixed=T))[2] + contrast <- unlist(strsplit(contrast, ".gostplot", fixed=T))[1] + if (! file.exists(file.path(params$input_dir, html))){ + stop(paste("gprofiler2 gost plot", file.path(params$input_dir, html), "does not exist")) + } + cat(paste0("\n#### ", contrast, "\n")) + cat(paste0('')) - table <- paste0("gprofiler2.", contrast, ".all_enriched_pathways.tsv") - if (! file.exists(file.path(params$input_dir, table))){ - stop(paste("Gprofiler2 enrichment table", file.path(params$input_dir, table), "does not exist")) + table <- paste0("gprofiler2.", contrast, ".all_enriched_pathways.tsv") + if (! file.exists(file.path(params$input_dir, table))){ + stop(paste("gprofiler2 enrichment table", file.path(params$input_dir, table), "does not exist")) + } + all_enriched <- read.table(file.path(params$input_dir, table), header=T, sep="\t") + all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, + "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, + "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), + "Adjusted p value" = all_enriched$p_value, check.names = FALSE) + all_enriched <- round_dataframe_columns(all_enriched, digits=params$round_digits) + print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast, " (check", table, "for more detail)"), rownames = FALSE))) + cat("\n") } - all_enriched <- read.table(file.path(params$input_dir, table), header=T, sep="\t") - all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, - "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, - "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), - "Adjusted p value" = all_enriched$p_value, check.names = FALSE) - all_enriched <- round_dataframe_columns(all_enriched, digits=params$round_digits) - print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast, " (check", table, "for more detail)"), rownames = FALSE))) - cat("\n") +} else { + cat(paste0("\nPathway analysis which was done with the R package gprofiler2. No enriched pathways were found.")) } ``` @@ -946,7 +951,7 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ for (gene_set_method in possible_gene_set_methods){ if (unlist(params[paste0(gene_set_method, '_run')])){ - cat("\n### ", toupper(gene_set_method) ," {.tabset}\n") + cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") make_params_table(toupper(gene_set_method), paste0(gene_set_method, '_'), remove_pattern = TRUE) } } @@ -954,6 +959,12 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ } ``` +```{r, echo=FALSE, results='asis', eval=params$gprofiler2_run} +cat("\n### Pathway enrichment analysis\n") +cat("\n#### gprofiler2\n") +make_params_table("gprofiler2", 'gprofiler2_', remove_pattern = TRUE) +``` + # Appendices ## All parameters diff --git a/conf/modules.config b/conf/modules.config index 1df47a6d..f00a8c0f 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -340,25 +340,21 @@ process { ] ] ext.args = { [ - "--contrast_variable \"${meta.variable}\"", - "--reference_level \"${meta.reference}\"", - "--target_level \"${meta.target}\"", "--organism \"${params.gprofiler2_organism}\"", "--significant \"${params.gprofiler2_significant}\"", "--measure_underrepresentation \"${params.gprofiler2_measure_underrepresentation}\"", "--correction_method \"${params.gprofiler2_correction_method}\"", "--evcodes \"${params.gprofiler2_evcodes}\"", "--sources \"${params.gprofiler2_sources}\"", - "--pval_threshold \"${params.gprofiler2_pval_threshold}\"", + "--pval_threshold \"${params.gprofiler2_max_qval}\"", "--domain_scope ${params.gprofiler2_domain_scope}", "--min_diff \"${params.gprofiler2_min_diff}\"", "--round_digits ${params.round_digits}", - "--enrich_colors \"${params.gprofiler2_enrich_colors}\"", + "--palette_name \"${params.gprofiler2_palette_name}\"", ((meta.blocking == null) ? '' : "--blocking_variables $meta.blocking"), ((params.differential_feature_id_column == null) ? '' : "--de_id_column $params.differential_feature_id_column"), ((params.gmt_file == null) ? '' : "--gmt_file $params.gprofiler2_gmt_file"), - ((params.gprofiler2_gost_id == null) ? '' : "--gost_id $params.gprofiler2_gost_id"), - ((params.gprofiler2_background_file == null) ? '' : "--background_file $params.gprofiler2_background_file"), + ((params.gprofiler2_gost_token == null) ? '' : "--gost_token $params.gprofiler2_gost_token"), ((params.gprofiler2_background_column == null) ? '' : "--background_column $params.gprofiler2_background_column") ].join(' ').trim() } } diff --git a/nextflow.config b/nextflow.config index 572e3d59..56d7bc86 100644 --- a/nextflow.config +++ b/nextflow.config @@ -162,15 +162,15 @@ params { gprofiler2_correction_method= 'gSCS' gprofiler2_sources = null gprofiler2_evcodes = false - gprofiler2_pval_threshold = 0.05 + gprofiler2_max_qval = 0.05 gprofiler2_gmt_file = null - gprofiler2_gost_id = null + gprofiler2_gost_token = null gprofiler2_gmt_file = null gprofiler2_background_file = null gprofiler2_background_column= null gprofiler2_domain_scope = 'annotated' gprofiler2_min_diff = 1 - gprofiler2_enrich_colors = '#132B43,#56B1F7' + gprofiler2_palette_name = 'Blues' // ShinyNGS shinyngs_build_app = true diff --git a/nextflow_schema.json b/nextflow_schema.json index 7be9a965..b327212b 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -853,6 +853,100 @@ }, "fa_icon": "fas fa-layer-group" }, + "gprofiler2": { + "title": "gprofiler2", + "type": "object", + "description": "", + "default": "", + "properties": { + "gprofiler2_run": { + "type": "boolean", + "description": "Set to run gprofiler2 and do a pathway enrichment analysis.", + "fa_icon": "fas fa-running" + }, + "gprofiler2_organism": { + "type": "string", + "description": "Short name of the organism that is analyzed, e.g. hsapiens for homo sapiens.", + "help_text": "Set this to the short organism name consisting of the first letter of the genus and the full species name, e.g. hsapiens for Homo sapiens, mmusculus for Mus musculus." + }, + "gprofiler2_significant": { + "type": "boolean", + "default": true, + "description": "Should only significant enrichment results be considered?", + "help_text": "Default true; if false, will consider all enrichment results regardless of significance.", + }, + "gprofiler2_measure_underrepresentation": { + "type": "boolean", + "default": false, + "description": "Should underrepresentation be measured instead of overrepresentation?", + "help_text": "Default false; if true, will measure overrepresentation." + }, + "gprofiler2_correction_method": { + "type": "string", + "description": "The method that should be used for multiple testing correction.", + "help_text": "One of gSCS (synonyms: analytical, g_SCS), fdr (synonyms: false_discovery_rate), bonferroni.", + "enum": ["gSCS", "analytical", "g_SCS", "fdr", "false_discovery_rate", "bonferroni"] + }, + "gprofiler2_sources": { + "type": "string", + "description": "On which source databases to run the gprofiler query.", + "help_text": "One of gSCS (synonyms: analytical, g_SCS), fdr (synonyms: false_discovery_rate), bonferroni.", + "enum": ["gSCS", "analytical", "g_SCS", "fdr", "false_discovery_rate", "bonferroni"] + }, + "gprofiler2_evcodes": { + "type": "boolean", + "default": false, + "description": "Whether to include evcodes in the results.", + "help_text": "This can decrease performance and make the query slower. See https://rdrr.io/cran/gprofiler2/man/gost.html", + }, + "gprofiler2_max_qval": { + "type": "number", + "default": 0.05, + "description": "Maximum q value used for significance testing." + }, + "gprofiler2_gmt_file": { + "type": "string", + "format": "file-path", + "pattern": "^\\S+\\.(gmt)$", + "description": "Path to GMT file that should be used as a query.", + "help_text": "For reproducibility, instead of querying the online databases, you can provide a GMT file, e.g. from a previous pipeline run or one you downloaded from https://biit.cs.ut.ee/gprofiler/gost." + }, + "gprofiler2_gost_token": { + "type": "string", + "description": "Token that should be used as a query.", + "help_text": "For reproducibility, instead of querying the online databases, you can provide a token, e.g. from a previous pipeline run or from a manual query on https://biit.cs.ut.ee/gprofiler/gost." + }, + "gprofiler2_background_file": { + "type": "string", + "pattern": "^\\S+\\.(csv|tsv|txt)$|auto|null", + "description": "Path to CSV/TSV/TXT file that should be used as a background for the query; alternatively, 'auto'.", + "help_text": "It is advisable to run pathway analysis with a set of background genes describing which genes exist in the target organism in the first place so that other genes are not at all considered. You can provide a CSV/TSV table where one column contains gene IDs and the other rows contain abundance values, or a TXT file that simply contains one gene ID per line. Alternatively, you can set this parameter to 'auto'; in that case, the input abundance matrix will be used. If a matrix is used, all genes will be considered which had at least some abundance (i.e. sum of all abundance values in a row > 0)." + }, + "gprofiler2_background_column": { + "type": "string", + "description": "Which column to use as gene IDs in the background matrix.", + "help_text": "If a background matrix is provided but this parameter is not set, will assume that the first matrix column contains the IDs." + }, + "gprofiler2_domain_scope": { + "type": "string", + "default": "annotated", + "description": "How to calculate the statistical domain size.", + "help_text": "One of annotated (default), known, custom or custom_annotated; see https://rdrr.io/cran/gprofiler2/man/gost.html", + "enum": ["annotated", "known", "custom", "custom_annotated"] + }, + "gprofiler2_min_diff": { + "type": "integer", + "default": 1, + "description": "How many genes must be differentially expressed in a pathway for it to be considered enriched? Default 1." + }, + "gprofiler2_palette_name": { + "type": "string", + "default": "Blues", + "description": "Valid R palette name", + "help_text": "Check the content of `RColorBrewer::brewer.pal.info` from an R terminal for valid palette names." + } + } + }, "shiny_app_settings": { "title": "Shiny app settings", "type": "object", @@ -1199,6 +1293,9 @@ { "$ref": "#/definitions/gsea" }, + { + "$ref": "#/definitions/gprofiler2" + }, { "$ref": "#/definitions/shiny_app_settings" }, diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index f9f0bdaf..505ab433 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -73,6 +73,14 @@ if (params.gsea_run) { error("GSEA activated but gene set file not specified!") } } +if (params.gprofiler2_run) { + if (!params.gprofiler2_organism){ + error("gprofiler2 pathway analysis activated but organism not specified!") + } + if (!params.gprofiler2_sources){ + error("gprofiler2 pathway analysis activated but sources not specified!") + } +} report_file = file(params.report_file, checkIfExists: true) logo_file = file(params.logo_file, checkIfExists: true) @@ -465,10 +473,11 @@ workflow DIFFERENTIALABUNDANCE { if (!file(params.gprofiler2_background_file).exists()) { error("Param gprofiler2_background_file must be null, 'auto' or valid file path!") } - ch_background = Channel.fromPath(params.gprofiler2_background) + ch_background = Channel.fromPath(params.gprofiler2_background_file) } GOST( + ch_contrasts, ch_differential, ch_background ) @@ -554,6 +563,7 @@ workflow DIFFERENTIALABUNDANCE { .combine(GOST.out.plot_html.map{it[1]}.flatMap().toList()) .combine(GOST.out.all_enrich.map{it[1]}.flatMap().toList()) .combine(GOST.out.sub_enrich.map{it[1]}.flatMap().toList()) + GOST.out.plot_html } if (params.shinyngs_build_app){ @@ -608,8 +618,8 @@ workflow DIFFERENTIALABUNDANCE { RMARKDOWNNOTEBOOK( ch_report_file, - ch_report_params.dump(tag:'report_params'), - ch_report_input_files.dump(tag:'ch_report_input_files') + ch_report_params, + ch_report_input_files ) // Make a report bundle comprising the markdown document and all necessary From dbb7355ba1752bed5f6297d077c96e184b24cb38 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 7 Nov 2023 14:41:53 +0100 Subject: [PATCH 003/168] Added docs entry for gprofiler --- docs/usage.md | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/docs/usage.md b/docs/usage.md index 9f998cbc..19a06faf 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -246,6 +246,18 @@ With this configuration in place deployment should happen automatically every ti There is also a [Shiny server application](https://posit.co/download/shiny-server/), which you can install on your own infrastruture and use to host applications yourself. +## Pathway enrichment analysis + +Currently, the [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gprofiler2.html) package can be used to test which pathways are enriched for genes that have been determined to be differentially expressed. In the simplest form, this feature can be enabled with the parameters from the following example: + +```bash +--gprofiler2_run true \ +--gprofiler2_organism mmusculus \ +--gprofiler2_sources 'KEGG,GO' +``` + +Both the organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) and the source databases (any comma-separated combination of the databases supported by g:profiler) are required. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for optional parameters for this step. + ## Running the pipeline The typical command for running the pipeline is as follows: From a0797b7c834e79614aee4ea4e9e9ca10b8c4e1c6 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 8 Nov 2023 14:11:29 +0100 Subject: [PATCH 004/168] Corrected some entries in the schema --- nextflow_schema.json | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index b327212b..057e1fe7 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -873,7 +873,7 @@ "type": "boolean", "default": true, "description": "Should only significant enrichment results be considered?", - "help_text": "Default true; if false, will consider all enrichment results regardless of significance.", + "help_text": "Default true; if false, will consider all enrichment results regardless of significance." }, "gprofiler2_measure_underrepresentation": { "type": "boolean", @@ -890,14 +890,13 @@ "gprofiler2_sources": { "type": "string", "description": "On which source databases to run the gprofiler query.", - "help_text": "One of gSCS (synonyms: analytical, g_SCS), fdr (synonyms: false_discovery_rate), bonferroni.", - "enum": ["gSCS", "analytical", "g_SCS", "fdr", "false_discovery_rate", "bonferroni"] + "help_text": "GO, GO:MF, GO:BP, GO:CC, KEGG, REAC, WP, TF, MIRNA, HPA, CORUM, HP, or any comma-reparated combination thereof, e.g. 'KEGG,REAC'." }, "gprofiler2_evcodes": { "type": "boolean", "default": false, "description": "Whether to include evcodes in the results.", - "help_text": "This can decrease performance and make the query slower. See https://rdrr.io/cran/gprofiler2/man/gost.html", + "help_text": "This can decrease performance and make the query slower. See https://rdrr.io/cran/gprofiler2/man/gost.html" }, "gprofiler2_max_qval": { "type": "number", From 0af6ce182e7dffc4144f284f37ad2ba5e6888f13 Mon Sep 17 00:00:00 2001 From: WackerO Date: Mon, 13 Nov 2023 12:09:51 +0100 Subject: [PATCH 005/168] integrated module changes --- conf/modules.config | 3 --- workflows/differentialabundance.nf | 8 ++++++++ 2 files changed, 8 insertions(+), 3 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index f00a8c0f..34d82e92 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -340,12 +340,10 @@ process { ] ] ext.args = { [ - "--organism \"${params.gprofiler2_organism}\"", "--significant \"${params.gprofiler2_significant}\"", "--measure_underrepresentation \"${params.gprofiler2_measure_underrepresentation}\"", "--correction_method \"${params.gprofiler2_correction_method}\"", "--evcodes \"${params.gprofiler2_evcodes}\"", - "--sources \"${params.gprofiler2_sources}\"", "--pval_threshold \"${params.gprofiler2_max_qval}\"", "--domain_scope ${params.gprofiler2_domain_scope}", "--min_diff \"${params.gprofiler2_min_diff}\"", @@ -353,7 +351,6 @@ process { "--palette_name \"${params.gprofiler2_palette_name}\"", ((meta.blocking == null) ? '' : "--blocking_variables $meta.blocking"), ((params.differential_feature_id_column == null) ? '' : "--de_id_column $params.differential_feature_id_column"), - ((params.gmt_file == null) ? '' : "--gmt_file $params.gprofiler2_gmt_file"), ((params.gprofiler2_gost_token == null) ? '' : "--gost_token $params.gprofiler2_gost_token"), ((params.gprofiler2_background_column == null) ? '' : "--background_column $params.gprofiler2_background_column") ].join(' ').trim() } diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 505ab433..6075d50f 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -459,6 +459,7 @@ workflow DIFFERENTIALABUNDANCE { } if (params.gprofiler2_run) { + ch_org_source = Channel.from(tuple(params.organism, params.sources)) if (!params.gprofiler2_background_file) { // If param not set, use empty list as "background" ch_background = [] @@ -475,10 +476,17 @@ workflow DIFFERENTIALABUNDANCE { } ch_background = Channel.fromPath(params.gprofiler2_background_file) } + if (!params.gprofiler2_gmt) { + ch_gmt = [] + } else { + ch_gmt = Channel.fromPath(params.gprofiler2_gmt) + } GOST( ch_contrasts, ch_differential, + ch_org_source, + ch_gmt, ch_background ) } From 8ae788ff48becd0b1eea594fb5c81e0c568cafc0 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 14 Nov 2023 14:58:11 +0100 Subject: [PATCH 006/168] Added PI and contact params for report; added newline between report author and workflow version --- assets/differentialabundance_report.Rmd | 49 ++++++++++++++- nextflow.config | 18 ++++++ nextflow_schema.json | 80 +++++++++++++++++++++++++ 3 files changed, 146 insertions(+), 1 deletion(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index e5d992f5..53e199c1 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -22,6 +22,22 @@ params: study_abundance_type: NULL report_file: NULL, report_title: NULL, + report_pi_name: NULL + report_pi_email: NULL + report_pi_address1: NULL + report_pi_address2: NULL + report_pi_address3: NULL + report_pi_address4: NULL + report_pi_address5: NULL + report_pi_address6: NULL + report_contact_name: NULL + report_contact_email: NULL + report_contact_address1: NULL + report_contact_address2: NULL + report_contact_address3: NULL + report_contact_address4: NULL + report_contact_address5: NULL + report_contact_address6: NULL report_author: NULL, report_description: NULL, report_scree: NULL @@ -178,13 +194,44 @@ make_params_table <- function(name, pattern = NULL, remove_pattern = FALSE){ } report_title <- paste0('Differential ', params$features_type, ' abundance report', ifelse(is.null(params$report_title), '', paste0(': ', params$report_title))) -report_subtitle <- paste0(ifelse(is.null(params$report_author), '', paste0('By ', params$report_author, ', ')), 'differentialabundance workflow version', versions[["Workflow.nf-core/differentialabundance"]]) +report_subtitle <- paste0(ifelse(is.null(params$report_author), '', paste0('By ', params$report_author, ', ')), '
differentialabundance workflow version', versions[["Workflow.nf-core/differentialabundance"]]) ``` --- title: "`r report_title`" subtitle: `r report_subtitle` --- +\ + +```{r, results='asis', echo=F, eval=T} +if (!is.null(params$report_pi_name)) { + cat(paste0("**Project Members**: \n")) + cat(paste0((params$report_pi_name))) +} +# Add further PI info only if name was provided +if (!is.null(params$report_pi_name) & !is.null(params$report_pi_email)) { cat(paste0( " \n", params$report_pi_email )) } +if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address1)) { cat(paste0( " \n", params$report_pi_address1 )) } +if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address2)) { cat(paste0( " \n", params$report_pi_address2 )) } +if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address3)) { cat(paste0( " \n", params$report_pi_address3 )) } +if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address4)) { cat(paste0( " \n", params$report_pi_address4 )) } +if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address5)) { cat(paste0( " \n", params$report_pi_address5 )) } +if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address6)) { cat(paste0( " \n", params$report_pi_address6 )) } +if (!is.null(params$report_pi_name)) { cat(paste0( "

" )) } + +if (!is.null(params$report_contact_name)) { + cat(paste0("**Contact persons**: \n")) + cat(paste0((params$report_contact_name))) +} +# Add further contact info only if name was provided +if (!is.null(params$report_contact_name) & !is.null(params$report_contact_email)) { cat(paste0( " \n", params$report_contact_email )) } +if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address1)) { cat(paste0( " \n", params$report_contact_address1 )) } +if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address2)) { cat(paste0( " \n", params$report_contact_address2 )) } +if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address3)) { cat(paste0( " \n", params$report_contact_address3 )) } +if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address4)) { cat(paste0( " \n", params$report_contact_address4 )) } +if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address5)) { cat(paste0( " \n", params$report_contact_address5 )) } +if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address6)) { cat(paste0( " \n", params$report_contact_address6 )) } +if (!is.null(params$report_contact_name)) { cat(paste0( "

" )) } +``` diff --git a/nextflow.config b/nextflow.config index 12d92348..4a8382e6 100644 --- a/nextflow.config +++ b/nextflow.config @@ -28,6 +28,24 @@ params { report_title = null report_author = null report_description = null + report_pi_name = null + report_pi_name = null + report_pi_email = null + report_pi_address1 = null + report_pi_address2 = null + report_pi_address3 = null + report_pi_address4 = null + report_pi_address5 = null + report_pi_address6 = null + report_contact_name = null + report_contact_email = null + report_contact_address1 = null + report_contact_address2 = null + report_contact_address3 = null + report_contact_address4 = null + report_contact_address5 = null + report_contact_address6 = null + report_description = null report_scree = true // Sample sheet options diff --git a/nextflow_schema.json b/nextflow_schema.json index 6cc34ede..717a36ba 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -947,6 +947,86 @@ "fa_icon": "fas fa-user-edit", "description": "An author for reporting outputs" }, + "report_pi_name": { + "type": "string", + "default": "None", + "description": "A PI for reporting outputs" + }, + "report_pi_email": { + "type": "string", + "default": "None", + "description": "A PI email address for reporting outputs" + }, + "report_pi_address1": { + "type": "string", + "default": "None", + "description": "First PI address part (e.g. institute name) for reporting outputs" + }, + "report_pi_address2": { + "type": "string", + "default": "None", + "description": "Second PI address part (e.g. university name) for reporting outputs" + }, + "report_pi_address3": { + "type": "string", + "default": "None", + "description": "Third PI address part (e.g. street name) for reporting outputs" + }, + "report_pi_address4": { + "type": "string", + "default": "None", + "description": "Fourth PI address part (e.g. postal code + city name) for reporting outputs" + }, + "report_pi_address5": { + "type": "string", + "default": "None", + "description": "Fifth PI address part (e.g. country name) for reporting outputs" + }, + "report_pi_address6": { + "type": "string", + "default": "None", + "description": "Sixth PI address part (if necessary) for reporting outputs" + }, + "report_contact_name": { + "type": "string", + "default": "None", + "description": "A contact for reporting outputs" + }, + "report_contact_email": { + "type": "string", + "default": "None", + "description": "A contact email address for reporting outputs" + }, + "report_contact_address1": { + "type": "string", + "default": "None", + "description": "First contact address part (e.g. institute name) for reporting outputs" + }, + "report_contact_address2": { + "type": "string", + "default": "None", + "description": "Second contact address part (e.g. university name) for reporting outputs" + }, + "report_contact_address3": { + "type": "string", + "default": "None", + "description": "Third contact address part (e.g. street name) for reporting outputs" + }, + "report_contact_address4": { + "type": "string", + "default": "None", + "description": "Fourth contact address part (e.g. postal code + city name) for reporting outputs" + }, + "report_contact_address5": { + "type": "string", + "default": "None", + "description": "Fifth contact address part (e.g. country name) for reporting outputs" + }, + "report_contact_address6": { + "type": "string", + "default": "None", + "description": "Sixth contact address part (if necessary) for reporting outputs" + }, "report_description": { "type": "string", "default": "None", From f7e2f7efe53d7918ed8eb07af0c15ca924256fbf Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 16 Nov 2023 13:55:26 +0100 Subject: [PATCH 007/168] Newly installed gprofiler2 module, enabled it in full test --- conf/test_full.config | 5 +++++ modules.json | 5 +++++ nextflow.config | 32 +++++++++++++++--------------- workflows/differentialabundance.nf | 2 +- 4 files changed, 27 insertions(+), 17 deletions(-) diff --git a/conf/test_full.config b/conf/test_full.config index cbd8e212..0591a4d0 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -35,4 +35,9 @@ params { // Activate GSEA gsea_run = true gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' + + // Activate gprofiler2 + gprofiler2_run = true + gprofiler2_organism = mmusculus + gprofiler2_sources = 'KEGG,REAC' } diff --git a/modules.json b/modules.json index 98294844..2c662390 100644 --- a/modules.json +++ b/modules.json @@ -45,6 +45,11 @@ "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", "installed_by": ["modules"] }, + "gprofiler2/gost": { + "branch": "master", + "git_sha": "6b99d8588189292186a12d28ee6746bc72be30d1", + "installed_by": ["modules"] + }, "gsea/gsea": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", diff --git a/nextflow.config b/nextflow.config index 56d7bc86..e7f24550 100644 --- a/nextflow.config +++ b/nextflow.config @@ -155,22 +155,22 @@ params { gsea_gene_sets = null // gprofiler2 options - gprofiler2_run = false - gprofiler2_organism = null - gprofiler2_significant = true - gprofiler2_measure_underrepresentation = false - gprofiler2_correction_method= 'gSCS' - gprofiler2_sources = null - gprofiler2_evcodes = false - gprofiler2_max_qval = 0.05 - gprofiler2_gmt_file = null - gprofiler2_gost_token = null - gprofiler2_gmt_file = null - gprofiler2_background_file = null - gprofiler2_background_column= null - gprofiler2_domain_scope = 'annotated' - gprofiler2_min_diff = 1 - gprofiler2_palette_name = 'Blues' + gprofiler2_run = false + gprofiler2_organism = null + gprofiler2_significant = true + gprofiler2_measure_underrepresentation = false + gprofiler2_correction_method = 'gSCS' + gprofiler2_sources = null + gprofiler2_evcodes = false + gprofiler2_max_qval = 0.05 + gprofiler2_gmt_file = null + gprofiler2_gost_token = null + gprofiler2_gmt_file = null + gprofiler2_background_file = null + gprofiler2_background_column = null + gprofiler2_domain_scope = 'annotated' + gprofiler2_min_diff = 1 + gprofiler2_palette_name = 'Blues' // ShinyNGS shinyngs_build_app = true diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 6075d50f..1012a3a7 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -459,7 +459,7 @@ workflow DIFFERENTIALABUNDANCE { } if (params.gprofiler2_run) { - ch_org_source = Channel.from(tuple(params.organism, params.sources)) + ch_org_source = Channel.of([ params.gprofiler2_organism, params.gprofiler2_sources ]) if (!params.gprofiler2_background_file) { // If param not set, use empty list as "background" ch_background = [] From c7b93fc1d1c05f73eb1313a1c5cf84bbf85fedc8 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 16 Nov 2023 14:03:38 +0100 Subject: [PATCH 008/168] added gprofiler to git --- .../nf-core/gprofiler2/gost/environment.yml | 7 + modules/nf-core/gprofiler2/gost/main.nf | 33 ++ modules/nf-core/gprofiler2/gost/meta.yml | 110 +++++ .../gost/templates/gprofiler2_gost.R | 449 ++++++++++++++++++ 4 files changed, 599 insertions(+) create mode 100644 modules/nf-core/gprofiler2/gost/environment.yml create mode 100644 modules/nf-core/gprofiler2/gost/main.nf create mode 100644 modules/nf-core/gprofiler2/gost/meta.yml create mode 100644 modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R diff --git a/modules/nf-core/gprofiler2/gost/environment.yml b/modules/nf-core/gprofiler2/gost/environment.yml new file mode 100644 index 00000000..00d47d52 --- /dev/null +++ b/modules/nf-core/gprofiler2/gost/environment.yml @@ -0,0 +1,7 @@ +channels: + - conda-forge + - bioconda + - defaults +dependencies: + - conda-forge::r-ggplot2=3.4.3 + - conda-forge::r-gprofiler2=0.2.2 diff --git a/modules/nf-core/gprofiler2/gost/main.nf b/modules/nf-core/gprofiler2/gost/main.nf new file mode 100644 index 00000000..abef7105 --- /dev/null +++ b/modules/nf-core/gprofiler2/gost/main.nf @@ -0,0 +1,33 @@ +process GPROFILER2_GOST { + tag "$meta" + label 'process_single' + + conda "${moduleDir}/environment.yml" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/mulled-v2-3712554873398d849d0d11b22440f41febbc4ede:aa19bb8afc0ec6456a4f3cd650f7577c3bbdd4f3-0': + 'biocontainers/mulled-v2-3712554873398d849d0d11b22440f41febbc4ede:aa19bb8afc0ec6456a4f3cd650f7577c3bbdd4f3-0' }" + + input: + tuple val(meta), val(contrast_variable), val(reference), val(target) + tuple val(meta1), path(de_file) + tuple val(organism), val(sources) + path(gmt_file) + path(background_file) + + output: + tuple val(meta), path("*gprofiler2.*all_enriched_pathways.tsv") , emit: all_enrich + tuple val(meta), path("*gprofiler2.*gost_results.rds") , emit: rds , optional: true + tuple val(meta), path("*gprofiler2.*gostplot.png") , emit: plot_png , optional: true + tuple val(meta), path("*gprofiler2.*gostplot.html") , emit: plot_html , optional: true + tuple val(meta), path("*gprofiler2.*sub_enriched_pathways.tsv") , emit: sub_enrich , optional: true + tuple val(meta), path("*gprofiler2.*sub_enriched_pathways.png") , emit: sub_plot , optional: true + tuple val(meta), path("*ENSG_filtered.gmt") , emit: filtered_gmt, optional: true + tuple val(meta), path("*R_sessionInfo.log") , emit: session_info + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + template 'gprofiler2_gost.R' +} diff --git a/modules/nf-core/gprofiler2/gost/meta.yml b/modules/nf-core/gprofiler2/gost/meta.yml new file mode 100644 index 00000000..5fe3294d --- /dev/null +++ b/modules/nf-core/gprofiler2/gost/meta.yml @@ -0,0 +1,110 @@ +name: "gprofiler2_gost" +description: runs a functional enrichment analysis with gprofiler2 +keywords: + - gene set analysis + - enrichment + - gprofiler2 + - gost + - gene set +tools: + - "gprofiler2": + description: "An R interface corresponding to the 2019 update of g:Profiler web tool." + homepage: "https://biit.cs.ut.ee/gprofiler/page/r" + documentation: "https://rdrr.io/cran/gprofiler2/" + tool_dev_url: "https://gl.cs.ut.ee/biit/r-gprofiler2" + doi: "10.1093/nar/gkad347" + licence: ["GPL v2"] + +input: + - meta: + type: map + description: | + Groovy Map containing contrast information, e.g. [ variable:'treatment', reference:'treated', control:'saline', blocking:'' ] + - de_file: + type: file + pattern: "*.{csv,tsv}" + description: | + CSV or TSV-format tabular file with differential analysis outputs + - contrast_variable: + type: string + description: | + The contrast variable that is being investigated in DE analysis, e.g. "treatment". + - reference: + type: string + description: | + The contrast level of the reference samples, e.g. "control" + - target: + type: string + description: | + The contrast level of the target samples, e.g. "treated" + - organism: + type: string + description: | + The name of the analyzed organism consisting of the first letter of the genus and the entire species name, e.g. for homo sapiens: hsapiens + - sources: + type: string + description: | + Comma-separated list of data sources to search for pathways, e.g. 'GO,REAC'. Check https://rdrr.io/cran/gprofiler2/man/gost.html for a list of available sources + - background_file: + type: file + pattern: "*.{csv,tsv,txt}" + description: | + Path to a CSV/TSV/TXT file listing gene IDs that should be used as the background (will override count_file). This can be an expression matrix (see also background_column parameter); if so, will only consider those genes with an expression value > 0 in at least one sample. Alternatively, this can be a TXT file containing only a list of gene IDs. + - gmt_file: + type: file + pattern: "*.{gmt}" + description: | + Path to a GMT file downloaded from g:profiler that should be queried instead of the online databases + +output: + - meta: + type: map + description: | + Groovy Map containing contrast information, e.g. [ variable:'treatment', reference:'treated', control:'saline', blocking:'' ] + - all_enrich: + type: file + description: | + TSV file; table listing all enriched pathways that were found. This table will always be created (empty if no enrichment was found), the other output files are only created if enriched pathways were found + pattern: "*gprofiler2.*all_enriched_pathways.tsv" + - rds: + type: file + description: | + RDS file; R object containing the results of the gost query + pattern: "*gprofiler2.*gost_results.rds" + - plot_png: + type: file + description: | + PNG file; Manhattan plot of all enriched pathways + pattern: "*gprofiler2.*gostplot.png" + - plot_html: + type: file + description: | + HTML file; interactive Manhattan plot of all enriched pathways + pattern: "*gprofiler2.*gostplot.html" + - sub_enrich: + type: file + description: | + TSV file; table listing enriched pathways that were found from one particular source + pattern: "*gprofiler2.*sub_enriched_pathways.tsv" + - sub_plot: + type: file + description: | + PNG file; bar plot showing the fraction of genes that were found enriched in each pathway + pattern: "*gprofiler2.*sub_enriched_pathways.png" + - filtered_gmt: + type: file + description: | + GMT file that was provided as input or that was downloaded from g:profiler if no input GMT file was given; filtered for the selected datasources + pattern: "*ENSG_filtered.gmt" + - session_info: + type: file + description: | + Log file containing information about the R session that was run for this module + pattern: "*R_sessionInfo.log" + - versions: + type: file + description: File containing software versions + pattern: "versions.yml" + +authors: + - "@WackerO" diff --git a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R new file mode 100644 index 00000000..797305bc --- /dev/null +++ b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R @@ -0,0 +1,449 @@ +#!/usr/bin/env Rscript + +# Written by Oskar Wacker (https://github.com/WackerO) in +# collaboration with Gisela Gabernet (https://github.com/ggabernet) +# Script template by Jonathan Manning (https://github.com/pinin4fjords) + +# MIT License + +# Copyright (c) QBiC + +# Permission is hereby granted, free of charge, to any person obtaining a copy +# of this software and associated documentation files (the "Software"), to deal +# in the Software without restriction, including without limitation the rights +# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +# copies of the Software, and to permit persons to whom the Software is +# furnished to do so, subject to the following conditions: + +# The above copyright notice and this permission notice shall be included in all +# copies or substantial portions of the Software. + +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +# SOFTWARE. + +################################################ +################################################ +## Functions ## +################################################ +################################################ + +#' Parse out options from a string without recourse to optparse +#' +#' @param x Long-form argument list like --opt1 val1 --opt2 val2 +#' +#' @return named list of options and values similar to optparse + +parse_args <- function(x) { + args_list <- unlist(strsplit(x, ' ?--')[[1]])[-1] + args_vals <- lapply(args_list, function(x) scan(text=x, what='character', quiet = TRUE)) + + # Ensure the option vectors are length 2 (key/ value) to catch empty ones + args_vals <- lapply(args_vals, function(z) { length(z) <- 2; z}) + + parsed_args <- structure(lapply(args_vals, function(x) x[2]), names = lapply(args_vals, function(x) x[1])) + parsed_args[! is.na(parsed_args)] +} + +#' Flexibly read CSV or TSV files +#' +#' @param file Input file +#' @param header Passed to read.delim() +#' @param row.names Passed to read.delim() +#' +#' @return output Data frame + +read_delim_flexible <- function(file, header = TRUE, row.names = NULL, check.names = F) { + + ext <- tolower(tail(strsplit(basename(file), split = "\\\\.")[[1]], 1)) + + if (ext == "tsv" || ext == "txt") { + separator <- "\\t" + } else if (ext == "csv") { + separator <- "," + } else { + stop(paste("Unknown separator for", ext)) + } + + read.delim( + file, + sep = separator, + header = header, + row.names = row.names, + check.names = check.names + ) +} + +#' Round numeric dataframe columns to fixed decimal places by applying +#' formatting and converting back to numerics +#' +#' @param dataframe A data frame +#' @param columns Which columns to round (assumes all of them by default) +#' @param digits How many decimal places to round to? If -1, will return the unchanged input df +#' +#' @return output Data frame +round_dataframe_columns <- function(df, columns = NULL, digits = -1) { + if (digits == -1) { + return(df) # if -1, return df without rounding + } + + df <- data.frame(df, check.names = FALSE) # make data.frame from vector as otherwise, the format will get messed up + if (is.null(columns)) { + columns <- colnames(df)[(unlist(lapply(df, is.numeric), use.names=F))] # extract only numeric columns for rounding + } + + df[,columns] <- round( + data.frame(df[, columns], check.names = FALSE), + digits = digits + ) + + # Convert columns back to numeric + + for (c in columns) { + df[[c]][grep("^ *NA\$", df[[c]])] <- NA + df[[c]] <- as.numeric(df[[c]]) + } + df +} + +################################################ +################################################ +## PARSE PARAMETERS FROM NEXTFLOW ## +################################################ +################################################ + +# I've defined these in a single array like this so that we could go back to an +# optparse-driven method in future with module bin/ directories, rather than +# the template + +# Set defaults and classes +opt <- list( + de_file = '$de_file', + de_id_column = 'gene_id', + organism = '$organism', + sources = '$sources', + contrast_variable = '$contrast_variable', + reference_level = '$reference', + target_level = '$target', + blocking_variables = NULL, + significant = T, + measure_underrepresentation = F, + correction_method = 'gSCS', + evcodes = F, + pval_threshold = 0.05, + gmt_file = '$gmt_file', + gost_token = NULL, + background_file = '$background_file', + background_column = NULL, + domain_scope = 'annotated', + min_diff = 1, + round_digits = -1, + palette_name = 'Blues' +) + +opt_types <- lapply(opt, class) + +# Apply parameter overrides + +args_opt <- parse_args('$task.ext.args') +for ( ao in names(args_opt)) { + if (! ao %in% names(opt)) { + stop(paste("Invalid option:", ao)) + } else { + + # Preserve classes from defaults where possible + if (! is.null(opt[[ao]])) { + args_opt[[ao]] <- as(args_opt[[ao]], opt_types[[ao]]) + } + opt[[ao]] <- args_opt[[ao]] + } +} + +# Check if required parameters have been provided +required_opts <- c('organism', 'sources', 'contrast_variable', 'reference_level', 'target_level') +missing <- required_opts[unlist(lapply(opt[required_opts], is.null)) | ! required_opts %in% names(opt)] + +if (length(missing) > 0) { + stop(paste("Missing required options:", paste(missing, collapse=', '))) +} + +# Check file inputs are valid + +for (file_input in c('de_file')) { + if (is.null(opt[[file_input]])) { + stop(paste("Please provide", file_input), call. = FALSE) + } + + if (! file.exists(opt[[file_input]])) { + stop(paste0('Value of ', file_input, ': ', opt[[file_input]], ' is not a valid file')) + } +} + +################################################ +################################################ +## Finish loading libraries ## +################################################ +################################################ + +library(gprofiler2) +library(ggplot2) + +################################################ +################################################ +## READ IN DIFFERENTIAL GENES FILE ## +################################################ +################################################ + +de.genes <- + read_delim_flexible( + file = opt\$de_file + ) +if (nrow(de.genes) == 0) { + opt <- options(show.error.messages = FALSE) # Do not throw error so that rest of pipeline continues + print("No differential features found, pathway enrichment analysis with gprofiler2 will be skipped.") + stop() +} +query <- de.genes[[opt\$de_id_column]] + +################################################ +################################################ +# Run gprofiler processes and generate outputs # +################################################ +################################################ + +set.seed(1) # This will ensure that reruns have the same plot colors + +# Create prefix from contrast var, reference and target as well as blocking (if provided) +contrast_name <- paste(opt\$contrast_variable, opt\$reference_level, opt\$target_level, sep = '_') +if (!is.null(opt\$blocking_variables)) { + blocking_variables <- paste(make.names(unlist(strsplit(opt\$blocking_variables, split = ','))), collapse = '_') + output_prefix <- paste(contrast_name, blocking_variables, sep= '_') +} +output_prefix <- paste('gprofiler2', contrast_name, sep = '.') + +# Create empty output table in case no enriched pathways are found +file.create(paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.')) + +sources <- strsplit(opt\$sources, split = ",")[[1]] + +if (!is.null(opt\$gost_token)) { + + # First check if a gost_token was provided + gost_token <- opt\$gost_token +} else if (opt\$gmt_file != "") { + + # Next check if custom GMT file was provided; extract only requested datasources (gprofiler will NOT filter automatically!) + gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(opt\$gmt)) + gmt_path <- paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_filtered.gmt") + writeLines(gmt, gmt_path) + gost_token <- upload_GMT_file(gmt_path) + + # Add gost ID to output GMT name so that it can be reused in future runs + file.rename(gmt_path, paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_gostID_", gost_token, "_filtered.gmt")) +} else { + + # Otherwise, get the GMT file from gprofiler and save both the full file as well as the filtered one to metadata + gmt_url <- paste0("https://biit.cs.ut.ee/gprofiler//static/gprofiler_full_", opt\$organism, ".ENSG.gmt") + tryCatch( + { + gmt_path <- paste0("gprofiler_full_", opt\$organism, ".", paste(sources, collapse="_"), ".ENSG_filtered.gmt") + download <- download.file(gmt_url, gmt_path) + if (download != 0) { + print("Failed to fetch the GMT file from gprofiler with this URL:") + print(gmt_url) + print("For reproducibility reasons, try to download the GMT file manually by visiting https://biit.cs.ut.ee/gprofiler/gost, then selecting the correct organism and, in datasources, clicking 'combined ENSG.gmt'.") + } else { + gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(gmt_path)) + print(paste0("GMT file successfully downloaded and filtered. Please note that for some sources, the GMT file may not contain any entries as these cannot be retrieved from gprofiler; in this case, the GMT file may be completely empty.")) + writeLines(gmt, gmt_path) + } + }, + error=function(gost_error) { + print("Failed to fetch the GMT file from gprofiler with this URL:") + print(gmt_url) + print("Got error:") + print(gost_error) + print("For reproducibility reasons, please try to download the GMT file manually by visiting https://biit.cs.ut.ee/gprofiler/gost, then selecting the correct organism and, in datasources, clicking 'combined ENSG.gmt'. Then provide it to the pipeline with the parameter `--gmt_file`") + } + ) + gost_token <- opt\$organism +} + + +# If custom background_file was provided, read it +if (opt\$background_file != "") { + intensities_table <- read_delim_flexible( + file = opt\$background_file + ) + # If only 1 col, it is a list, not a matrix + if (ncol(intensities_table) == 1) { + background <- intensities_table[,1] # Extract first column from df + background <- append(background, colnames(intensities_table)[1]) # First entry was put into header, add it to vector + } else { + # Otherwise it's a matrix + # Set rownames to background_column if param was set + if (!is.null(opt\$background_column)) { + if (opt\$background_column %in% colnames(intensities_table)) { + rownames(intensities_table) <- intensities_table[[opt\$background_column]] + intensities_table[[opt\$background_column]] <- NULL + } else { + stop(paste0("Invalid background_column argument: ", opt\$background_column, + ". Valid columns are: ", paste(colnames(intensities_table), collapse=", "), ".")) + } + } else { + + # Otherwise set rownames to first column + rownames(intensities_table) <- intensities_table[,1] + intensities_table <- intensities_table[,-1] + } + + # Rownames are set, now remove non-numeric columns + nums <- unlist(lapply(intensities_table, is.numeric), use.names = FALSE) + intensities_table <- intensities_table[, nums] + # Keep only rownames which have abundance + background <- rownames(subset(intensities_table, rowSums(intensities_table, na.rm = TRUE)>0)) + } +} else { + background <- NULL +} + +# Name the query as it will otherwise be called 'query_1' which will also determine the gostplot title +q <- list(query) +names(q) <- c(contrast_name) + +gost_results <- gost( + query=q, + organism=gost_token, + significant=opt\$significant, + measure_underrepresentation=opt\$measure_underrepresentation, + correction_method=opt\$correction_method, + sources=sources, + evcodes=opt\$evcodes, + user_threshold=opt\$pval_threshold, + custom_bg=background, + domain_scope=opt\$domain_scope +) + +if (!is.null(gost_results)) { + # Create interactive plot and save to HTML + interactive_plot <- gostplot(gost_results, capped=T, interactive=T) + + # Save interactive plot as HTML + htmlwidgets::saveWidget( + widget = interactive_plot, + file = paste(output_prefix, 'gostplot', 'html', sep = '.') + ) + + # Create a static plot and save to PNG + static_plot <- gostplot(gost_results, capped=T, interactive=F) + ggsave(plot = static_plot, filename = paste(output_prefix, 'gostplot', 'png', sep = '.'), width = 10, height = 7) + + # Subset gost results to those pathways with a min. number of differential features + gost_results\$result <- gost_results\$result[which(gost_results\$result\$intersection_size>=opt\$min_diff),] + + # annotate query size (number of differential features in contrast) + gost_results\$result\$original_query_size <- rep(length(as.character(de.genes\$Ensembl_ID)), nrow(gost_results\$result)) + + # R object for other processes to use + + saveRDS(gost_results, file = paste(opt\$contrast_variable, 'gprofiler2.gost_results.rds', sep = '.')) + + # Write full enrichment table (except parents column as that one throws an error) + + gost_results\$results <- data.frame( + round_dataframe_columns(gost_results\$result[,-which(names(gost_results\$result) == "parents")], digits=opt\$round_digits), + check.names = FALSE + ) + + write.table( + gost_results\$results, + file = paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.'), + col.names = TRUE, + row.names = FALSE, + sep = '\t', + quote = FALSE + ) + + # Iterate over the enrichment results by source and save separate tables + for (df in split(gost_results\$result, gost_results\$result\$source)){ + db_source <- df\$source[1] + df_subset <- data.frame( + Pathway_name = df\$term_name, + Pathway_code = df\$term_id, + DE_genes = df\$intersection_size, + Pathway_size = df\$term_size, + Fraction_DE = df\$recall, + Padj = df\$p_value, + DE_genes_names = df\$intersection + ) + df_subset <- data.frame( + round_dataframe_columns(df_subset, digits=opt\$round_digits), + check.names = FALSE + ) + write.table( + df_subset, + file = paste(output_prefix, db_source, 'sub_enriched_pathways', 'tsv', sep = '.'), + col.names = TRUE, + row.names = FALSE, + sep = '\t', + quote = FALSE + ) + + # For plot, shorten pathway names as they can get quite long (full name can be looked up in the table) + df_subset\$Pathway_name <- sapply(df_subset\$Pathway_name, substr, start=1, stop=50) + + # Extract 3 colors from the chosen palette (2 are sufficient, but brewer.pal has a minimum of 3); first and last will be used for plot + colors <- RColorBrewer::brewer.pal(3, opt\$palette_name) + + # Enriched pathways horizontal barplots of padj values + p <- ggplot(df_subset, aes(x=reorder(Pathway_name, Fraction_DE), y=Fraction_DE)) + + geom_bar(aes(fill=Padj), stat="identity", width = 0.7) + + geom_text(aes(label=paste0(df_subset\$DE_genes, "/", df_subset\$Pathway_size)), vjust=0.4, hjust=-0.2, size=3) + + theme(plot.title.position = "plot") + + coord_flip() + + scale_y_continuous(limits = c(0.00, 1.24), breaks = seq(0, 1.24, by = 0.25)) + + ggtitle(paste("Enriched", db_source, "pathways")) + + xlab("") + ylab("Enriched fraction (DE features / Pathway size)") + + scale_fill_continuous(high = colors[1], low = colors[3]) + + # Save plot with set width to ensure there is enough space for the labels; adapt height to nrow but limit it to 100 as there will be an error for too high values + ggsave(p, filename = paste(output_prefix, db_source, 'sub_enriched_pathways', 'png', sep = '.'), device = "png", width=10, height=min(100, 1.5+nrow(df_subset)*0.15), limitsize=F) + } +} + +################################################ +################################################ +## R SESSION INFO ## +################################################ +################################################ + +sink("R_sessionInfo.log") +print(sessionInfo()) +sink() + +################################################ +################################################ +## VERSIONS FILE ## +################################################ +################################################ + +r.version <- strsplit(version[['version.string']], ' ')[[1]][3] +gprofiler2.version <- as.character(packageVersion('gprofiler2')) +ggplot2.version <- as.character(packageVersion('ggplot2')) +writeLines( + c( + '"\${task.process}":', + paste(' r-base:', r.version), + paste(' r-ggplot2:', ggplot2.version), + paste(' r-gprofiler2:', gprofiler2.version) + ), +'versions.yml') + +################################################ +################################################ +################################################ +################################################ From ac07d6e91b7a7fde9cc70762799da70ffbf71090 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 16 Nov 2023 14:10:37 +0100 Subject: [PATCH 009/168] prettier --- CITATIONS.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CITATIONS.md b/CITATIONS.md index 404d2ad8..d06c13bf 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -34,7 +34,7 @@ - [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/index.html) - > Kolberg L, Raudvere U, Kuzmin I, Vilo J, Peterson H (2020). “gprofiler2– an R package for gene list functional enrichment analysis and namespace conversion toolset g:Profiler.” F1000Research, 9 (ELIXIR)(709). R package version 0.2.2. + > Kolberg L, Raudvere U, Kuzmin I, Vilo J, Peterson H (2020). “gprofiler2– an R package for gene list functional enrichment analysis and namespace conversion toolset g:Profiler.” F1000Research, 9 (ELIXIR)(709). R package version 0.2.2. - [Limma](https://pubmed.ncbi.nlm.nih.gov/25605792/) From 52a5d08368af169a2e3dff373f1dfb193d8abbf0 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 16 Nov 2023 14:12:41 +0100 Subject: [PATCH 010/168] Added gpro to test.config --- conf/test.config | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/conf/test.config b/conf/test.config index cd6d0577..0bd7639f 100644 --- a/conf/test.config +++ b/conf/test.config @@ -47,4 +47,9 @@ params { // Activate GSEA gsea_run = true gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' + + // Activate gprofiler2 + gprofiler2_run = true + gprofiler2_organism = mmusculus + gprofiler2_sources = 'KEGG,REAC' } From d72f27756429c1e21ea0e72e6d9f78291d060bc3 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 17 Nov 2023 08:35:27 +0100 Subject: [PATCH 011/168] changing the workflow to make gprofiler run multiple times if several contrasts are investigated --- CHANGELOG.md | 1 + assets/differentialabundance_report.Rmd | 3 ++- conf/test.config | 2 +- conf/test_full.config | 2 +- workflows/differentialabundance.nf | 16 ++++++++-------- 5 files changed, 13 insertions(+), 11 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 0a21277c..a5f91608 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#199](https://github.com/nf-core/differentialabundance/pull/199)] - Add gprofiler2 module([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#193](https://github.com/nf-core/differentialabundance/pull/193)] - Add DESeq2 text to report ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#192](https://github.com/nf-core/differentialabundance/pull/192)] - Add scree plot in report ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#188](https://github.com/nf-core/differentialabundance/pull/188)] - Add option to cluster all features ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 5a9fd932..df9da7f6 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -903,10 +903,11 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ ```{r, echo=FALSE, results='asis', eval=params$gprofiler2_run} enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) +capture.output(enrichment_files, file="/home-link/iivow01/git/differentialabundance/error/enrichment") cat(paste0("\n### Pathway enrichment analysis {.tabset}")) if (length(grep(".html", enrichment_files, fixed=T))) { cat(paste0("\nThis section contains the results of the pathway analysis which was done with the R package gprofiler2. The plots show the -log10 adjusted p values of each pathway which was found to be enriched for differential genes (if necessary determined by converting feature IDs to gene IDs); if possible, pathways are grouped by their source database. The tables below give additional info for each pathway; the differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", - ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <=", params$gprofiler2_max_qval, "."), ""), "\n")) + ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <=", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) for (html in rev(grep(".html", enrichment_files, value=T, fixed=T))) { contrast <- unlist(strsplit(html, "gprofiler2.", fixed=T))[2] diff --git a/conf/test.config b/conf/test.config index 0bd7639f..e66a6181 100644 --- a/conf/test.config +++ b/conf/test.config @@ -50,6 +50,6 @@ params { // Activate gprofiler2 gprofiler2_run = true - gprofiler2_organism = mmusculus + gprofiler2_organism = 'mmusculus' gprofiler2_sources = 'KEGG,REAC' } diff --git a/conf/test_full.config b/conf/test_full.config index 0591a4d0..2b9bcd9f 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -38,6 +38,6 @@ params { // Activate gprofiler2 gprofiler2_run = true - gprofiler2_organism = mmusculus + gprofiler2_organism = 'mmusculus' gprofiler2_sources = 'KEGG,REAC' } diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 1012a3a7..41107dc3 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -459,7 +459,7 @@ workflow DIFFERENTIALABUNDANCE { } if (params.gprofiler2_run) { - ch_org_source = Channel.of([ params.gprofiler2_organism, params.gprofiler2_sources ]) + ch_org_source = Channel.value([ params.gprofiler2_organism, params.gprofiler2_sources ]) if (!params.gprofiler2_background_file) { // If param not set, use empty list as "background" ch_background = [] @@ -468,7 +468,7 @@ workflow DIFFERENTIALABUNDANCE { if(params.study_type == "geo_soft_file") { ch_background = ch_norm.map{it.tail()} } else { - ch_background = ch_raw.map{it.tail()} + ch_background = ch_raw.map{it.tail()}.dump(tag:'bg') } } else { if (!file(params.gprofiler2_background_file).exists()) { @@ -479,14 +479,14 @@ workflow DIFFERENTIALABUNDANCE { if (!params.gprofiler2_gmt) { ch_gmt = [] } else { - ch_gmt = Channel.fromPath(params.gprofiler2_gmt) + ch_gmt = Channel.value(params.gprofiler2_gmt) } - + print(ch_background) GOST( - ch_contrasts, - ch_differential, - ch_org_source, - ch_gmt, + ch_contrasts.dump(tag:'contrasts'), + ch_differential.dump(tag:'diff'), + ch_org_source.dump(tag:'orgsource'), + ch_gmt.dump(tag:'gmt'), ch_background ) } From a0f7ab187368374a36f9f5739e14cd6bea68d734 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 23 Nov 2023 12:57:47 +0100 Subject: [PATCH 012/168] GOST module update --- modules.json | 2 +- modules/nf-core/gprofiler2/gost/environment.yml | 1 + modules/nf-core/gprofiler2/gost/meta.yml | 2 +- .../nf-core/gprofiler2/gost/templates/gprofiler2_gost.R | 6 +++--- workflows/differentialabundance.nf | 7 ++++--- 5 files changed, 10 insertions(+), 8 deletions(-) diff --git a/modules.json b/modules.json index 8a3f7e04..16fb8811 100644 --- a/modules.json +++ b/modules.json @@ -47,7 +47,7 @@ }, "gprofiler2/gost": { "branch": "master", - "git_sha": "6b99d8588189292186a12d28ee6746bc72be30d1", + "git_sha": "38e8c3694330e865b955d4286fccc3f22287c1a0", "installed_by": ["modules"] }, "gsea/gsea": { diff --git a/modules/nf-core/gprofiler2/gost/environment.yml b/modules/nf-core/gprofiler2/gost/environment.yml index 00d47d52..65e5d8f2 100644 --- a/modules/nf-core/gprofiler2/gost/environment.yml +++ b/modules/nf-core/gprofiler2/gost/environment.yml @@ -1,3 +1,4 @@ +name: gprofiler2_gost channels: - conda-forge - bioconda diff --git a/modules/nf-core/gprofiler2/gost/meta.yml b/modules/nf-core/gprofiler2/gost/meta.yml index 5fe3294d..b6e90357 100644 --- a/modules/nf-core/gprofiler2/gost/meta.yml +++ b/modules/nf-core/gprofiler2/gost/meta.yml @@ -52,7 +52,7 @@ input: Path to a CSV/TSV/TXT file listing gene IDs that should be used as the background (will override count_file). This can be an expression matrix (see also background_column parameter); if so, will only consider those genes with an expression value > 0 in at least one sample. Alternatively, this can be a TXT file containing only a list of gene IDs. - gmt_file: type: file - pattern: "*.{gmt}" + pattern: "*.gmt" description: | Path to a GMT file downloaded from g:profiler that should be queried instead of the online databases diff --git a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R index 797305bc..7a5d21f0 100644 --- a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R +++ b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R @@ -219,11 +219,11 @@ set.seed(1) # This will ensure that reruns have the same plot colors # Create prefix from contrast var, reference and target as well as blocking (if provided) contrast_name <- paste(opt\$contrast_variable, opt\$reference_level, opt\$target_level, sep = '_') +output_prefix <- paste('gprofiler2', contrast_name, sep = '.') if (!is.null(opt\$blocking_variables)) { blocking_variables <- paste(make.names(unlist(strsplit(opt\$blocking_variables, split = ','))), collapse = '_') - output_prefix <- paste(contrast_name, blocking_variables, sep= '_') + output_prefix <- paste(output_prefix, blocking_variables, sep= '_') } -output_prefix <- paste('gprofiler2', contrast_name, sep = '.') # Create empty output table in case no enriched pathways are found file.create(paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.')) @@ -313,7 +313,7 @@ if (opt\$background_file != "") { # Name the query as it will otherwise be called 'query_1' which will also determine the gostplot title q <- list(query) -names(q) <- c(contrast_name) +names(q) <- c(paste0(contrast_name, ifelse(!is.null(opt\$blocking_variables), paste0("_", blocking_variables), ""))) gost_results <- gost( query=q, diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 41107dc3..d04f2b69 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -468,7 +468,7 @@ workflow DIFFERENTIALABUNDANCE { if(params.study_type == "geo_soft_file") { ch_background = ch_norm.map{it.tail()} } else { - ch_background = ch_raw.map{it.tail()}.dump(tag:'bg') + ch_background = ch_raw.map{it.tail()} } } else { if (!file(params.gprofiler2_background_file).exists()) { @@ -481,13 +481,14 @@ workflow DIFFERENTIALABUNDANCE { } else { ch_gmt = Channel.value(params.gprofiler2_gmt) } + print(ch_gmt) print(ch_background) GOST( ch_contrasts.dump(tag:'contrasts'), ch_differential.dump(tag:'diff'), ch_org_source.dump(tag:'orgsource'), - ch_gmt.dump(tag:'gmt'), - ch_background + ch_gmt, + ch_background.dump(tag:'bg') ) } From 0df5a89fafb28f3a6862a3619e6c3bc598649482 Mon Sep 17 00:00:00 2001 From: WackerO Date: Mon, 27 Nov 2023 09:21:02 +0100 Subject: [PATCH 013/168] Removed write statements, updated metro map --- docs/images/workflow.png | Bin 177566 -> 151927 bytes docs/images/workflow.svg | 255 ++++++++++++------ .../gost/templates/gprofiler2_gost.R | 3 - 3 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+justRMA + id="tspan4025">justRMA +readProteinGroups + id="tspan4029">readProteinGroups GTF to GTF to +table + id="tspan4033">table Validate + id="tspan4035">Validate Limma + id="tspan4037">Limma GSEA + id="tspan4039">GSEA + gProfiler2 DESeq2 + id="tspan4043">DESeq2 Filter matrix + id="tspan4045">Filter matrix + + y="358.38174" /> + y="358.29785" /> GEO ID + id="tspan4047">GEO ID Maxquant Maxquant +output + id="tspan4051">output Affy Affy +intensities + id="tspan4055">intensities Reference Reference +annotation + id="tspan4061">annotation Contrast Contrast +definitions + id="tspan4067">definitions @@ -1132,10 +1165,11 @@ y="0">Feature Feature +annotations + id="tspan4071">annotations Abundance Abundance +values + id="tspan4075">values Observation Observation +annotations + id="tspan4079">annotations + Plot exploratory + id="tspan4081">Plot exploratory Plot differential + id="tspan4083">Plot differential R Markdown notebook @@ -1517,24 +1559,24 @@ inkscape:export-xdpi="90" inkscape:export-filename="./polygon4618.png" id="text3362-8-6" - y="325.30905" + y="345.41769" x="112.9056" style="font-style:normal;font-variant:normal;font-weight:normal;font-stretch:normal;font-size:6.35px;line-height:1.35;font-family:'Maven Pro';-inkscape-font-specification:'Maven Pro';display:inline;fill:#000000;fill-opacity:1;stroke:none;stroke-width:0.264583" xml:space="preserve">Build Shiny app TSV + + + + + + + + TSV + Date: Mon, 27 Nov 2023 09:59:08 +0100 Subject: [PATCH 014/168] Corrected metro maps, uncommented error case in workflow, fixed spelling error in schema, added rds to GOST output --- conf/modules.config | 2 +- docs/images/workflow.png | Bin 151927 -> 152051 bytes docs/images/workflow.svg | 72 ++++++++++++++--------------- nextflow_schema.json | 2 +- workflows/differentialabundance.nf | 2 +- 5 files changed, 39 insertions(+), 39 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index fe442a49..cb83b0d6 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -336,7 +336,7 @@ process { [ path: { "${params.outdir}/other/gprofiler2/" }, mode: params.publish_dir_mode, - pattern: '*sessionInfo.log' + pattern: '*.{rds,sessionInfo.log}' ] ] ext.args = { [ diff --git a/docs/images/workflow.png b/docs/images/workflow.png index 8bb85975bedd77c5dc6761ab270268e1eb770939..daa0858fd7c4da4d47c806494987d403ae8638d4 100644 GIT binary patch delta 34532 zcmZU)c|26@|37YKEQ!>FtWksP#AFwBhe9Z_WRHyOB>Qs4T{n~UPFcp13dv6Pead!Y zP_nNRA$!Qa{jQ_;=l9RogU8gIbFOnOuj}=CzMik=we^mEJ)It3iZE$`L>Japr&a<& z4bM=sqI>UMZk}|idLN&3|Gizj8E&Vur>Cbk7*|yqDB4kaMcd`;ZJo|5p3RxPx3Myv zL2@2!*I6FkwWjSl*qc&#+USm(CZ{~`Z75i%>LRZP#_x%l4}5>!?Fm_$?g!x3(mc~_ z?%HPOyBaWik9K6_@N34#L)c430-CYC@0YlYM=JT2`gwLl&{f-8Sx1}F*x`cQUFY-8 z6?!ub@ltA{T1m@ zL2!59Gnqea`>h+zfAMK~`*cS9aHq}5%KH1hdcI5$)%LF}NZMX3;7KfK(G=JV*TAQt%+88r$%nU-p@s(Y-)+;{1M9ME!S}H_olWp) zasKCS$?sjuNMZsv@ad9MXm#ZS-x4QR{I;WlIOV8X-~zaw&33t1L^C!+wocx*w(WP8p3en+?Ifc~w 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a/docs/images/workflow.svg +++ b/docs/images/workflow.svg @@ -27,13 +27,13 @@ inkscape:deskcolor="#d1d1d1" inkscape:document-units="mm" inkscape:zoom="0.45613691" - inkscape:cx="633.58171" - inkscape:cy="261.98275" + inkscape:cx="1431.5877" + inkscape:cy="1097.2583" inkscape:window-width="1024" inkscape:window-height="587" inkscape:window-x="0" inkscape:window-y="25" - inkscape:window-maximized="0" + inkscape:window-maximized="1" inkscape:current-layer="layer1" inkscape:export-bgcolor="#ffffffff" showgrid="false" /> @@ -255,11 +255,11 @@ y="0"> + id="tspan4835"> getGEO + id="tspan4837">getGEO + id="tspan4839"> justRMA + id="tspan4841">justRMA + id="tspan4843"> readProteinGroups + id="tspan4845">readProteinGroups GTF to + id="tspan4847">GTF to table + id="tspan4849">table Validate + id="tspan4851">Validate Limma + id="tspan4853">Limma GSEA + id="tspan4855">GSEA gProfiler2 + id="tspan4857">gprofiler2 DESeq2 + id="tspan4859">DESeq2 Filter matrix + id="tspan4861">Filter matrix GEO ID + id="tspan4863">GEO ID Maxquant + id="tspan4865">Maxquant output + id="tspan4867">output Affy + id="tspan4869">Affy intensities + id="tspan4871">intensities Reference + id="tspan4873"> Reference annotation + id="tspan4877">annotation Contrast + id="tspan4881">Contrast definitions + id="tspan4883">definitions @@ -1165,11 +1165,11 @@ y="0">Feature + id="tspan4885">Feature annotations + id="tspan4887">annotations Abundance + id="tspan4889">Abundance values + id="tspan4891">values Observation + id="tspan4893">Observation annotations + id="tspan4895">annotations Plot exploratory + id="tspan4897">Plot exploratory Plot differential + id="tspan4899">Plot differential Date: Mon, 27 Nov 2023 16:22:42 +0000 Subject: [PATCH 015/168] bump versions --- CHANGELOG.md | 9 +++++++++ assets/multiqc_config.yml | 4 ++-- nextflow.config | 2 +- 3 files changed, 12 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index e080218d..6b4bbad1 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,6 +3,15 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). +## v1.5.0dev + +### `Added` + +### `Fixed` + +### `Changed` + + ## v1.4.0 - 2023-11-27 ### `Added` diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index f921df86..211358cb 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,7 +1,7 @@ report_comment: > - This report has been generated by the nf-core/differentialabundance + This report has been generated by the nf-core/differentialabundance analysis pipeline. For information about how to interpret these results, please see the - documentation. + documentation. report_section_order: "nf-core-differentialabundance-methods-description": order: -1000 diff --git a/nextflow.config b/nextflow.config index 5c678174..f1531748 100644 --- a/nextflow.config +++ b/nextflow.config @@ -386,7 +386,7 @@ manifest { description = 'Differential abundance analysis' mainScript = 'main.nf' nextflowVersion = '!>=23.10.0' - version = '1.4.0' + version = '1.5.0dev' doi = '10.5281/zenodo.7568000' } From c0c4de63b25b7422dfbbbce1f1e3595e2046c0de Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Mon, 27 Nov 2023 16:25:04 +0000 Subject: [PATCH 016/168] Fix resource issues --- conf/base.config | 2 +- modules.json | 4 ++-- modules/nf-core/deseq2/differential/main.nf | 2 +- modules/nf-core/limma/differential/main.nf | 2 +- 4 files changed, 5 insertions(+), 5 deletions(-) diff --git a/conf/base.config b/conf/base.config index cbc9311c..59ef2e92 100644 --- a/conf/base.config +++ b/conf/base.config @@ -36,7 +36,7 @@ process { } withLabel:process_medium { cpus = { check_max( 6 * task.attempt, 'cpus' ) } - memory = { check_max( 2.GB * task.attempt, 'memory' ) } + memory = { check_max( 36.GB * task.attempt, 'memory' ) } time = { check_max( 8.h * task.attempt, 'time' ) } } withLabel:process_high { diff --git a/modules.json b/modules.json index e2f69a77..f65a0b01 100644 --- a/modules.json +++ b/modules.json @@ -37,7 +37,7 @@ }, "deseq2/differential": { "branch": "master", - "git_sha": "c992bd93b22a97feda5f04755511366c45423626", + "git_sha": "9326d73af3fbe2ee90d9ce0a737461a727c5118e", "installed_by": ["modules"] }, "geoquery/getgeo": { @@ -57,7 +57,7 @@ }, "limma/differential": { "branch": "master", - "git_sha": "25047aa940979f64b31d19b94c483a9254263892", + "git_sha": "9326d73af3fbe2ee90d9ce0a737461a727c5118e", "installed_by": ["modules"] }, "proteus/readproteingroups": { diff --git a/modules/nf-core/deseq2/differential/main.nf b/modules/nf-core/deseq2/differential/main.nf index 3c797f7b..ab7bc06a 100644 --- a/modules/nf-core/deseq2/differential/main.nf +++ b/modules/nf-core/deseq2/differential/main.nf @@ -1,6 +1,6 @@ process DESEQ2_DIFFERENTIAL { tag "$meta" - label 'process_medium' + label 'process_single' conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? diff --git a/modules/nf-core/limma/differential/main.nf b/modules/nf-core/limma/differential/main.nf index 56e02950..384e4649 100644 --- a/modules/nf-core/limma/differential/main.nf +++ b/modules/nf-core/limma/differential/main.nf @@ -1,6 +1,6 @@ process LIMMA_DIFFERENTIAL { tag "$meta" - label 'process_medium' + label 'process_single' conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? From c993eac3b78034e2a33f8ba8c8c53aa376516073 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Mon, 27 Nov 2023 16:26:47 +0000 Subject: [PATCH 017/168] update changelog --- CHANGELOG.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 6b4bbad1..f5352240 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,6 +9,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by ) + ### `Changed` From 2b2caae55a50dc6646178ff2f3d53507a3015092 Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Mon, 27 Nov 2023 16:28:43 +0000 Subject: [PATCH 018/168] [automated] Fix linting with Prettier --- CHANGELOG.md | 1 - 1 file changed, 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index f5352240..a1c43515 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -13,7 +13,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` - ## v1.4.0 - 2023-11-27 ### `Added` From 3f56135982c8a7503892a208728ac89cdb280da6 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Mon, 27 Nov 2023 16:44:52 +0000 Subject: [PATCH 019/168] Update changelog --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index f5352240..eb6c87af 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,7 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by ) +- [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) ### `Changed` From 0a24c7c75e5529dedbfa18bd870ecbedff5fb418 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 29 Nov 2023 08:38:57 +0100 Subject: [PATCH 020/168] Added filtered DE tables to output; add rounding after gprofiler2 PR is merged --- assets/differentialabundance_report.Rmd | 9 +++++++++ conf/modules.config | 14 +++++++++++--- 2 files changed, 20 insertions(+), 3 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 828ebe03..becc2179 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -302,6 +302,8 @@ treatment-mCherry-hND6-batcheffect.deseq2.results.tsv ... where variable, reference, target and blocking come from the contrasts file (with blocking being optional) and the suffix is defined in parameters. + +Also save the tables again after filtering for DE entries --> ```{r, echo=FALSE} @@ -333,6 +335,13 @@ differential_results <- lapply(differential_files, function(diff_file){ if (! is.null(params$features)){ diff <- merge(features, diff, by.x = params$features_id_col, by.y = params$differential_feature_id_column) } + + # Filter tables by logFC threshold and padj threshold and save to TSV + + filtered_diff <- na.omit(diff[log2(params$differential_min_fold_change) <= abs(diff[[params$differential_fc_column]]) & diff[[params$differential_qval_column]] <= params$differential_max_qval,]) + filtered_diff <- round_dataframe_columns() + write.table(filtered_diff, file=file.path(params$artifact_dir, paste0(basename(tools::file_path_sans_ext(diff_file)), "_filtered.tsv")), sep="\t", quote=F, row.names=F) + diff }) names(differential_results) <- contrasts$id diff --git a/conf/modules.config b/conf/modules.config index 8b3b66e7..c0327e5b 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -393,9 +393,17 @@ process { conda = "bioconda::r-shinyngs=1.8.4" container = { "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.4--r43hdfd78af_0' : 'biocontainers/r-shinyngs:1.8.4--r43hdfd78af_0' }" } publishDir = [ - path: { "${params.outdir}/report" }, - mode: params.publish_dir_mode, - pattern: '*.html' + [ + path: { "${params.outdir}/report" }, + mode: params.publish_dir_mode, + pattern: '*.html' + ], + [ + path: { "${params.outdir}/" }, + mode: params.publish_dir_mode, + pattern: 'artifacts/*_filtered.tsv', + saveAs: { filename -> "tables/de_tables2/${filename.split("\\.", 2)[1]}" } + ] ] } From ffbae15e546fda6bab03d682d284431db6474ed5 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 30 Nov 2023 10:38:12 +0100 Subject: [PATCH 021/168] Renamed round_digits to report_round_digits, excluded gsea from default report params --- assets/differentialabundance_report.Rmd | 4 ++-- conf/modules.config | 4 ++-- nextflow.config | 2 +- workflows/differentialabundance.nf | 5 ++++- 4 files changed, 9 insertions(+), 6 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 1e8e516e..81fa7ad4 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -25,6 +25,7 @@ params: report_author: NULL, report_description: NULL, report_scree: NULL + report_round_digits: NULL observations_type: NULL observations: NULL # GSE156533.samplesheet.csv observations_id_col: NULL @@ -151,7 +152,6 @@ params: gprofiler2_domain_scope: NULL gprofiler2_min_diff: NULL gprofiler2_palette_name: NULL - round_digits: NULL --- @@ -941,7 +941,7 @@ if (length(grep(".html", enrichment_files, fixed=T))) { "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), "Adjusted p value" = all_enriched$p_value, check.names = FALSE) - all_enriched <- round_dataframe_columns(all_enriched, digits=params$round_digits) + all_enriched <- round_dataframe_columns(all_enriched, digits=params$report_round_digits) print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast, " (check", table, "for more detail)"), rownames = FALSE))) cat("\n") } diff --git a/conf/modules.config b/conf/modules.config index cb83b0d6..4fd7ef5e 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -133,7 +133,7 @@ process { "--plotsd_method $params.proteus_plotsd_method", "--plotmv_loess $params.proteus_plotmv_loess", "--palette_name $params.proteus_palette_name", - "--round_digits $params.round_digits" + "--round_digits $params.report_round_digits" ].join(' ').trim() } } @@ -347,7 +347,7 @@ process { "--pval_threshold \"${params.gprofiler2_max_qval}\"", "--domain_scope ${params.gprofiler2_domain_scope}", "--min_diff \"${params.gprofiler2_min_diff}\"", - "--round_digits ${params.round_digits}", + "--round_digits ${params.report_round_digits}", "--palette_name \"${params.gprofiler2_palette_name}\"", ((meta.blocking == null) ? '' : "--blocking_variables $meta.blocking"), ((params.differential_feature_id_column == null) ? '' : "--de_id_column \"${params.differential_feature_id_column}\""), diff --git a/nextflow.config b/nextflow.config index 9f9e0f99..80ca7339 100644 --- a/nextflow.config +++ b/nextflow.config @@ -186,7 +186,7 @@ params { shinyngs_shinyapps_app_name = null // Multi-module options - round_digits = 4 + report_round_digits = 4 // References genome = null diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index f7baddb3..479dc91f 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -618,7 +618,7 @@ workflow DIFFERENTIALABUNDANCE { // Condition params reported on study type - def params_pattern = "report|study|observations|features|filtering|exploratory|differential|gsea|round_digits" + def params_pattern = "report|study|observations|features|filtering|exploratory|differential" if (params.study_type == 'rnaseq'){ params_pattern += "|deseq2" } @@ -631,6 +631,9 @@ workflow DIFFERENTIALABUNDANCE { if (params.gprofiler2_run){ params_pattern += "|gprofiler2" } + if (params.gsea_run){ + params_pattern += "|gsea" + } params_pattern = ~/(${params_pattern}).*/ ch_report_params = ch_report_input_files From ced9196ca3220d89a47f7684d8b50dd2beb81a9b Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 30 Nov 2023 10:52:06 +0100 Subject: [PATCH 022/168] fixed schema, added icons to proteus and gprofiler2 --- nextflow_schema.json | 29 ++++++++++------------------- 1 file changed, 10 insertions(+), 19 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 186f4d53..c803947c 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -298,7 +298,8 @@ "description": "Valid R palette name", "fa_icon": "fas fa-palette" } - } + }, + "fa_icon": "fas fa-table" }, "filtering": { "title": "Filtering", @@ -950,7 +951,8 @@ "description": "Valid R palette name", "help_text": "Check the content of `RColorBrewer::brewer.pal.info` from an R terminal for valid palette names." } - } + }, + "fa_icon": "fas fa-layer-group" }, "shiny_app_settings": { "title": "Shiny app settings", @@ -991,20 +993,6 @@ }, "fa_icon": "fab fa-app-store-ios" }, - "multi_module_settings": { - "title": "Multi module settings", - "type": "object", - "description": "These parameters affect multiple modules in the pipeline.", - "default": "", - "properties": { - "round_digits": { - "type": "integer", - "default": 4, - "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", - "help_text": "This affects output from the following modules (including their result sections in the report): proteus, gprofiler2." - } - } - }, "reporting_options": { "title": "Reporting options", "type": "object", @@ -1065,6 +1053,12 @@ "type": "boolean", "default": true, "description": "Whether to generate a scree plot in the report" + }, + "report_round_digits": { + "type": "integer", + "default": 4, + "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", + "help_text": "This affects output from the following modules (including their result sections in the report): proteus, gprofiler2." } }, "required": ["report_file", "logo_file", "css_file"] @@ -1309,9 +1303,6 @@ { "$ref": "#/definitions/shiny_app_settings" }, - { - "$ref": "#/definitions/multi_module_settings" - }, { "$ref": "#/definitions/reporting_options" }, From 397192b80b95b8a72ae4bf341f1a380e767a9b1d Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Fri, 1 Dec 2023 14:21:01 +0000 Subject: [PATCH 023/168] Update affy/justrma to pull in timeout fix --- modules.json | 2 +- modules/nf-core/affy/justrma/environment.yml | 1 + modules/nf-core/affy/justrma/main.nf | 2 +- modules/nf-core/affy/justrma/meta.yml | 2 +- modules/nf-core/affy/justrma/templates/affy_justrma.R | 2 +- 5 files changed, 5 insertions(+), 4 deletions(-) diff --git a/modules.json b/modules.json index f65a0b01..030a54ac 100644 --- a/modules.json +++ b/modules.json @@ -7,7 +7,7 @@ "nf-core": { "affy/justrma": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "02a65e8871e06bac203dec16985fa3de648c99b6", "installed_by": ["modules"] }, "atlasgeneannotationmanipulation/gtf2featureannotation": { diff --git a/modules/nf-core/affy/justrma/environment.yml b/modules/nf-core/affy/justrma/environment.yml index 587ede1e..b0afd895 100644 --- a/modules/nf-core/affy/justrma/environment.yml +++ b/modules/nf-core/affy/justrma/environment.yml @@ -1,3 +1,4 @@ +name: affy_justrma channels: - conda-forge - bioconda diff --git a/modules/nf-core/affy/justrma/main.nf b/modules/nf-core/affy/justrma/main.nf index 6dcfdf29..62c71d24 100644 --- a/modules/nf-core/affy/justrma/main.nf +++ b/modules/nf-core/affy/justrma/main.nf @@ -2,7 +2,7 @@ process AFFY_JUSTRMA { tag "$meta.id" label 'process_single' - conda 'modules/nf-core/affy/justrma/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/bioconductor-affy:1.78.0--r43ha9d7317_1': 'biocontainers/bioconductor-affy:1.78.0--r43ha9d7317_1' }" diff --git a/modules/nf-core/affy/justrma/meta.yml b/modules/nf-core/affy/justrma/meta.yml index 8b1685fc..cd9b6d6c 100644 --- a/modules/nf-core/affy/justrma/meta.yml +++ b/modules/nf-core/affy/justrma/meta.yml @@ -12,7 +12,7 @@ tools: documentation: "https://www.bioconductor.org/packages/release/bioc/html/affy.html" tool_dev_url: "https://github.com/Bioconductor/affy" doi: "10.1093/bioinformatics/btg405" - licence: "['LGPL >=2.0']" + licence: ["LGPL >=2.0"] input: - meta: type: map diff --git a/modules/nf-core/affy/justrma/templates/affy_justrma.R b/modules/nf-core/affy/justrma/templates/affy_justrma.R index c632b706..e84b532d 100755 --- a/modules/nf-core/affy/justrma/templates/affy_justrma.R +++ b/modules/nf-core/affy/justrma/templates/affy_justrma.R @@ -69,7 +69,7 @@ install_cdf_db <- function(celfile, annotation = FALSE){ if (annotation){ exts <- c(exts, '.db') } - + options(timeout=600) for (package in paste0(cleaned.cdfName, exts)){ install.packages( package, From 25084033008c4e65128f5be4bab4ba2c6f55bbd8 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Fri, 1 Dec 2023 14:49:00 +0000 Subject: [PATCH 024/168] Update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index e2af3ccf..7a0ad7d2 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,6 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by ) - [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) ### `Changed` From ccb10cfece123ae8331c535a91059cc9ae8d5eb7 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Fri, 1 Dec 2023 14:50:02 +0000 Subject: [PATCH 025/168] Poke CI --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 7a0ad7d2..54c02e09 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,7 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by ) +- [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by ) - [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) ### `Changed` From cf71f42e48e088a94cdb774d5bd7cc9c1aad57bf Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Mon, 4 Dec 2023 09:47:49 +0000 Subject: [PATCH 026/168] update changelog --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 54c02e09..0bf50ca5 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,7 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by ) +- [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) ### `Changed` From c80cec0677a276bee8e972ee924d1055a1cc5edd Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Mon, 4 Dec 2023 16:28:07 +0000 Subject: [PATCH 027/168] Fix volcano plot legend --- assets/differentialabundance_report.Rmd | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 828ebe03..30b92f51 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -780,7 +780,7 @@ for (i in 1:nrow(contrasts)){ de_fc <- abs(full_de[[params$differential_fc_column]]) >= log2(params$differential_min_fold_change) - de_fc_label <- paste("abs(logFC) >=", params$differential_min_fold_change) + de_fc_label <- paste("abs(logFC) >=", log2(params$differential_min_fold_change)) de_pval <- full_de[[pval_column]] <= p_value_thresholds[[pvt]] de_pval_label <- paste(pvt, "<=", p_value_thresholds[[pvt]]) @@ -957,4 +957,4 @@ print( htmltools::tagList(datatable(versions_table, caption = "Software versions ```{r, echo=FALSE, results='asis'} htmltools::includeMarkdown(params$citations) -``` \ No newline at end of file +``` From e4bfbf938179a8143691542e99fa9dd43bf7445d Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 5 Dec 2023 08:55:14 +0000 Subject: [PATCH 028/168] Update CHANGELOG --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 0bf50ca5..6c7356d9 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,6 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#213](https://github.com/nf-core/differentialabundance/pull/213)] - Fix volcano plot legend ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) From 04c90846f95090bf66259c253ec1b3e04847d2ed Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 5 Dec 2023 16:32:59 +0100 Subject: [PATCH 029/168] Combined gprofiler with gsea section in report results; added short gsea docu; replaced gsea with gprofiler in test config (gsea is still tested in test_affy); moved round_digits and gene_sets to new mods_ param category --- assets/differentialabundance_report.Rmd | 102 +++++++++--------- conf/modules.config | 9 +- conf/test.config | 5 - docs/usage.md | 22 +++- modules/nf-core/gprofiler2/gost/main.nf | 2 +- .../gost/templates/gprofiler2_gost.R | 36 +++++-- nextflow.config | 7 +- nextflow_schema.json | 26 +++-- workflows/differentialabundance.nf | 38 +++---- 9 files changed, 137 insertions(+), 110 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 81fa7ad4..d8cd9990 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -26,6 +26,8 @@ params: report_description: NULL, report_scree: NULL report_round_digits: NULL + mods_gene_sets: NULL + mods_round_digits: NULL observations_type: NULL observations: NULL # GSE156533.samplesheet.csv observations_id_col: NULL @@ -136,7 +138,6 @@ params: gsea_save_rnd_lists: NULL gsea_zip_report: NULL gsea_chip_file: NULL - gsea_gene_sets: NULL gprofiler2_run: false gprofiler2_organism: NULL gprofiler2_significant: NULL @@ -881,72 +882,71 @@ for (i in 1:nrow(contrasts)){ } } } - } ``` ```{r, echo=FALSE, results='asis'} -possible_gene_set_methods <- c('gsea') +possible_gene_set_methods <- c('gsea', 'gprofiler2') if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ cat("\n### Gene set analysis\n") for (gene_set_method in possible_gene_set_methods){ if (unlist(params[paste0(gene_set_method, '_run')])){ cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") - - for (gmt_file in simpleSplit(params$gsea_gene_sets)) { - gmt_name <- basename(tools::file_path_sans_ext(gmt_file)) - cat("\n##### ", gmt_name ," {.tabset}\n") - reference_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$reference, '.tsv') - target_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$target, '.tsv') - for (i in 1:nrow(contrasts)){ - cat("\n###### ", contrast_descriptions[i], "\n") - target_gsea_results <- read_metadata(target_gsea_tables[i])[,c(-2,-3)] - print( htmltools::tagList(datatable(target_gsea_results, caption = paste0("\nTarget (", contrasts$target[i], ")\n"), rownames = FALSE) )) - ref_gsea_results <- read_metadata(reference_gsea_tables[i])[,c(-2,-3)] - print( htmltools::tagList(datatable(ref_gsea_results, caption = paste0("\nReference (", contrasts$reference[i], ")\n"), rownames = FALSE) )) + if (gene_set_method == 'gsea') { + for (gmt_file in simpleSplit(params$mods_gene_sets)) { + gmt_name <- basename(tools::file_path_sans_ext(gmt_file)) + cat("\n##### ", gmt_name ," {.tabset}\n") + + reference_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$reference, '.tsv') + target_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$target, '.tsv') + for (i in 1:nrow(contrasts)){ + cat("\n###### ", contrast_descriptions[i], "\n") + target_gsea_results <- read_metadata(target_gsea_tables[i])[,c(-2,-3)] + print( htmltools::tagList(datatable(target_gsea_results, caption = paste0("\nTarget (", contrasts$target[i], ")\n"), rownames = FALSE) )) + ref_gsea_results <- read_metadata(reference_gsea_tables[i])[,c(-2,-3)] + print( htmltools::tagList(datatable(ref_gsea_results, caption = paste0("\nReference (", contrasts$reference[i], ")\n"), rownames = FALSE) )) + } } - } - } - } -} -``` -```{r, echo=FALSE, results='asis', eval=params$gprofiler2_run} -enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) -cat(paste0("\n### Pathway enrichment analysis {.tabset}")) -if (length(grep(".html", enrichment_files, fixed=T))) { - cat(paste0("\nThis section contains the results of the pathway analysis which was done with the R package gprofiler2. The plots show the -log10 adjusted p values of each pathway which was found to be enriched for differential genes (if necessary determined by converting feature IDs to gene IDs); if possible, pathways are grouped by their source database. The tables below give additional info for each pathway; the differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", - ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <=", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) - - for (html in rev(grep(".html", enrichment_files, value=T, fixed=T))) { - contrast <- unlist(strsplit(html, "gprofiler2.", fixed=T))[2] - contrast <- unlist(strsplit(contrast, ".gostplot", fixed=T))[1] - if (! file.exists(file.path(params$input_dir, html))){ - stop(paste("gprofiler2 gost plot", file.path(params$input_dir, html), "does not exist")) - } - - cat(paste0("\n#### ", contrast, "\n")) - cat(paste0('')) - - table <- paste0("gprofiler2.", contrast, ".all_enriched_pathways.tsv") - - if (! file.exists(file.path(params$input_dir, table))){ - stop(paste("gprofiler2 enrichment table", file.path(params$input_dir, table), "does not exist")) + } else if (gene_set_method == 'gprofiler2') { + enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) + if (length(grep(".html", enrichment_files, fixed=T))) { + cat(paste0("\nThis section contains the results of the pathway analysis which was done with the R package gprofiler2. The plots show the -log10 adjusted p values of each pathway which was found to be enriched for differential genes (if necessary determined by converting feature IDs to gene IDs); if possible, pathways are grouped by their source database. The tables below give additional info for each pathway; the differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", + ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <= ", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) + + for (html in rev(grep(".html", enrichment_files, value=T, fixed=T))) { + contrast <- unlist(strsplit(html, "gprofiler2.", fixed=T))[2] + contrast <- unlist(strsplit(contrast, ".gostplot", fixed=T))[1] + if (! file.exists(file.path(params$input_dir, html))){ + stop(paste("gprofiler2 gost plot", file.path(params$input_dir, html), "does not exist")) + } + + cat(paste0("\n##### ", contrast, "\n")) + cat(paste0('')) + + table <- paste0("gprofiler2.", contrast, ".all_enriched_pathways.tsv") + + if (! file.exists(file.path(params$input_dir, table))){ + stop(paste("gprofiler2 enrichment table", file.path(params$input_dir, table), "does not exist")) + } + all_enriched <- read.table(file.path(params$input_dir, table), header=T, sep="\t", quote="\"") + all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, + "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, + "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), + "Adjusted p value" = all_enriched$p_value, check.names = FALSE) + all_enriched <- round_dataframe_columns(all_enriched, digits=params$mods_round_digits) + print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast, " (check", table, "for more detail)"), rownames = FALSE))) + cat("\n") + } + } else { + cat(paste0("\nPathway analysis which was done with the R package gprofiler2. No enriched pathways were found.")) + } + } } - all_enriched <- read.table(file.path(params$input_dir, table), header=T, sep="\t", quote="\"") - all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, - "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, - "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), - "Adjusted p value" = all_enriched$p_value, check.names = FALSE) - all_enriched <- round_dataframe_columns(all_enriched, digits=params$report_round_digits) - print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast, " (check", table, "for more detail)"), rownames = FALSE))) - cat("\n") } -} else { - cat(paste0("\nPathway analysis which was done with the R package gprofiler2. No enriched pathways were found.")) } ``` diff --git a/conf/modules.config b/conf/modules.config index 4fd7ef5e..2fffe15e 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -133,7 +133,7 @@ process { "--plotsd_method $params.proteus_plotsd_method", "--plotmv_loess $params.proteus_plotmv_loess", "--palette_name $params.proteus_palette_name", - "--round_digits $params.report_round_digits" + "--round_digits $params.mods_round_digits" ].join(' ').trim() } } @@ -316,7 +316,7 @@ process { ].join(' ').trim() } } - withName: GOST { + withName: GPROFILER2_GOST { publishDir = [ [ path: { "${params.outdir}/tables/gprofiler2/${meta.id}/" }, @@ -347,12 +347,13 @@ process { "--pval_threshold \"${params.gprofiler2_max_qval}\"", "--domain_scope ${params.gprofiler2_domain_scope}", "--min_diff \"${params.gprofiler2_min_diff}\"", - "--round_digits ${params.report_round_digits}", + "--round_digits ${params.mods_round_digits}", "--palette_name \"${params.gprofiler2_palette_name}\"", ((meta.blocking == null) ? '' : "--blocking_variables $meta.blocking"), ((params.differential_feature_id_column == null) ? '' : "--de_id_column \"${params.differential_feature_id_column}\""), ((params.gprofiler2_gost_token == null) ? '' : "--gost_token \"${params.gprofiler2_gost_token}\""), - ((params.gprofiler2_background_column == null) ? '' : "--background_column \"${params.gprofiler2_background_column}\"") + ((params.gprofiler2_background_column == null) ? '' : "--background_column \"${params.gprofiler2_background_column}\""), + ((params.gprofiler2_sources == null) ? '' : "--sources \"${params.gprofiler2_sources}\"") ].join(' ').trim() } } diff --git a/conf/test.config b/conf/test.config index b6e649c1..676dfe64 100644 --- a/conf/test.config +++ b/conf/test.config @@ -45,12 +45,7 @@ params { // Test dataset is too small for the nsub default value deseq2_vst_nsub = 500 - // Activate GSEA - gsea_run = true - gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' - // Activate gprofiler2 gprofiler2_run = true gprofiler2_organism = 'mmusculus' - gprofiler2_sources = 'KEGG,REAC' } diff --git a/docs/usage.md b/docs/usage.md index 38a9b95f..64e37b6b 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -269,17 +269,29 @@ With this configuration in place deployment should happen automatically every ti There is also a [Shiny server application](https://posit.co/download/shiny-server/), which you can install on your own infrastruture and use to host applications yourself. -## Pathway enrichment analysis +## Gene set enrichment analysis -Currently, the [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gprofiler2.html) package can be used to test which pathways are enriched for genes that have been determined to be differentially expressed. In the simplest form, this feature can be enabled with the parameters from the following example: +Currently, two tools can be used to do gene set enrichment analysis. + +### g:Profiler + +The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gprofiler2.html) package can be used to test which pathways are enriched for genes that have been determined to be differentially expressed; it is an R interface for the g:Profiler webtool. In the simplest form, this feature can be enabled with the parameters from the following example: ```bash --gprofiler2_run true \ ---gprofiler2_organism mmusculus \ ---gprofiler2_sources 'KEGG,GO' +--gprofiler2_organism mmusculus ``` -Both the organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) and the source databases (any comma-separated combination of the databases supported by g:profiler) are required. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for optional parameters for this step. +The organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) is required. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for optional parameters for this step. + +### GSEA + +[GSEA](https://www.gsea-msigdb.org/gsea/index.jsp) tests for differential genes from within a user-provided set of genes; this requires a GMT or GMX file. The following example shows how to enable this: + +```bash +--gsea_run true \ +--mods_gene_sets gene_sets.gmt +``` ## Running the pipeline diff --git a/modules/nf-core/gprofiler2/gost/main.nf b/modules/nf-core/gprofiler2/gost/main.nf index abef7105..be49fbc6 100644 --- a/modules/nf-core/gprofiler2/gost/main.nf +++ b/modules/nf-core/gprofiler2/gost/main.nf @@ -10,7 +10,7 @@ process GPROFILER2_GOST { input: tuple val(meta), val(contrast_variable), val(reference), val(target) tuple val(meta1), path(de_file) - tuple val(organism), val(sources) + val(organism) path(gmt_file) path(background_file) diff --git a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R index 7a5d21f0..b0698f97 100644 --- a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R +++ b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R @@ -125,7 +125,7 @@ opt <- list( de_file = '$de_file', de_id_column = 'gene_id', organism = '$organism', - sources = '$sources', + sources = NULL, contrast_variable = '$contrast_variable', reference_level = '$reference', target_level = '$target', @@ -164,7 +164,7 @@ for ( ao in names(args_opt)) { } # Check if required parameters have been provided -required_opts <- c('organism', 'sources', 'contrast_variable', 'reference_level', 'target_level') +required_opts <- c('organism', 'contrast_variable', 'reference_level', 'target_level') missing <- required_opts[unlist(lapply(opt[required_opts], is.null)) | ! required_opts %in% names(opt)] if (length(missing) > 0) { @@ -228,7 +228,10 @@ if (!is.null(opt\$blocking_variables)) { # Create empty output table in case no enriched pathways are found file.create(paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.')) -sources <- strsplit(opt\$sources, split = ",")[[1]] +sources <- opt\$sources +if (!is.null(sources)) { + sources <- strsplit(opt\$sources, split = ",")[[1]] +} if (!is.null(opt\$gost_token)) { @@ -236,10 +239,16 @@ if (!is.null(opt\$gost_token)) { gost_token <- opt\$gost_token } else if (opt\$gmt_file != "") { - # Next check if custom GMT file was provided; extract only requested datasources (gprofiler will NOT filter automatically!) - gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(opt\$gmt)) - gmt_path <- paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_filtered.gmt") - writeLines(gmt, gmt_path) + # Next check if custom GMT file was provided + gmt_path <- opt\$gmt_file + + # If sources are set, extract only requested entries (gprofiler will NOT filter automatically!) + if (!is.null(sources)) { + gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(opt\$gmt)) + gmt_path <- paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_filtered.gmt") + writeLines(gmt, gmt_path) + } + gost_token <- upload_GMT_file(gmt_path) # Add gost ID to output GMT name so that it can be reused in future runs @@ -250,16 +259,21 @@ if (!is.null(opt\$gost_token)) { gmt_url <- paste0("https://biit.cs.ut.ee/gprofiler//static/gprofiler_full_", opt\$organism, ".ENSG.gmt") tryCatch( { - gmt_path <- paste0("gprofiler_full_", opt\$organism, ".", paste(sources, collapse="_"), ".ENSG_filtered.gmt") + gmt_path <- paste0("gprofiler_full_", opt\$organism, ".ENSG.gmt") + if (!is.null(sources)) { + gmt_path <- paste0("gprofiler_full_", opt\$organism, ".", paste(sources, collapse="_"), ".ENSG_filtered.gmt") + } download <- download.file(gmt_url, gmt_path) if (download != 0) { print("Failed to fetch the GMT file from gprofiler with this URL:") print(gmt_url) print("For reproducibility reasons, try to download the GMT file manually by visiting https://biit.cs.ut.ee/gprofiler/gost, then selecting the correct organism and, in datasources, clicking 'combined ENSG.gmt'.") } else { - gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(gmt_path)) - print(paste0("GMT file successfully downloaded and filtered. Please note that for some sources, the GMT file may not contain any entries as these cannot be retrieved from gprofiler; in this case, the GMT file may be completely empty.")) - writeLines(gmt, gmt_path) + if (!is.null(sources)) { + gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(gmt_path)) + print(paste0("GMT file successfully downloaded and filtered. Please note that for some sources, the GMT file may not contain any entries as these cannot be retrieved from gprofiler; in this case, the GMT file may be completely empty.")) + writeLines(gmt, gmt_path) + } } }, error=function(gost_error) { diff --git a/nextflow.config b/nextflow.config index ef91d1b4..418c9a3d 100644 --- a/nextflow.config +++ b/nextflow.config @@ -154,8 +154,6 @@ params { gsea_save_rnd_lists = false gsea_zip_report = false - gsea_gene_sets = null - // gprofiler2 options gprofiler2_run = false gprofiler2_organism = null @@ -165,9 +163,7 @@ params { gprofiler2_sources = null gprofiler2_evcodes = false gprofiler2_max_qval = 0.05 - gprofiler2_gmt_file = null gprofiler2_gost_token = null - gprofiler2_gmt_file = null gprofiler2_background_file = null gprofiler2_background_column = null gprofiler2_domain_scope = 'annotated' @@ -186,7 +182,8 @@ params { shinyngs_shinyapps_app_name = null // Multi-module options - report_round_digits = 4 + mods_gene_sets = null + mods_round_digits = 4 // References genome = null diff --git a/nextflow_schema.json b/nextflow_schema.json index c803947c..9c8ccb0a 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -850,12 +850,6 @@ "description": "Make a zipped file with all reports", "help_text": "Set to True (default=false) to create a zip file of the analysis results. The zip file is saved to the output folder with all of the other files generated by the analysis. This is useful for sharing analysis results", "fa_icon": "fas fa-file-archive" - }, - "gsea_gene_sets": { - "type": "string", - "default": "None", - "description": "Gene sets in GMT or GMX-format (multiple comma-separated input files are possible)", - "fa_icon": "fas fa-bars" } }, "fa_icon": "fas fa-layer-group" @@ -1094,6 +1088,26 @@ } } }, + "module_input_options": { + "title": "Additional options for multiple modules", + "type": "object", + "fa_icon": "fas fa-cogs", + "description": "Files and options used by multiple modules.", + "properties": { + "mods_gene_sets": { + "type": "string", + "default": "None", + "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files are possible. For gprofiler2: One GMT file is possible.", + "fa_icon": "fas fa-bars" + }, + "mods_round_digits": { + "type": "integer", + "default": 4, + "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", + "help_text": "This affects output from the following modules (both their tabular output and their result sections in the report): proteus, gprofiler2." + } + } + }, "institutional_config_options": { "title": "Institutional config options", "type": "object", diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 479dc91f..c9458c12 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -67,8 +67,8 @@ if (params.study_type == 'affy_array'){ if (params.transcript_length_matrix) { ch_transcript_lengths = Channel.of([ exp_meta, file(params.transcript_length_matrix, checkIfExists: true)]).first() } else { ch_transcript_lengths = [[],[]] } if (params.control_features) { ch_control_features = Channel.of([ exp_meta, file(params.control_features, checkIfExists: true)]).first() } else { ch_control_features = [[],[]] } if (params.gsea_run) { - if (params.gsea_gene_sets){ - gene_sets_files = params.gsea_gene_sets.split(",") + if (params.mods_gene_sets){ + gene_sets_files = params.mods_gene_sets.split(",") ch_gene_sets = Channel.of(gene_sets_files).map { file(it, checkIfExists: true) } } else { error("GSEA activated but gene set file not specified!") @@ -81,9 +81,6 @@ if (params.gprofiler2_run) { if (!params.gprofiler2_organism){ error("gprofiler2 pathway analysis activated but organism not specified!") } - if (!params.gprofiler2_sources){ - error("gprofiler2 pathway analysis activated but sources not specified!") - } } report_file = file(params.report_file, checkIfExists: true) @@ -128,7 +125,7 @@ include { LIMMA_DIFFERENTIAL } from '../modules/n include { CUSTOM_MATRIXFILTER } from '../modules/nf-core/custom/matrixfilter/main' include { ATLASGENEANNOTATIONMANIPULATION_GTF2FEATUREANNOTATION as GTF_TO_TABLE } from '../modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/main' include { GSEA_GSEA } from '../modules/nf-core/gsea/gsea/main' -include { GPROFILER2_GOST as GOST } from '../modules/nf-core/gprofiler2/gost/main' +include { GPROFILER2_GOST } from '../modules/nf-core/gprofiler2/gost/main' include { CUSTOM_TABULARTOGSEAGCT } from '../modules/nf-core/custom/tabulartogseagct/main' include { CUSTOM_TABULARTOGSEACLS } from '../modules/nf-core/custom/tabulartogseacls/main' include { RMARKDOWNNOTEBOOK } from '../modules/nf-core/rmarkdownnotebook/main' @@ -467,7 +464,7 @@ workflow DIFFERENTIALABUNDANCE { } if (params.gprofiler2_run) { - ch_org_source = Channel.value([ params.gprofiler2_organism, params.gprofiler2_sources ]) + ch_organism = Channel.value(params.gprofiler2_organism) if (!params.gprofiler2_background_file) { // If param not set, use empty list as "background" ch_background = [] @@ -479,22 +476,19 @@ workflow DIFFERENTIALABUNDANCE { ch_background = ch_raw.map{it.tail()} } } else { - if (!file(params.gprofiler2_background_file).exists()) { - error("Param gprofiler2_background_file must be null, 'auto' or valid file path!") - } - ch_background = Channel.fromPath(params.gprofiler2_background_file) + ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) } - if (!params.gprofiler2_gmt_file) { - ch_gmt = [] + if (!params.mods_gene_sets) { + ch_gene_sets = [] } else { - ch_gmt = Channel.value(params.gprofiler2_gmt_file) + ch_gene_sets = Channel.value(params.mods_gene_sets) } - GOST( + GPROFILER2_GOST( ch_contrasts, ch_differential, - ch_org_source, - ch_gmt, + ch_organism, + ch_gene_sets, ch_background ) } @@ -577,10 +571,10 @@ workflow DIFFERENTIALABUNDANCE { if (params.gprofiler2_run){ ch_report_input_files = ch_report_input_files - .combine(GOST.out.plot_html.map{it[1]}.flatMap().toList()) - .combine(GOST.out.all_enrich.map{it[1]}.flatMap().toList()) - .combine(GOST.out.sub_enrich.map{it[1]}.flatMap().toList()) - GOST.out.plot_html + .combine(GPROFILER2_GOST.out.plot_html.map{it[1]}.flatMap().toList()) + .combine(GPROFILER2_GOST.out.all_enrich.map{it[1]}.flatMap().toList()) + .combine(GPROFILER2_GOST.out.sub_enrich.map{it[1]}.flatMap().toList()) + GPROFILER2_GOST.out.plot_html } if (params.shinyngs_build_app){ @@ -618,7 +612,7 @@ workflow DIFFERENTIALABUNDANCE { // Condition params reported on study type - def params_pattern = "report|study|observations|features|filtering|exploratory|differential" + def params_pattern = "report|mods|study|observations|features|filtering|exploratory|differential" if (params.study_type == 'rnaseq'){ params_pattern += "|deseq2" } From ddeed39967bacbc7f3d43e98185b3b509dae973e Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 5 Dec 2023 16:37:25 +0100 Subject: [PATCH 030/168] Changed param name in two configs --- conf/test_affy.config | 2 +- conf/test_full.config | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/conf/test_affy.config b/conf/test_affy.config index a8db1409..252d5274 100644 --- a/conf/test_affy.config +++ b/conf/test_affy.config @@ -42,5 +42,5 @@ params { // Activate GSEA gsea_run = true - gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/differentialabundance/testdata/h.all.v2022.1.Hs.symbols.gmt' + mods_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/differentialabundance/testdata/h.all.v2022.1.Hs.symbols.gmt' } diff --git a/conf/test_full.config b/conf/test_full.config index 2b9bcd9f..d466fda1 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -34,7 +34,7 @@ params { // Activate GSEA gsea_run = true - gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' + mods_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' // Activate gprofiler2 gprofiler2_run = true From 5250c225e82b0c46d3d7af42f89c659fb7a07674 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 5 Dec 2023 16:42:50 +0100 Subject: [PATCH 031/168] Fixed some old params --- assets/differentialabundance_report.Rmd | 2 - nextflow_schema.json | 56 ++++++++++--------------- 2 files changed, 23 insertions(+), 35 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index bdded1f0..6e4fc492 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -25,7 +25,6 @@ params: report_author: NULL, report_description: NULL, report_scree: NULL - report_round_digits: NULL mods_gene_sets: NULL mods_round_digits: NULL observations_type: NULL @@ -146,7 +145,6 @@ params: gprofiler2_sources: NULL gprofiler2_evcodes: NULL gprofiler2_max_qval: NULL - gprofiler2_gmt_file: NULL gprofiler2_gost_token: NULL gprofiler2_background_file: NULL gprofiler2_background_column: NULL diff --git a/nextflow_schema.json b/nextflow_schema.json index 9c8ccb0a..ef446546 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -904,13 +904,6 @@ "default": 0.05, "description": "Maximum q value used for significance testing." }, - "gprofiler2_gmt_file": { - "type": "string", - "format": "file-path", - "pattern": "^\\S+\\.(gmt)$", - "description": "Path to GMT file that should be used as a query.", - "help_text": "For reproducibility, instead of querying the online databases, you can provide a GMT file, e.g. from a previous pipeline run or one you downloaded from https://biit.cs.ut.ee/gprofiler/gost." - }, "gprofiler2_gost_token": { "type": "string", "description": "Token that should be used as a query.", @@ -987,6 +980,26 @@ }, "fa_icon": "fab fa-app-store-ios" }, + "module_input_options": { + "title": "Additional options for multiple modules", + "type": "object", + "fa_icon": "fas fa-cogs", + "description": "Files and options used by multiple modules.", + "properties": { + "mods_gene_sets": { + "type": "string", + "default": "None", + "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files are possible. For gprofiler2: One GMT file is possible.", + "fa_icon": "fas fa-bars" + }, + "mods_round_digits": { + "type": "integer", + "default": 4, + "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", + "help_text": "This affects output from the following modules (both their tabular output and their result sections in the report): proteus, gprofiler2." + } + } + }, "reporting_options": { "title": "Reporting options", "type": "object", @@ -1047,12 +1060,6 @@ "type": "boolean", "default": true, "description": "Whether to generate a scree plot in the report" - }, - "report_round_digits": { - "type": "integer", - "default": 4, - "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", - "help_text": "This affects output from the following modules (including their result sections in the report): proteus, gprofiler2." } }, "required": ["report_file", "logo_file", "css_file"] @@ -1088,26 +1095,6 @@ } } }, - "module_input_options": { - "title": "Additional options for multiple modules", - "type": "object", - "fa_icon": "fas fa-cogs", - "description": "Files and options used by multiple modules.", - "properties": { - "mods_gene_sets": { - "type": "string", - "default": "None", - "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files are possible. For gprofiler2: One GMT file is possible.", - "fa_icon": "fas fa-bars" - }, - "mods_round_digits": { - "type": "integer", - "default": 4, - "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", - "help_text": "This affects output from the following modules (both their tabular output and their result sections in the report): proteus, gprofiler2." - } - } - }, "institutional_config_options": { "title": "Institutional config options", "type": "object", @@ -1317,6 +1304,9 @@ { "$ref": "#/definitions/shiny_app_settings" }, + { + "$ref": "#/definitions/module_input_options" + }, { "$ref": "#/definitions/reporting_options" }, From 8519c11a583bd8c0bd2c5982973dc09211ecc986 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 8 Dec 2023 09:20:10 +0100 Subject: [PATCH 032/168] added difftable filtering module, added short docu section for gsea, renamed params --- CHANGELOG.md | 2 +- assets/differentialabundance_report.Rmd | 45 +-- conf/modules.config | 15 +- conf/test.config | 1 + conf/test_affy.config | 2 +- conf/test_full.config | 4 +- docs/usage.md | 2 +- modules/local/filter_difftable.nf | 61 +++ .../gost/templates/gprofiler2_gost.R | 356 +++++++++--------- nextflow.config | 6 +- nextflow_schema.json | 22 +- workflows/differentialabundance.nf | 28 +- 12 files changed, 313 insertions(+), 231 deletions(-) create mode 100644 modules/local/filter_difftable.nf diff --git a/CHANGELOG.md b/CHANGELOG.md index b4a6f29c..cd43b2f6 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -20,7 +20,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` - [[#203](https://github.com/nf-core/differentialabundance/pull/203)] - Transcript lengths for DESeq2 ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) -- [[#199](https://github.com/nf-core/differentialabundance/pull/199)] - Add gprofiler2 module([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#199](https://github.com/nf-core/differentialabundance/pull/199)] - Add gprofiler2 module and local differential table filtering module ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#193](https://github.com/nf-core/differentialabundance/pull/193)] - Add DESeq2 text to report ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#192](https://github.com/nf-core/differentialabundance/pull/192)] - Add scree plot in report ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#189](https://github.com/nf-core/differentialabundance/pull/189)] - Add DE models to report ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 6e4fc492..8694b8a8 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -25,8 +25,8 @@ params: report_author: NULL, report_description: NULL, report_scree: NULL - mods_gene_sets: NULL - mods_round_digits: NULL + gene_set_files: NULL + report_round_digits: NULL observations_type: NULL observations: NULL # GSE156533.samplesheet.csv observations_id_col: NULL @@ -894,7 +894,7 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ if (unlist(params[paste0(gene_set_method, '_run')])){ cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") if (gene_set_method == 'gsea') { - for (gmt_file in simpleSplit(params$mods_gene_sets)) { + for (gmt_file in simpleSplit(params$gene_set_files)) { gmt_name <- basename(tools::file_path_sans_ext(gmt_file)) cat("\n##### ", gmt_name ," {.tabset}\n") @@ -911,32 +911,33 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ } else if (gene_set_method == 'gprofiler2') { enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) - if (length(grep(".html", enrichment_files, fixed=T))) { - cat(paste0("\nThis section contains the results of the pathway analysis which was done with the R package gprofiler2. The plots show the -log10 adjusted p values of each pathway which was found to be enriched for differential genes (if necessary determined by converting feature IDs to gene IDs); if possible, pathways are grouped by their source database. The tables below give additional info for each pathway; the differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", + tsv_files <- grep(".tsv", enrichment_files, fixed=T) + if (length(tsv_files)) { + + cat(paste0("\nThis section contains the results tables of the pathway analysis which was done with the R package gprofiler2. The differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <= ", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) - for (html in rev(grep(".html", enrichment_files, value=T, fixed=T))) { - contrast <- unlist(strsplit(html, "gprofiler2.", fixed=T))[2] - contrast <- unlist(strsplit(contrast, ".gostplot", fixed=T))[1] - if (! file.exists(file.path(params$input_dir, html))){ - stop(paste("gprofiler2 gost plot", file.path(params$input_dir, html), "does not exist")) + for (i in 1:nrow(contrasts)) { + contrast_name <- paste(contrasts$variable[i], contrasts$reference[i], contrasts$target[i], sep = '_') + contrast_name <- paste('gprofiler2', contrast_name, sep = '.') + if (contrasts$blocking[i] != "") { + blocking_variables <- paste(make.names(unlist(strsplit(contrasts$blocking[i], split = ','))), collapse = '_') + contrast_name <- paste(contrast_name, blocking_variables, sep= '_') } - - cat(paste0("\n##### ", contrast, "\n")) - cat(paste0('')) - - table <- paste0("gprofiler2.", contrast, ".all_enriched_pathways.tsv") - + table <- paste0(contrast_name, ".all_enriched_pathways.tsv") if (! file.exists(file.path(params$input_dir, table))){ stop(paste("gprofiler2 enrichment table", file.path(params$input_dir, table), "does not exist")) } + all_enriched <- read.table(file.path(params$input_dir, table), header=T, sep="\t", quote="\"") all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), "Adjusted p value" = all_enriched$p_value, check.names = FALSE) - all_enriched <- round_dataframe_columns(all_enriched, digits=params$mods_round_digits) - print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast, " (check", table, "for more detail)"), rownames = FALSE))) + all_enriched <- round_dataframe_columns(all_enriched, digits=params$report_round_digits) + + cat(paste0("\n##### ", contrasts$id[i], "\n")) + print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast_name, " (check", table, "for more detail)"), rownames = FALSE))) cat("\n") } } else { @@ -999,7 +1000,7 @@ make_params_table('downstream differential analysis', 'differential_', remove_pa ```{r, echo=FALSE, results='asis'} -possible_gene_set_methods <- c('gsea') +possible_gene_set_methods <- c('gsea', 'gprofiler2') if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ cat("\n### Gene set analysis\n") @@ -1014,12 +1015,6 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ } ``` -```{r, echo=FALSE, results='asis', eval=params$gprofiler2_run} -cat("\n### Pathway enrichment analysis\n") -cat("\n#### gprofiler2\n") -make_params_table("gprofiler2", 'gprofiler2_', remove_pattern = TRUE) -``` - # Appendices ## All parameters diff --git a/conf/modules.config b/conf/modules.config index 2fffe15e..f0bc1655 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -133,7 +133,7 @@ process { "--plotsd_method $params.proteus_plotsd_method", "--plotmv_loess $params.proteus_plotmv_loess", "--palette_name $params.proteus_palette_name", - "--round_digits $params.mods_round_digits" + "--round_digits $params.report_round_digits" ].join(' ').trim() } } @@ -281,6 +281,17 @@ process { ].join(' ').trim() } } + withName: FILTER_DIFFTABLE { + ext.prefix = { "${meta.id}" } + publishDir = [ + [ + path: { "${params.outdir}/tables/differential" }, + mode: params.publish_dir_mode, + pattern: '*_filtered.tsv' + ] + ] + } + withName: GSEA_GSEA { ext.prefix = { "${meta.id}.${gene_sets.baseName}." } publishDir = [ @@ -347,7 +358,7 @@ process { "--pval_threshold \"${params.gprofiler2_max_qval}\"", "--domain_scope ${params.gprofiler2_domain_scope}", "--min_diff \"${params.gprofiler2_min_diff}\"", - "--round_digits ${params.mods_round_digits}", + "--round_digits ${params.report_round_digits}", "--palette_name \"${params.gprofiler2_palette_name}\"", ((meta.blocking == null) ? '' : "--blocking_variables $meta.blocking"), ((params.differential_feature_id_column == null) ? '' : "--de_id_column \"${params.differential_feature_id_column}\""), diff --git a/conf/test.config b/conf/test.config index 676dfe64..59bbeee1 100644 --- a/conf/test.config +++ b/conf/test.config @@ -48,4 +48,5 @@ params { // Activate gprofiler2 gprofiler2_run = true gprofiler2_organism = 'mmusculus' + gene_set_files = '/home-link/iivow01/git/differentialabundance/testdata/combo_gprofiler_hallmark_mmusculus.gmt' } diff --git a/conf/test_affy.config b/conf/test_affy.config index 252d5274..de9f5332 100644 --- a/conf/test_affy.config +++ b/conf/test_affy.config @@ -42,5 +42,5 @@ params { // Activate GSEA gsea_run = true - mods_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/differentialabundance/testdata/h.all.v2022.1.Hs.symbols.gmt' + gene_set_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/differentialabundance/testdata/h.all.v2022.1.Hs.symbols.gmt' } diff --git a/conf/test_full.config b/conf/test_full.config index d466fda1..bbf68d62 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -33,8 +33,8 @@ params { report_description = "This is a full-sized test dataset contributed by Oskar Wacker" // Activate GSEA - gsea_run = true - mods_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' + gsea_run = false +// gene_set_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' // Activate gprofiler2 gprofiler2_run = true diff --git a/docs/usage.md b/docs/usage.md index 64e37b6b..47fc8e56 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -290,7 +290,7 @@ The organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) is req ```bash --gsea_run true \ ---mods_gene_sets gene_sets.gmt +--gene_set_files gene_sets.gmt ``` ## Running the pipeline diff --git a/modules/local/filter_difftable.nf b/modules/local/filter_difftable.nf new file mode 100644 index 00000000..01cd099d --- /dev/null +++ b/modules/local/filter_difftable.nf @@ -0,0 +1,61 @@ +process FILTER_DIFFTABLE { + + label 'process_single' + + conda "conda-forge::gawk=5.1.0" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/gawk:5.1.0' : + 'biocontainers/gawk:5.1.0' }" + + input: + tuple val(meta), path(tsv) + tuple val(logFC_column), val(logFC_threshold) + tuple val(padj_column), val(padj_threshold) + + output: + tuple val(meta), path("*_filtered.tsv") , emit: filtered + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def VERSION = '9.1' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions. + """ + function find_column_number { + file=\$1 + column=\$2 + + head -n 1 \$file | tr '\\t' '\\n' | grep -n "^\${column}\$" | awk -F':' '{print \$1}' + } + + # export the two threshold as otherwise, awk will for some reason interpret them incorrectly; padj_threshold 0.05 then becomes 0 + export logFC_threshold + export padj_threshold + + + logFC_threshold=$logFC_threshold + padj_threshold=$padj_threshold + + logFC_col=\$(find_column_number $tsv $logFC_column) + padj_col=\$(find_column_number $tsv $padj_column) + outfile=\$(echo $tsv | sed 's/\\(.*\\)\\..*/\\1/')_filtered.tsv + + head -n 1 $tsv > \${outfile}.tmp + + # The following snippet performs the following checks on each row (add +0.0 to the numbers so that they are definitely treated as numerics): + # 1. Check that the current logFC/padj is not NA + # 2. Check that the current logFC is >= threshold (abs does not work, so use a workaround) + # 3. Check that the current padj is <= threshold + # If this is true, the row is written to the new file, otherwise not + tail -n +2 $tsv | awk -F'\\t' -v logFC_col=\$logFC_col -v padj_col=\$padj_col ' + \$logFC_col != "NA" && \$padj_col != "NA" && (\$logFC_col+0.0 >= 0 ? \$logFC_col+0.0 >= ENVIRON["logFC_threshold"]+0.0 : -(\$logFC_col+0.0) >= ENVIRON["logFC_threshold"]+0.0) && \$padj_col+0.0 <= ENVIRON["padj_threshold"]+0.0 {print}' >> \${outfile}.tmp + + mv \${outfile}.tmp \${outfile} + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + bash: \$(echo \$(bash --version | grep -Eo 'version [[:alnum:].]+' | sed 's/version //')) + END_VERSIONS + """ +} diff --git a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R index b0698f97..91a2339d 100644 --- a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R +++ b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R @@ -202,20 +202,6 @@ de.genes <- read_delim_flexible( file = opt\$de_file ) -if (nrow(de.genes) == 0) { - opt <- options(show.error.messages = FALSE) # Do not throw error so that rest of pipeline continues - print("No differential features found, pathway enrichment analysis with gprofiler2 will be skipped.") - stop() -} -query <- de.genes[[opt\$de_id_column]] - -################################################ -################################################ -# Run gprofiler processes and generate outputs # -################################################ -################################################ - -set.seed(1) # This will ensure that reruns have the same plot colors # Create prefix from contrast var, reference and target as well as blocking (if provided) contrast_name <- paste(opt\$contrast_variable, opt\$reference_level, opt\$target_level, sep = '_') @@ -225,208 +211,222 @@ if (!is.null(opt\$blocking_variables)) { output_prefix <- paste(output_prefix, blocking_variables, sep= '_') } -# Create empty output table in case no enriched pathways are found -file.create(paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.')) - -sources <- opt\$sources -if (!is.null(sources)) { - sources <- strsplit(opt\$sources, split = ",")[[1]] -} +if (nrow(de.genes) > 0) { -if (!is.null(opt\$gost_token)) { + query <- de.genes[[opt\$de_id_column]] - # First check if a gost_token was provided - gost_token <- opt\$gost_token -} else if (opt\$gmt_file != "") { + ################################################ + ################################################ + # Run gprofiler processes and generate outputs # + ################################################ + ################################################ - # Next check if custom GMT file was provided - gmt_path <- opt\$gmt_file + set.seed(1) # This will ensure that reruns have the same plot colors - # If sources are set, extract only requested entries (gprofiler will NOT filter automatically!) + sources <- opt\$sources if (!is.null(sources)) { - gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(opt\$gmt)) - gmt_path <- paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_filtered.gmt") - writeLines(gmt, gmt_path) + sources <- strsplit(opt\$sources, split = ",")[[1]] } - gost_token <- upload_GMT_file(gmt_path) + if (!is.null(opt\$gost_token)) { - # Add gost ID to output GMT name so that it can be reused in future runs - file.rename(gmt_path, paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_gostID_", gost_token, "_filtered.gmt")) -} else { + # First check if a gost_token was provided + gost_token <- opt\$gost_token + } else if (opt\$gmt_file != "") { - # Otherwise, get the GMT file from gprofiler and save both the full file as well as the filtered one to metadata - gmt_url <- paste0("https://biit.cs.ut.ee/gprofiler//static/gprofiler_full_", opt\$organism, ".ENSG.gmt") - tryCatch( - { - gmt_path <- paste0("gprofiler_full_", opt\$organism, ".ENSG.gmt") - if (!is.null(sources)) { - gmt_path <- paste0("gprofiler_full_", opt\$organism, ".", paste(sources, collapse="_"), ".ENSG_filtered.gmt") - } - download <- download.file(gmt_url, gmt_path) - if (download != 0) { - print("Failed to fetch the GMT file from gprofiler with this URL:") - print(gmt_url) - print("For reproducibility reasons, try to download the GMT file manually by visiting https://biit.cs.ut.ee/gprofiler/gost, then selecting the correct organism and, in datasources, clicking 'combined ENSG.gmt'.") - } else { + # Next check if custom GMT file was provided + gmt_path <- opt\$gmt_file + + # If sources are set, extract only requested entries (gprofiler will NOT filter automatically!) + if (!is.null(sources)) { + gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(opt\$gmt)) + gmt_path <- paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_filtered.gmt") + writeLines(gmt, gmt_path) + } + + gost_token <- upload_GMT_file(gmt_path) + + # Add gost ID to output GMT name so that it can be reused in future runs + file.rename(gmt_path, paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_gostID_", gost_token, "_filtered.gmt")) + } else { + + # Otherwise, get the GMT file from gprofiler and save both the full file as well as the filtered one to metadata + gmt_url <- paste0("https://biit.cs.ut.ee/gprofiler//static/gprofiler_full_", opt\$organism, ".ENSG.gmt") + tryCatch( + { + gmt_path <- paste0("gprofiler_full_", opt\$organism, ".ENSG.gmt") if (!is.null(sources)) { - gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(gmt_path)) - print(paste0("GMT file successfully downloaded and filtered. Please note that for some sources, the GMT file may not contain any entries as these cannot be retrieved from gprofiler; in this case, the GMT file may be completely empty.")) - writeLines(gmt, gmt_path) + gmt_path <- paste0("gprofiler_full_", opt\$organism, ".", paste(sources, collapse="_"), ".ENSG_filtered.gmt") + } + download <- download.file(gmt_url, gmt_path) + if (download != 0) { + print("Failed to fetch the GMT file from gprofiler with this URL:") + print(gmt_url) + print("For reproducibility reasons, try to download the GMT file manually by visiting https://biit.cs.ut.ee/gprofiler/gost, then selecting the correct organism and, in datasources, clicking 'combined ENSG.gmt'.") + } else { + if (!is.null(sources)) { + gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(gmt_path)) + print(paste0("GMT file successfully downloaded and filtered. Please note that for some sources, the GMT file may not contain any entries as these cannot be retrieved from gprofiler; in this case, the GMT file may be completely empty.")) + writeLines(gmt, gmt_path) + } } + }, + error=function(gost_error) { + print("Failed to fetch the GMT file from gprofiler with this URL:") + print(gmt_url) + print("Got error:") + print(gost_error) + print("For reproducibility reasons, please try to download the GMT file manually by visiting https://biit.cs.ut.ee/gprofiler/gost, then selecting the correct organism and, in datasources, clicking 'combined ENSG.gmt'. Then provide it to the pipeline with the parameter `--gmt_file`") } - }, - error=function(gost_error) { - print("Failed to fetch the GMT file from gprofiler with this URL:") - print(gmt_url) - print("Got error:") - print(gost_error) - print("For reproducibility reasons, please try to download the GMT file manually by visiting https://biit.cs.ut.ee/gprofiler/gost, then selecting the correct organism and, in datasources, clicking 'combined ENSG.gmt'. Then provide it to the pipeline with the parameter `--gmt_file`") - } - ) - gost_token <- opt\$organism -} + ) + gost_token <- opt\$organism + } -# If custom background_file was provided, read it -if (opt\$background_file != "") { - intensities_table <- read_delim_flexible( - file = opt\$background_file - ) - # If only 1 col, it is a list, not a matrix - if (ncol(intensities_table) == 1) { - background <- intensities_table[,1] # Extract first column from df - background <- append(background, colnames(intensities_table)[1]) # First entry was put into header, add it to vector - } else { - # Otherwise it's a matrix - # Set rownames to background_column if param was set - if (!is.null(opt\$background_column)) { - if (opt\$background_column %in% colnames(intensities_table)) { - rownames(intensities_table) <- intensities_table[[opt\$background_column]] - intensities_table[[opt\$background_column]] <- NULL + # If custom background_file was provided, read it + if (opt\$background_file != "") { + intensities_table <- read_delim_flexible( + file = opt\$background_file + ) + # If only 1 col, it is a list, not a matrix + if (ncol(intensities_table) == 1) { + background <- intensities_table[,1] # Extract first column from df + background <- append(background, colnames(intensities_table)[1]) # First entry was put into header, add it to vector + } else { + # Otherwise it's a matrix + # Set rownames to background_column if param was set + if (!is.null(opt\$background_column)) { + if (opt\$background_column %in% colnames(intensities_table)) { + rownames(intensities_table) <- intensities_table[[opt\$background_column]] + intensities_table[[opt\$background_column]] <- NULL + } else { + stop(paste0("Invalid background_column argument: ", opt\$background_column, + ". Valid columns are: ", paste(colnames(intensities_table), collapse=", "), ".")) + } } else { - stop(paste0("Invalid background_column argument: ", opt\$background_column, - ". Valid columns are: ", paste(colnames(intensities_table), collapse=", "), ".")) + + # Otherwise set rownames to first column + rownames(intensities_table) <- intensities_table[,1] + intensities_table <- intensities_table[,-1] } - } else { - # Otherwise set rownames to first column - rownames(intensities_table) <- intensities_table[,1] - intensities_table <- intensities_table[,-1] + # Rownames are set, now remove non-numeric columns + nums <- unlist(lapply(intensities_table, is.numeric), use.names = FALSE) + intensities_table <- intensities_table[, nums] + # Keep only rownames which have abundance + background <- rownames(subset(intensities_table, rowSums(intensities_table, na.rm = TRUE)>0)) } - - # Rownames are set, now remove non-numeric columns - nums <- unlist(lapply(intensities_table, is.numeric), use.names = FALSE) - intensities_table <- intensities_table[, nums] - # Keep only rownames which have abundance - background <- rownames(subset(intensities_table, rowSums(intensities_table, na.rm = TRUE)>0)) + } else { + background <- NULL } -} else { - background <- NULL -} - -# Name the query as it will otherwise be called 'query_1' which will also determine the gostplot title -q <- list(query) -names(q) <- c(paste0(contrast_name, ifelse(!is.null(opt\$blocking_variables), paste0("_", blocking_variables), ""))) - -gost_results <- gost( - query=q, - organism=gost_token, - significant=opt\$significant, - measure_underrepresentation=opt\$measure_underrepresentation, - correction_method=opt\$correction_method, - sources=sources, - evcodes=opt\$evcodes, - user_threshold=opt\$pval_threshold, - custom_bg=background, - domain_scope=opt\$domain_scope -) -if (!is.null(gost_results)) { - # Create interactive plot and save to HTML - interactive_plot <- gostplot(gost_results, capped=T, interactive=T) + # Name the query as it will otherwise be called 'query_1' which will also determine the gostplot title + q <- list(query) + names(q) <- c(paste0(contrast_name, ifelse(!is.null(opt\$blocking_variables), paste0("_", blocking_variables), ""))) + + gost_results <- gost( + query=q, + organism=gost_token, + significant=opt\$significant, + measure_underrepresentation=opt\$measure_underrepresentation, + correction_method=opt\$correction_method, + sources=sources, + evcodes=opt\$evcodes, + user_threshold=opt\$pval_threshold, + custom_bg=background, + domain_scope=opt\$domain_scope + ) - # Save interactive plot as HTML - htmlwidgets::saveWidget( - widget = interactive_plot, - file = paste(output_prefix, 'gostplot', 'html', sep = '.') - ) + if (!is.null(gost_results)) { + # Create interactive plot and save to HTML + interactive_plot <- gostplot(gost_results, capped=T, interactive=T) - # Create a static plot and save to PNG - static_plot <- gostplot(gost_results, capped=T, interactive=F) - ggsave(plot = static_plot, filename = paste(output_prefix, 'gostplot', 'png', sep = '.'), width = 10, height = 7) + # Save interactive plot as HTML + htmlwidgets::saveWidget( + widget = interactive_plot, + file = paste(output_prefix, 'gostplot', 'html', sep = '.') + ) - # Subset gost results to those pathways with a min. number of differential features - gost_results\$result <- gost_results\$result[which(gost_results\$result\$intersection_size>=opt\$min_diff),] + # Create a static plot and save to PNG + static_plot <- gostplot(gost_results, capped=T, interactive=F) + ggsave(plot = static_plot, filename = paste(output_prefix, 'gostplot', 'png', sep = '.'), width = 10, height = 7) - # annotate query size (number of differential features in contrast) - gost_results\$result\$original_query_size <- rep(length(as.character(de.genes\$Ensembl_ID)), nrow(gost_results\$result)) + # Subset gost results to those pathways with a min. number of differential features + gost_results\$result <- gost_results\$result[which(gost_results\$result\$intersection_size>=opt\$min_diff),] - # R object for other processes to use + # annotate query size (number of differential features in contrast) + gost_results\$result\$original_query_size <- rep(length(as.character(de.genes\$Ensembl_ID)), nrow(gost_results\$result)) - saveRDS(gost_results, file = paste(opt\$contrast_variable, 'gprofiler2.gost_results.rds', sep = '.')) + # R object for other processes to use - # Write full enrichment table (except parents column as that one throws an error) + saveRDS(gost_results, file = paste(opt\$contrast_variable, 'gprofiler2.gost_results.rds', sep = '.')) - gost_results\$results <- data.frame( - round_dataframe_columns(gost_results\$result[,-which(names(gost_results\$result) == "parents")], digits=opt\$round_digits), - check.names = FALSE - ) + # Write full enrichment table (except parents column as that one throws an error) - write.table( - gost_results\$results, - file = paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.'), - col.names = TRUE, - row.names = FALSE, - sep = '\t', - quote = FALSE - ) + gost_results\$results <- data.frame( + round_dataframe_columns(gost_results\$result[,-which(names(gost_results\$result) == "parents")], digits=opt\$round_digits), + check.names = FALSE + ) - # Iterate over the enrichment results by source and save separate tables - for (df in split(gost_results\$result, gost_results\$result\$source)){ - db_source <- df\$source[1] - df_subset <- data.frame( - Pathway_name = df\$term_name, - Pathway_code = df\$term_id, - DE_genes = df\$intersection_size, - Pathway_size = df\$term_size, - Fraction_DE = df\$recall, - Padj = df\$p_value, - DE_genes_names = df\$intersection - ) - df_subset <- data.frame( - round_dataframe_columns(df_subset, digits=opt\$round_digits), - check.names = FALSE - ) write.table( - df_subset, - file = paste(output_prefix, db_source, 'sub_enriched_pathways', 'tsv', sep = '.'), + gost_results\$results, + file = paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.'), col.names = TRUE, row.names = FALSE, sep = '\t', quote = FALSE ) - # For plot, shorten pathway names as they can get quite long (full name can be looked up in the table) - df_subset\$Pathway_name <- sapply(df_subset\$Pathway_name, substr, start=1, stop=50) - - # Extract 3 colors from the chosen palette (2 are sufficient, but brewer.pal has a minimum of 3); first and last will be used for plot - colors <- RColorBrewer::brewer.pal(3, opt\$palette_name) - - # Enriched pathways horizontal barplots of padj values - p <- ggplot(df_subset, aes(x=reorder(Pathway_name, Fraction_DE), y=Fraction_DE)) + - geom_bar(aes(fill=Padj), stat="identity", width = 0.7) + - geom_text(aes(label=paste0(df_subset\$DE_genes, "/", df_subset\$Pathway_size)), vjust=0.4, hjust=-0.2, size=3) + - theme(plot.title.position = "plot") + - coord_flip() + - scale_y_continuous(limits = c(0.00, 1.24), breaks = seq(0, 1.24, by = 0.25)) + - ggtitle(paste("Enriched", db_source, "pathways")) + - xlab("") + ylab("Enriched fraction (DE features / Pathway size)") + - scale_fill_continuous(high = colors[1], low = colors[3]) - - # Save plot with set width to ensure there is enough space for the labels; adapt height to nrow but limit it to 100 as there will be an error for too high values - ggsave(p, filename = paste(output_prefix, db_source, 'sub_enriched_pathways', 'png', sep = '.'), device = "png", width=10, height=min(100, 1.5+nrow(df_subset)*0.15), limitsize=F) + # Iterate over the enrichment results by source and save separate tables + for (df in split(gost_results\$result, gost_results\$result\$source)){ + db_source <- df\$source[1] + df_subset <- data.frame( + Pathway_name = df\$term_name, + Pathway_code = df\$term_id, + DE_genes = df\$intersection_size, + Pathway_size = df\$term_size, + Fraction_DE = df\$recall, + Padj = df\$p_value, + DE_genes_names = df\$intersection + ) + df_subset <- data.frame( + round_dataframe_columns(df_subset, digits=opt\$round_digits), + check.names = FALSE + ) + write.table( + df_subset, + file = paste(output_prefix, db_source, 'sub_enriched_pathways', 'tsv', sep = '.'), + col.names = TRUE, + row.names = FALSE, + sep = '\t', + quote = FALSE + ) + + # For plot, shorten pathway names as they can get quite long (full name can be looked up in the table) + df_subset\$Pathway_name <- sapply(df_subset\$Pathway_name, substr, start=1, stop=50) + + # Extract 3 colors from the chosen palette (2 are sufficient, but brewer.pal has a minimum of 3); first and last will be used for plot + colors <- RColorBrewer::brewer.pal(3, opt\$palette_name) + + # Enriched pathways horizontal barplots of padj values + p <- ggplot(df_subset, aes(x=reorder(Pathway_name, Fraction_DE), y=Fraction_DE)) + + geom_bar(aes(fill=Padj), stat="identity", width = 0.7) + + geom_text(aes(label=paste0(df_subset\$DE_genes, "/", df_subset\$Pathway_size)), vjust=0.4, hjust=-0.2, size=3) + + theme(plot.title.position = "plot") + + coord_flip() + + scale_y_continuous(limits = c(0.00, 1.24), breaks = seq(0, 1.24, by = 0.25)) + + ggtitle(paste("Enriched", db_source, "pathways")) + + xlab("") + ylab("Enriched fraction (DE features / Pathway size)") + + scale_fill_continuous(high = colors[1], low = colors[3]) + + # Save plot with set width to ensure there is enough space for the labels; adapt height to nrow but limit it to 100 as there will be an error for too high values + ggsave(p, filename = paste(output_prefix, db_source, 'sub_enriched_pathways', 'png', sep = '.'), device = "png", width=10, height=min(100, 1.5+nrow(df_subset)*0.15), limitsize=F) + } } +} else { + # Create empty output table as it is a mandatory output + file.create(paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.')) + print("No differential features found, pathway enrichment analysis with gprofiler2 will be skipped.") } ################################################ diff --git a/nextflow.config b/nextflow.config index 418c9a3d..9229d27c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -30,6 +30,7 @@ params { report_author = null report_description = null report_scree = true + report_round_digits = 4 // Sample sheet options observations_type = 'sample' @@ -181,9 +182,8 @@ params { shinyngs_shinyapps_account = null shinyngs_shinyapps_app_name = null - // Multi-module options - mods_gene_sets = null - mods_round_digits = 4 + // Gene set options + gene_set_files = null // References genome = null diff --git a/nextflow_schema.json b/nextflow_schema.json index ef446546..903e9fa7 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -980,23 +980,17 @@ }, "fa_icon": "fab fa-app-store-ios" }, - "module_input_options": { - "title": "Additional options for multiple modules", + "gene_set_options": { + "title": "Options related to gene set analysis", "type": "object", "fa_icon": "fas fa-cogs", - "description": "Files and options used by multiple modules.", + "description": "Files and options used by gene set analysis modules.", "properties": { - "mods_gene_sets": { + "gene_set_files": { "type": "string", "default": "None", "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files are possible. For gprofiler2: One GMT file is possible.", "fa_icon": "fas fa-bars" - }, - "mods_round_digits": { - "type": "integer", - "default": 4, - "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", - "help_text": "This affects output from the following modules (both their tabular output and their result sections in the report): proteus, gprofiler2." } } }, @@ -1060,6 +1054,12 @@ "type": "boolean", "default": true, "description": "Whether to generate a scree plot in the report" + }, + "report_round_digits": { + "type": "integer", + "default": 4, + "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", + "help_text": "This affects output from the following modules (both their tabular output and their result sections in the report): proteus, gprofiler2." } }, "required": ["report_file", "logo_file", "css_file"] @@ -1305,7 +1305,7 @@ "$ref": "#/definitions/shiny_app_settings" }, { - "$ref": "#/definitions/module_input_options" + "$ref": "#/definitions/gene_set_options" }, { "$ref": "#/definitions/reporting_options" diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index c9458c12..2346248f 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -67,9 +67,9 @@ if (params.study_type == 'affy_array'){ if (params.transcript_length_matrix) { ch_transcript_lengths = Channel.of([ exp_meta, file(params.transcript_length_matrix, checkIfExists: true)]).first() } else { ch_transcript_lengths = [[],[]] } if (params.control_features) { ch_control_features = Channel.of([ exp_meta, file(params.control_features, checkIfExists: true)]).first() } else { ch_control_features = [[],[]] } if (params.gsea_run) { - if (params.mods_gene_sets){ - gene_sets_files = params.mods_gene_sets.split(",") - ch_gene_sets = Channel.of(gene_sets_files).map { file(it, checkIfExists: true) } + if (params.gene_set_files){ + gene_set_files = params.gene_set_files.split(",") + ch_gene_sets = Channel.of(gene_set_files).map { file(it, checkIfExists: true) } } else { error("GSEA activated but gene set file not specified!") } @@ -102,6 +102,7 @@ citations_file = file(params.citations_file, checkIfExists: true) */ include { TABULAR_TO_GSEA_CHIP } from '../modules/local/tabular_to_gsea_chip' +include { FILTER_DIFFTABLE } from '../modules/local/filter_difftable' /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -405,6 +406,16 @@ workflow DIFFERENTIALABUNDANCE { .map{ it.tail() } } + // We'll use a local module to filter the differential tables and create output files that contain only differential features + ch_logfc = Channel.value([ (params.study_type == 'rnaseq' ? 'log2FoldChange' : 'logFC'), params.differential_min_fold_change ]) + ch_padj = Channel.value([ (params.study_type == 'rnaseq' ? 'padj' : 'adj.P.Val'), params.differential_max_qval ]) + + FILTER_DIFFTABLE( + ch_differential, + ch_logfc, + ch_padj + ) + // Run a gene set analysis where directed // Currently, we're letting GSEA work on the expression data. In future we @@ -464,6 +475,9 @@ workflow DIFFERENTIALABUNDANCE { } if (params.gprofiler2_run) { + + // For gprofiler2, use only features that are considered differential + ch_filtered_diff = FILTER_DIFFTABLE.out.filtered ch_organism = Channel.value(params.gprofiler2_organism) if (!params.gprofiler2_background_file) { // If param not set, use empty list as "background" @@ -478,15 +492,15 @@ workflow DIFFERENTIALABUNDANCE { } else { ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) } - if (!params.mods_gene_sets) { + if (!params.gene_set_files) { ch_gene_sets = [] } else { - ch_gene_sets = Channel.value(params.mods_gene_sets) + ch_gene_sets = Channel.value(params.gene_set_files) } GPROFILER2_GOST( ch_contrasts, - ch_differential, + ch_filtered_diff, ch_organism, ch_gene_sets, ch_background @@ -612,7 +626,7 @@ workflow DIFFERENTIALABUNDANCE { // Condition params reported on study type - def params_pattern = "report|mods|study|observations|features|filtering|exploratory|differential" + def params_pattern = "report|gene_sets|study|observations|features|filtering|exploratory|differential" if (params.study_type == 'rnaseq'){ params_pattern += "|deseq2" } From a1fcc1c40d7dd1cf457f6a28b22cb4378f0c2252 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 8 Dec 2023 13:04:08 +0100 Subject: [PATCH 033/168] Param renames, adapted workflow to do the correct checks; fixed a bug in the gprofiler2 module. It is now the same as that in my nf-core/modules PR but I still need to 'officially' install the updated module once the modules PR is merged --- assets/differentialabundance_report.Rmd | 12 +++++---- conf/modules.config | 3 ++- conf/test.config | 2 -- conf/test_affy.config | 2 +- conf/test_full.config | 9 ++----- docs/usage.md | 2 +- modules/nf-core/gprofiler2/gost/main.nf | 1 - .../gost/templates/gprofiler2_gost.R | 26 ++++++++++++------- nextflow.config | 4 +-- nextflow_schema.json | 14 +++++----- workflows/differentialabundance.nf | 24 ++++++++--------- 11 files changed, 50 insertions(+), 49 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 8694b8a8..d62394d9 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -25,7 +25,7 @@ params: report_author: NULL, report_description: NULL, report_scree: NULL - gene_set_files: NULL + gene_sets_files: NULL report_round_digits: NULL observations_type: NULL observations: NULL # GSE156533.samplesheet.csv @@ -145,7 +145,7 @@ params: gprofiler2_sources: NULL gprofiler2_evcodes: NULL gprofiler2_max_qval: NULL - gprofiler2_gost_token: NULL + gprofiler2_token: NULL gprofiler2_background_file: NULL gprofiler2_background_column: NULL gprofiler2_domain_scope: NULL @@ -894,7 +894,7 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ if (unlist(params[paste0(gene_set_method, '_run')])){ cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") if (gene_set_method == 'gsea') { - for (gmt_file in simpleSplit(params$gene_set_files)) { + for (gmt_file in simpleSplit(params$gene_sets_files)) { gmt_name <- basename(tools::file_path_sans_ext(gmt_file)) cat("\n##### ", gmt_name ," {.tabset}\n") @@ -911,8 +911,10 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ } else if (gene_set_method == 'gprofiler2') { enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) - tsv_files <- grep(".tsv", enrichment_files, fixed=T) - if (length(tsv_files)) { + tsv_files <- grep("all_enriched_pathways.tsv", enrichment_files, value=T, fixed=T) + + # Make sure to grab only non-empty files + if (length(tsv_files) && any(file.size(tsv_files) != 0L)) { cat(paste0("\nThis section contains the results tables of the pathway analysis which was done with the R package gprofiler2. The differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <= ", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) diff --git a/conf/modules.config b/conf/modules.config index f0bc1655..4de99634 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -362,7 +362,8 @@ process { "--palette_name \"${params.gprofiler2_palette_name}\"", ((meta.blocking == null) ? '' : "--blocking_variables $meta.blocking"), ((params.differential_feature_id_column == null) ? '' : "--de_id_column \"${params.differential_feature_id_column}\""), - ((params.gprofiler2_gost_token == null) ? '' : "--gost_token \"${params.gprofiler2_gost_token}\""), + ((params.gprofiler2_token == null) ? '' : "--token \"${params.gprofiler2_token}\""), + ((params.gprofiler2_organism == null) ? '' : "--organism \"${params.gprofiler2_organism}\""), ((params.gprofiler2_background_column == null) ? '' : "--background_column \"${params.gprofiler2_background_column}\""), ((params.gprofiler2_sources == null) ? '' : "--sources \"${params.gprofiler2_sources}\"") ].join(' ').trim() } diff --git a/conf/test.config b/conf/test.config index 59bbeee1..a32b096e 100644 --- a/conf/test.config +++ b/conf/test.config @@ -47,6 +47,4 @@ params { // Activate gprofiler2 gprofiler2_run = true - gprofiler2_organism = 'mmusculus' - gene_set_files = '/home-link/iivow01/git/differentialabundance/testdata/combo_gprofiler_hallmark_mmusculus.gmt' } diff --git a/conf/test_affy.config b/conf/test_affy.config index de9f5332..372e0577 100644 --- a/conf/test_affy.config +++ b/conf/test_affy.config @@ -42,5 +42,5 @@ params { // Activate GSEA gsea_run = true - gene_set_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/differentialabundance/testdata/h.all.v2022.1.Hs.symbols.gmt' + gene_sets_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/differentialabundance/testdata/h.all.v2022.1.Hs.symbols.gmt' } diff --git a/conf/test_full.config b/conf/test_full.config index bbf68d62..cbd8e212 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -33,11 +33,6 @@ params { report_description = "This is a full-sized test dataset contributed by Oskar Wacker" // Activate GSEA - gsea_run = false -// gene_set_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' - - // Activate gprofiler2 - gprofiler2_run = true - gprofiler2_organism = 'mmusculus' - gprofiler2_sources = 'KEGG,REAC' + gsea_run = true + gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' } diff --git a/docs/usage.md b/docs/usage.md index 47fc8e56..79e0dc31 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -290,7 +290,7 @@ The organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) is req ```bash --gsea_run true \ ---gene_set_files gene_sets.gmt +--gene_sets_files gene_sets.gmt ``` ## Running the pipeline diff --git a/modules/nf-core/gprofiler2/gost/main.nf b/modules/nf-core/gprofiler2/gost/main.nf index be49fbc6..20ed3d8d 100644 --- a/modules/nf-core/gprofiler2/gost/main.nf +++ b/modules/nf-core/gprofiler2/gost/main.nf @@ -10,7 +10,6 @@ process GPROFILER2_GOST { input: tuple val(meta), val(contrast_variable), val(reference), val(target) tuple val(meta1), path(de_file) - val(organism) path(gmt_file) path(background_file) diff --git a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R index 91a2339d..f9b6c5fb 100644 --- a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R +++ b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R @@ -124,7 +124,7 @@ round_dataframe_columns <- function(df, columns = NULL, digits = -1) { opt <- list( de_file = '$de_file', de_id_column = 'gene_id', - organism = '$organism', + organism = NULL, sources = NULL, contrast_variable = '$contrast_variable', reference_level = '$reference', @@ -136,7 +136,7 @@ opt <- list( evcodes = F, pval_threshold = 0.05, gmt_file = '$gmt_file', - gost_token = NULL, + token = NULL, background_file = '$background_file', background_column = NULL, domain_scope = 'annotated', @@ -164,12 +164,15 @@ for ( ao in names(args_opt)) { } # Check if required parameters have been provided -required_opts <- c('organism', 'contrast_variable', 'reference_level', 'target_level') +required_opts <- c('contrast_variable', 'reference_level', 'target_level') missing <- required_opts[unlist(lapply(opt[required_opts], is.null)) | ! required_opts %in% names(opt)] if (length(missing) > 0) { stop(paste("Missing required options:", paste(missing, collapse=', '))) } +if (is.null(opt\$organism) && opt\$gmt_file == "" && is.null(opt\$token)) { + stop('Please provide organism, gmt_file or token.') +} # Check file inputs are valid @@ -227,11 +230,14 @@ if (nrow(de.genes) > 0) { if (!is.null(sources)) { sources <- strsplit(opt\$sources, split = ",")[[1]] } + if (!is.null(sources)) { + sources <- strsplit(opt\$sources, split = ",")[[1]] + } - if (!is.null(opt\$gost_token)) { + if (!is.null(opt\$token)) { - # First check if a gost_token was provided - gost_token <- opt\$gost_token + # First check if a token was provided + token <- opt\$token } else if (opt\$gmt_file != "") { # Next check if custom GMT file was provided @@ -244,10 +250,10 @@ if (nrow(de.genes) > 0) { writeLines(gmt, gmt_path) } - gost_token <- upload_GMT_file(gmt_path) + token <- upload_GMT_file(gmt_path) # Add gost ID to output GMT name so that it can be reused in future runs - file.rename(gmt_path, paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_gostID_", gost_token, "_filtered.gmt")) + file.rename(gmt_path, paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_gostID_", token, "_filtered.gmt")) } else { # Otherwise, get the GMT file from gprofiler and save both the full file as well as the filtered one to metadata @@ -279,7 +285,7 @@ if (nrow(de.genes) > 0) { print("For reproducibility reasons, please try to download the GMT file manually by visiting https://biit.cs.ut.ee/gprofiler/gost, then selecting the correct organism and, in datasources, clicking 'combined ENSG.gmt'. Then provide it to the pipeline with the parameter `--gmt_file`") } ) - gost_token <- opt\$organism + token <- opt\$organism } @@ -326,7 +332,7 @@ if (nrow(de.genes) > 0) { gost_results <- gost( query=q, - organism=gost_token, + organism=token, significant=opt\$significant, measure_underrepresentation=opt\$measure_underrepresentation, correction_method=opt\$correction_method, diff --git a/nextflow.config b/nextflow.config index 9229d27c..528c01ca 100644 --- a/nextflow.config +++ b/nextflow.config @@ -164,7 +164,7 @@ params { gprofiler2_sources = null gprofiler2_evcodes = false gprofiler2_max_qval = 0.05 - gprofiler2_gost_token = null + gprofiler2_token = null gprofiler2_background_file = null gprofiler2_background_column = null gprofiler2_domain_scope = 'annotated' @@ -183,7 +183,7 @@ params { shinyngs_shinyapps_app_name = null // Gene set options - gene_set_files = null + gene_sets_files = null // References genome = null diff --git a/nextflow_schema.json b/nextflow_schema.json index 903e9fa7..9a359780 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -868,7 +868,7 @@ "gprofiler2_organism": { "type": "string", "description": "Short name of the organism that is analyzed, e.g. hsapiens for homo sapiens.", - "help_text": "Set this to the short organism name consisting of the first letter of the genus and the full species name, e.g. hsapiens for Homo sapiens, mmusculus for Mus musculus." + "help_text": "Set this to the short organism name consisting of the first letter of the genus and the full species name, e.g. hsapiens for Homo sapiens, mmusculus for Mus musculus. This has lowest priority and will be overridden by --gprofiler2_token and --gene_sets_files." }, "gprofiler2_significant": { "type": "boolean", @@ -890,8 +890,8 @@ }, "gprofiler2_sources": { "type": "string", - "description": "On which source databases to run the gprofiler query.", - "help_text": "GO, GO:MF, GO:BP, GO:CC, KEGG, REAC, WP, TF, MIRNA, HPA, CORUM, HP, or any comma-reparated combination thereof, e.g. 'KEGG,REAC'." + "description": "On which source databases to run the gprofiler query", + "help_text": "GO, GO:MF, GO:BP, GO:CC, KEGG, REAC, WP, TF, MIRNA, HPA, CORUM, HP, or any comma-reparated combination thereof, e.g. 'KEGG,REAC'. This works if --gprofiler2_organism is used; if a GMT file is provided with --gene_sets_files, should also work; the module will then remove any lines not starting with any of the source names. Does not work for --gprofiler2_token as g:Profiler will not filter such a run." }, "gprofiler2_evcodes": { "type": "boolean", @@ -904,10 +904,10 @@ "default": 0.05, "description": "Maximum q value used for significance testing." }, - "gprofiler2_gost_token": { + "gprofiler2_token": { "type": "string", "description": "Token that should be used as a query.", - "help_text": "For reproducibility, instead of querying the online databases, you can provide a token, e.g. from a previous pipeline run or from a manual query on https://biit.cs.ut.ee/gprofiler/gost." + "help_text": "For reproducibility, instead of querying the online databases, you can provide a token, e.g. from a previous pipeline run or from a manual query on https://biit.cs.ut.ee/gprofiler/gost. This has highest priority and will override --gprofiler2_organism and --gene_sets_files." }, "gprofiler2_background_file": { "type": "string", @@ -986,10 +986,10 @@ "fa_icon": "fas fa-cogs", "description": "Files and options used by gene set analysis modules.", "properties": { - "gene_set_files": { + "gene_sets_files": { "type": "string", "default": "None", - "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files are possible. For gprofiler2: One GMT file is possible.", + "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files in either format are possible. For gprofiler2: A single file in GMT format is possible; this has second highest priority and will override --gprofiler2_organism.", "fa_icon": "fas fa-bars" } } diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 2346248f..d7d0f75d 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -34,6 +34,9 @@ if (params.study_type == 'affy_array'){ if (params.gsea_run) { error("Cannot run GSEA for maxquant data; please set --gsea_run to false.") } + if (params.gprofiler2_run){ + error("gprofiler2 pathway analysis is not yet possible with maxquant input data; please set --gprofiler2_run false and rerun pipeline!") + } if (!params.matrix) { error("Input matrix not specified!") } @@ -67,19 +70,17 @@ if (params.study_type == 'affy_array'){ if (params.transcript_length_matrix) { ch_transcript_lengths = Channel.of([ exp_meta, file(params.transcript_length_matrix, checkIfExists: true)]).first() } else { ch_transcript_lengths = [[],[]] } if (params.control_features) { ch_control_features = Channel.of([ exp_meta, file(params.control_features, checkIfExists: true)]).first() } else { ch_control_features = [[],[]] } if (params.gsea_run) { - if (params.gene_set_files){ - gene_set_files = params.gene_set_files.split(",") - ch_gene_sets = Channel.of(gene_set_files).map { file(it, checkIfExists: true) } + if (params.gene_sets_files){ + gene_sets_files = params.gene_sets_files.split(",") + ch_gene_sets = Channel.of(gene_sets_files).map { file(it, checkIfExists: true) } } else { error("GSEA activated but gene set file not specified!") } } if (params.gprofiler2_run) { - if (params.study_type == 'maxquant'){ - error("gprofiler2 pathway analysis is not yet possible with maxquant input data; please set --gprofiler2_run false and rerun pipeline!") - } - if (!params.gprofiler2_organism){ - error("gprofiler2 pathway analysis activated but organism not specified!") + if (!params.gprofiler2_token && !params.gene_sets_files && !params.gprofiler2_organism){ + } else { + error("To run gprofiler2, please provide a run token, GMT file or organism!") } } @@ -478,7 +479,7 @@ workflow DIFFERENTIALABUNDANCE { // For gprofiler2, use only features that are considered differential ch_filtered_diff = FILTER_DIFFTABLE.out.filtered - ch_organism = Channel.value(params.gprofiler2_organism) + if (!params.gprofiler2_background_file) { // If param not set, use empty list as "background" ch_background = [] @@ -492,16 +493,15 @@ workflow DIFFERENTIALABUNDANCE { } else { ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) } - if (!params.gene_set_files) { + if (!params.gene_sets_files) { ch_gene_sets = [] } else { - ch_gene_sets = Channel.value(params.gene_set_files) + ch_gene_sets = Channel.value(params.gene_sets_files) } GPROFILER2_GOST( ch_contrasts, ch_filtered_diff, - ch_organism, ch_gene_sets, ch_background ) From a9a355847e51395fbde8feeb17372b4bb391de95 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 8 Dec 2023 13:18:53 +0100 Subject: [PATCH 034/168] Added gprofiler organism, updated metro maps --- conf/test.config | 1 + docs/images/workflow.png | Bin 152051 -> 157251 bytes docs/images/workflow.svg | 280 ++++++++++++++++++++++++--------------- 3 files changed, 173 insertions(+), 108 deletions(-) diff --git a/conf/test.config b/conf/test.config index a32b096e..676dfe64 100644 --- a/conf/test.config +++ b/conf/test.config @@ -47,4 +47,5 @@ params { // Activate gprofiler2 gprofiler2_run = true + gprofiler2_organism = 'mmusculus' } diff --git a/docs/images/workflow.png b/docs/images/workflow.png index daa0858fd7c4da4d47c806494987d403ae8638d4..21bb9011620003bb64c3fb29643927529c1a3237 100644 GIT binary patch literal 157251 zcmYIv1z1#F*ES)kfPjRgbclcq(xFI7DBX=icMKgmDxE3}sep7hjKDl7A~=A6G(#%Q z07}U)@Nb^?egAJ?*BLGb&N;i*TKBr|wd0=XX;4wJP!bRjP-$tZ8W0eWn1Jh;oD_Uh z9CFJX{GjmBH1{VUp#F4u5%zhPIe{;42B?_@7N|zoWg+Q&Dd} z=Nzm83jx6`0xi`CM!~t;7+AQG@%hF6qyPn1z=Qi0+|Q_xZ7qRnrrQ{X$(DGGwW$d5 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z{Fu3uITpqYw|(doEYYeYFsBp`#;h>Eu&}VSLkq|f%B?rXHaz}93i&_wGXLk4ak@*O zr{n-b!KejcWDw^H{n-_Iv^6fVKndYv0ke*SpKHJS)jTM(T~Bj??H+*$>=O9TOO%B8 zS)i%2_pvhkATMWpC*!n1g1?Dy@r02byV+a49t=L3PyfF6&6`X`AJ?!>!Q zfH8V%Sx`}#K?0F65wHu0552$H$s;e+;xEyfp>gzSK&Hoo89oCJvm&kR35iJ`&+*nY z418~x;{XdP`#*>J=~p=&@Jw)|68(RBbm~4PmCg^1>2H1EO#GsTnvQCTveond3mpb6 AX#fBK diff --git a/docs/images/workflow.svg b/docs/images/workflow.svg index 81ef5b14..ab379a62 100644 --- a/docs/images/workflow.svg +++ b/docs/images/workflow.svg @@ -2,9 +2,9 @@ + y="348.19925" /> + y="331.51535" /> + x="111.85512" + y="288.01227" /> + + id="tspan5453"> getGEO + id="tspan5455">getGEO + id="tspan5457"> justRMA + id="tspan5459">justRMA + id="tspan5461"> readProteinGroups + id="tspan5463">readProteinGroups GTF to + id="tspan5465">GTF to table + id="tspan5467">table Validate + id="tspan5469">Validate Limma + id="tspan5471">Limma GSEA + id="tspan5473">GSEA gprofiler2 + id="tspan5475">gprofiler2 DESeq2 + id="tspan5477">DESeq2 Filter matrix + id="tspan5479">Filter matrix - + y="391.19058" /> + y="391.10669" /> GEO ID + id="tspan5481">GEO ID Maxquant + id="tspan5483">Maxquant output + id="tspan5485">output Affy + id="tspan5487">Affy intensities + id="tspan5489">intensities Reference + id="tspan5491"> Reference annotation + id="tspan5495">annotation Contrast + id="tspan5499">Contrast definitions + id="tspan5501">definitions @@ -1165,11 +1164,11 @@ y="0">Feature + id="tspan5503">Feature annotations + id="tspan5505">annotations Abundance + id="tspan5507">Abundance values + id="tspan5509">values Observation + id="tspan5511">Observation annotations + id="tspan5513">annotations + + + + + + - Plot exploratory + id="tspan5515">Plot exploratory Plot differential + id="tspan5517">Plot differential + R Markdown notebook @@ -1559,24 +1594,24 @@ inkscape:export-xdpi="90" inkscape:export-filename="./polygon4618.png" id="text3362-8-6" - y="345.41769" + y="378.22653" x="112.9056" style="font-style:normal;font-variant:normal;font-weight:normal;font-stretch:normal;font-size:6.35px;line-height:1.35;font-family:'Maven Pro';-inkscape-font-specification:'Maven Pro';display:inline;fill:#000000;fill-opacity:1;stroke:none;stroke-width:0.264583" xml:space="preserve">Build Shiny app TSV - + + + + + + From 0fc06ec8dfe9e0899e191a36caf159effffea012 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 8 Dec 2023 13:27:45 +0100 Subject: [PATCH 035/168] Uploaded slimmer SVG, fixed mistake in ifelse --- docs/images/workflow.svg | 68 +++++++++++++++--------------- workflows/differentialabundance.nf | 3 +- 2 files changed, 35 insertions(+), 36 deletions(-) diff --git a/docs/images/workflow.svg b/docs/images/workflow.svg index ab379a62..6a53d260 100644 --- a/docs/images/workflow.svg +++ b/docs/images/workflow.svg @@ -27,7 +27,7 @@ inkscape:deskcolor="#d1d1d1" inkscape:document-units="mm" inkscape:zoom="0.48820553" - inkscape:cx="1122.4781" + inkscape:cx="693.35552" inkscape:cy="719.98365" inkscape:window-width="1920" inkscape:window-height="1027" @@ -262,11 +262,11 @@ y="0"> + id="tspan5905"> getGEO + id="tspan5907">getGEO + id="tspan5909"> justRMA + id="tspan5911">justRMA + id="tspan5913"> readProteinGroups + id="tspan5915">readProteinGroups GTF to + id="tspan5917">GTF to table + id="tspan5919">table Validate + id="tspan5921">Validate Limma + id="tspan5923">Limma GSEA + id="tspan5925">GSEA gprofiler2 + id="tspan5927">gprofiler2 DESeq2 + id="tspan5929">DESeq2 Filter matrix + id="tspan5931">Filter matrix GEO ID + id="tspan5933">GEO ID Maxquant + id="tspan5935">Maxquant output + id="tspan5937">output Affy + id="tspan5939">Affy intensities + id="tspan5941">intensities Reference + id="tspan5943"> Reference annotation + id="tspan5947">annotation Contrast + id="tspan5951">Contrast definitions + id="tspan5953">definitions @@ -1164,11 +1164,11 @@ y="0">Feature + id="tspan5955">Feature annotations + id="tspan5957">annotations Abundance + id="tspan5959">Abundance values + id="tspan5961">values Observation + id="tspan5963">Observation annotations + id="tspan5965">annotations Plot exploratory + id="tspan5967">Plot exploratory Plot differential + id="tspan5969">Plot differential Date: Fri, 8 Dec 2023 14:18:02 +0100 Subject: [PATCH 036/168] Updated gprofiler --- modules.json | 2 +- modules/nf-core/gprofiler2/gost/meta.yml | 8 -------- 2 files changed, 1 insertion(+), 9 deletions(-) diff --git a/modules.json b/modules.json index 863f309a..fd66ee89 100644 --- a/modules.json +++ b/modules.json @@ -47,7 +47,7 @@ }, "gprofiler2/gost": { "branch": "master", - "git_sha": "38e8c3694330e865b955d4286fccc3f22287c1a0", + "git_sha": "3d1f6ffb1bf62e35b001e68de1f59a19fe6562ad", "installed_by": ["modules"] }, "gsea/gsea": { diff --git a/modules/nf-core/gprofiler2/gost/meta.yml b/modules/nf-core/gprofiler2/gost/meta.yml index b6e90357..a2789f27 100644 --- a/modules/nf-core/gprofiler2/gost/meta.yml +++ b/modules/nf-core/gprofiler2/gost/meta.yml @@ -37,14 +37,6 @@ input: type: string description: | The contrast level of the target samples, e.g. "treated" - - organism: - type: string - description: | - The name of the analyzed organism consisting of the first letter of the genus and the entire species name, e.g. for homo sapiens: hsapiens - - sources: - type: string - description: | - Comma-separated list of data sources to search for pathways, e.g. 'GO,REAC'. Check https://rdrr.io/cran/gprofiler2/man/gost.html for a list of available sources - background_file: type: file pattern: "*.{csv,tsv,txt}" From 24e7497ddbb01174df5affcee1e2448a08308608 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 8 Dec 2023 14:37:05 +0100 Subject: [PATCH 037/168] Reordered report param --- assets/differentialabundance_report.Rmd | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index d62394d9..8419308e 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -25,7 +25,6 @@ params: report_author: NULL, report_description: NULL, report_scree: NULL - gene_sets_files: NULL report_round_digits: NULL observations_type: NULL observations: NULL # GSE156533.samplesheet.csv @@ -151,6 +150,7 @@ params: gprofiler2_domain_scope: NULL gprofiler2_min_diff: NULL gprofiler2_palette_name: NULL + gene_sets_files: NULL --- From 806580ced524554d69d02787a14de3f44b1fc104 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 8 Dec 2023 14:45:29 +0100 Subject: [PATCH 038/168] removed empty line --- workflows/differentialabundance.nf | 1 - 1 file changed, 1 deletion(-) diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index e05b5dbf..ef573eb8 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -622,7 +622,6 @@ workflow DIFFERENTIALABUNDANCE { params.exploratory_assay_names.split(',').collect { "${it}_matrix".toString() } + [ 'contrasts_file', 'versions_file', 'logo', 'css', 'citations' ] - // Condition params reported on study type def params_pattern = "report|gene_sets|study|observations|features|filtering|exploratory|differential" From c7c55ca1636d2b4105a17d0e75a55574261cb134 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 13 Dec 2023 09:09:29 +0100 Subject: [PATCH 039/168] adapted gprofiler2 report section to gsea, changed order of docu, added gprofiler and gsea in parallel to test_full, removed gprofiler from test, made gprofiler use a background by default --- assets/differentialabundance_report.Rmd | 38 +++++++------------ conf/modules.config | 1 - conf/test.config | 8 ++-- conf/test_full.config | 6 ++- docs/usage.md | 18 ++++----- modules/nf-core/gprofiler2/gost/main.nf | 23 ++++++----- .../gost/templates/gprofiler2_gost.R | 27 +++++-------- nextflow.config | 2 +- nextflow_schema.json | 6 +-- workflows/differentialabundance.nf | 16 ++++---- 10 files changed, 63 insertions(+), 82 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 8419308e..27f206b6 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -913,37 +913,27 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) tsv_files <- grep("all_enriched_pathways.tsv", enrichment_files, value=T, fixed=T) + cat(paste0("\nThis section contains the results tables of the pathway analysis which was done with the R package gprofiler2. The differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", + ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <= ", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) + # Make sure to grab only non-empty files - if (length(tsv_files) && any(file.size(tsv_files) != 0L)) { - - cat(paste0("\nThis section contains the results tables of the pathway analysis which was done with the R package gprofiler2. The differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", - ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <= ", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) - - for (i in 1:nrow(contrasts)) { - contrast_name <- paste(contrasts$variable[i], contrasts$reference[i], contrasts$target[i], sep = '_') - contrast_name <- paste('gprofiler2', contrast_name, sep = '.') - if (contrasts$blocking[i] != "") { - blocking_variables <- paste(make.names(unlist(strsplit(contrasts$blocking[i], split = ','))), collapse = '_') - contrast_name <- paste(contrast_name, blocking_variables, sep= '_') - } - table <- paste0(contrast_name, ".all_enriched_pathways.tsv") - if (! file.exists(file.path(params$input_dir, table))){ - stop(paste("gprofiler2 enrichment table", file.path(params$input_dir, table), "does not exist")) - } - - all_enriched <- read.table(file.path(params$input_dir, table), header=T, sep="\t", quote="\"") + for (i in 1:nrow(contrasts)) { + cat(paste0("\n##### ", contrasts$id[i], "\n")) + + table <- paste0(contrasts$id[i], ".gprofiler2.all_enriched_pathways.tsv") + table_path <- file.path(params$input_dir, table) + if (!file.exists(table_path) || file.size(table_path) == 0){ + cat(paste0("No ", ifelse(params$gprofiler2_significant, "significantly", ""), " enriched pathways were found for this contrast.")) + } else { + all_enriched <- read.table(table_path, header=T, sep="\t", quote="\"") all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), "Adjusted p value" = all_enriched$p_value, check.names = FALSE) all_enriched <- round_dataframe_columns(all_enriched, digits=params$report_round_digits) - - cat(paste0("\n##### ", contrasts$id[i], "\n")) - print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrast_name, " (check", table, "for more detail)"), rownames = FALSE))) - cat("\n") + print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrasts$id[i], " (check", table, "for more detail)"), rownames = FALSE))) } - } else { - cat(paste0("\nPathway analysis which was done with the R package gprofiler2. No enriched pathways were found.")) + cat("\n") } } } diff --git a/conf/modules.config b/conf/modules.config index 4de99634..60eb340a 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -360,7 +360,6 @@ process { "--min_diff \"${params.gprofiler2_min_diff}\"", "--round_digits ${params.report_round_digits}", "--palette_name \"${params.gprofiler2_palette_name}\"", - ((meta.blocking == null) ? '' : "--blocking_variables $meta.blocking"), ((params.differential_feature_id_column == null) ? '' : "--de_id_column \"${params.differential_feature_id_column}\""), ((params.gprofiler2_token == null) ? '' : "--token \"${params.gprofiler2_token}\""), ((params.gprofiler2_organism == null) ? '' : "--organism \"${params.gprofiler2_organism}\""), diff --git a/conf/test.config b/conf/test.config index 676dfe64..35aec606 100644 --- a/conf/test.config +++ b/conf/test.config @@ -45,7 +45,7 @@ params { // Test dataset is too small for the nsub default value deseq2_vst_nsub = 500 - // Activate gprofiler2 - gprofiler2_run = true - gprofiler2_organism = 'mmusculus' -} + // Activate GSEA + gsea_run = true + gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' +} \ No newline at end of file diff --git a/conf/test_full.config b/conf/test_full.config index cbd8e212..5e6e56a7 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -34,5 +34,9 @@ params { // Activate GSEA gsea_run = true - gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' + gene_sets_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' + + // Activate gprofiler2 + gprofiler2_run = true + gprofiler2_token = 'gp__0YRX_1WHk_VjE' } diff --git a/docs/usage.md b/docs/usage.md index 79e0dc31..e3beb9a0 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -273,6 +273,15 @@ There is also a [Shiny server application](https://posit.co/download/shiny-serve Currently, two tools can be used to do gene set enrichment analysis. +### GSEA + +[GSEA](https://www.gsea-msigdb.org/gsea/index.jsp) tests for differential genes from within a user-provided set of genes; this requires a GMT or GMX file. The following example shows how to enable this: + +```bash +--gsea_run true \ +--gene_sets_files gene_sets.gmt +``` + ### g:Profiler The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gprofiler2.html) package can be used to test which pathways are enriched for genes that have been determined to be differentially expressed; it is an R interface for the g:Profiler webtool. In the simplest form, this feature can be enabled with the parameters from the following example: @@ -284,15 +293,6 @@ The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gp The organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) is required. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for optional parameters for this step. -### GSEA - -[GSEA](https://www.gsea-msigdb.org/gsea/index.jsp) tests for differential genes from within a user-provided set of genes; this requires a GMT or GMX file. The following example shows how to enable this: - -```bash ---gsea_run true \ ---gene_sets_files gene_sets.gmt -``` - ## Running the pipeline The typical command for running the pipeline is as follows: diff --git a/modules/nf-core/gprofiler2/gost/main.nf b/modules/nf-core/gprofiler2/gost/main.nf index 20ed3d8d..acb18b93 100644 --- a/modules/nf-core/gprofiler2/gost/main.nf +++ b/modules/nf-core/gprofiler2/gost/main.nf @@ -1,5 +1,5 @@ process GPROFILER2_GOST { - tag "$meta" + tag "$meta.id" label 'process_single' conda "${moduleDir}/environment.yml" @@ -8,21 +8,20 @@ process GPROFILER2_GOST { 'biocontainers/mulled-v2-3712554873398d849d0d11b22440f41febbc4ede:aa19bb8afc0ec6456a4f3cd650f7577c3bbdd4f3-0' }" input: - tuple val(meta), val(contrast_variable), val(reference), val(target) - tuple val(meta1), path(de_file) + tuple val(meta), path(de_file) path(gmt_file) path(background_file) output: - tuple val(meta), path("*gprofiler2.*all_enriched_pathways.tsv") , emit: all_enrich - tuple val(meta), path("*gprofiler2.*gost_results.rds") , emit: rds , optional: true - tuple val(meta), path("*gprofiler2.*gostplot.png") , emit: plot_png , optional: true - tuple val(meta), path("*gprofiler2.*gostplot.html") , emit: plot_html , optional: true - tuple val(meta), path("*gprofiler2.*sub_enriched_pathways.tsv") , emit: sub_enrich , optional: true - tuple val(meta), path("*gprofiler2.*sub_enriched_pathways.png") , emit: sub_plot , optional: true - tuple val(meta), path("*ENSG_filtered.gmt") , emit: filtered_gmt, optional: true - tuple val(meta), path("*R_sessionInfo.log") , emit: session_info - path "versions.yml" , emit: versions + tuple val(meta), path("*.gprofiler2.all_enriched_pathways.tsv") , emit: all_enrich + tuple val(meta), path("*.gprofiler2.gost_results.rds") , emit: rds , optional: true + tuple val(meta), path("*.gprofiler2.gostplot.png") , emit: plot_png , optional: true + tuple val(meta), path("*.gprofiler2.gostplot.html") , emit: plot_html , optional: true + tuple val(meta), path("*.gprofiler2.*.sub_enriched_pathways.tsv") , emit: sub_enrich , optional: true + tuple val(meta), path("*.gprofiler2.*.sub_enriched_pathways.png") , emit: sub_plot , optional: true + tuple val(meta), path("*ENSG_filtered.gmt") , emit: filtered_gmt, optional: true + tuple val(meta), path("*R_sessionInfo.log") , emit: session_info + path "versions.yml" , emit: versions when: task.ext.when == null || task.ext.when diff --git a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R index f9b6c5fb..b10bbbda 100644 --- a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R +++ b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R @@ -126,10 +126,7 @@ opt <- list( de_id_column = 'gene_id', organism = NULL, sources = NULL, - contrast_variable = '$contrast_variable', - reference_level = '$reference', - target_level = '$target', - blocking_variables = NULL, + output_prefix = ifelse('$task.ext.prefix' == 'null', '$meta.id', '$task.ext.prefix'), significant = T, measure_underrepresentation = F, correction_method = 'gSCS', @@ -162,9 +159,8 @@ for ( ao in names(args_opt)) { opt[[ao]] <- args_opt[[ao]] } } - # Check if required parameters have been provided -required_opts <- c('contrast_variable', 'reference_level', 'target_level') +required_opts <- c('output_prefix') missing <- required_opts[unlist(lapply(opt[required_opts], is.null)) | ! required_opts %in% names(opt)] if (length(missing) > 0) { @@ -206,13 +202,10 @@ de.genes <- file = opt\$de_file ) -# Create prefix from contrast var, reference and target as well as blocking (if provided) -contrast_name <- paste(opt\$contrast_variable, opt\$reference_level, opt\$target_level, sep = '_') -output_prefix <- paste('gprofiler2', contrast_name, sep = '.') -if (!is.null(opt\$blocking_variables)) { - blocking_variables <- paste(make.names(unlist(strsplit(opt\$blocking_variables, split = ','))), collapse = '_') - output_prefix <- paste(output_prefix, blocking_variables, sep= '_') -} +output_prefix <- paste0(opt\$output_prefix, ".gprofiler2") + +# Create empty output table as it is a mandatory output +file.create(paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.')) if (nrow(de.genes) > 0) { @@ -328,8 +321,7 @@ if (nrow(de.genes) > 0) { # Name the query as it will otherwise be called 'query_1' which will also determine the gostplot title q <- list(query) - names(q) <- c(paste0(contrast_name, ifelse(!is.null(opt\$blocking_variables), paste0("_", blocking_variables), ""))) - + names(q) <- c(output_prefix) gost_results <- gost( query=q, organism=token, @@ -365,7 +357,7 @@ if (nrow(de.genes) > 0) { # R object for other processes to use - saveRDS(gost_results, file = paste(opt\$contrast_variable, 'gprofiler2.gost_results.rds', sep = '.')) + saveRDS(gost_results, file = paste(output_prefix, 'gprofiler2.gost_results.rds', sep = '.')) # Write full enrichment table (except parents column as that one throws an error) @@ -385,6 +377,7 @@ if (nrow(de.genes) > 0) { # Iterate over the enrichment results by source and save separate tables for (df in split(gost_results\$result, gost_results\$result\$source)){ + db_source <- df\$source[1] df_subset <- data.frame( Pathway_name = df\$term_name, @@ -430,8 +423,6 @@ if (nrow(de.genes) > 0) { } } } else { - # Create empty output table as it is a mandatory output - file.create(paste(output_prefix, 'all_enriched_pathways', 'tsv', sep = '.')) print("No differential features found, pathway enrichment analysis with gprofiler2 will be skipped.") } diff --git a/nextflow.config b/nextflow.config index 528c01ca..443fab2d 100644 --- a/nextflow.config +++ b/nextflow.config @@ -165,7 +165,7 @@ params { gprofiler2_evcodes = false gprofiler2_max_qval = 0.05 gprofiler2_token = null - gprofiler2_background_file = null + gprofiler2_background_file = 'auto' gprofiler2_background_column = null gprofiler2_domain_scope = 'annotated' gprofiler2_min_diff = 1 diff --git a/nextflow_schema.json b/nextflow_schema.json index 9a359780..9d01bd90 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -911,9 +911,9 @@ }, "gprofiler2_background_file": { "type": "string", - "pattern": "^\\S+\\.(csv|tsv|txt)$|auto|null", - "description": "Path to CSV/TSV/TXT file that should be used as a background for the query; alternatively, 'auto'.", - "help_text": "It is advisable to run pathway analysis with a set of background genes describing which genes exist in the target organism in the first place so that other genes are not at all considered. You can provide a CSV/TSV table where one column contains gene IDs and the other rows contain abundance values, or a TXT file that simply contains one gene ID per line. Alternatively, you can set this parameter to 'auto'; in that case, the input abundance matrix will be used. If a matrix is used, all genes will be considered which had at least some abundance (i.e. sum of all abundance values in a row > 0)." + "pattern": "^\\S+\\.(csv|tsv|txt)$|auto|false", + "description": "Path to CSV/TSV/TXT file that should be used as a background for the query; alternatively, 'auto' (default) or 'false'.", + "help_text": "It is advisable to run pathway analysis with a set of background genes describing which genes exist in the target organism in the first place so that other genes are not at all considered. This parameter is by default set to 'auto', meaning that the filtered input abundance matrix will be used. Alternatively, you can provide a CSV/TSV table where one column contains gene IDs and the other rows contain abundance values, or a TXT file that simply contains one gene ID per line. If a custom CSV/TSV is used, all genes will be considered which had at least some abundance (i.e. sum of all abundance values in a row > 0). Set to 'false' if you do not want to use a background." }, "gprofiler2_background_column": { "type": "string", diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index ef573eb8..c81ae8f7 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -407,8 +407,8 @@ workflow DIFFERENTIALABUNDANCE { } // We'll use a local module to filter the differential tables and create output files that contain only differential features - ch_logfc = Channel.value([ (params.study_type == 'rnaseq' ? 'log2FoldChange' : 'logFC'), params.differential_min_fold_change ]) - ch_padj = Channel.value([ (params.study_type == 'rnaseq' ? 'padj' : 'adj.P.Val'), params.differential_max_qval ]) + ch_logfc = Channel.value([ params.differential_fc_column, params.differential_min_fold_change ]) + ch_padj = Channel.value([ params.differential_qval_column, params.differential_max_qval ]) FILTER_DIFFTABLE( ch_differential, @@ -480,17 +480,16 @@ workflow DIFFERENTIALABUNDANCE { ch_filtered_diff = FILTER_DIFFTABLE.out.filtered if (!params.gprofiler2_background_file) { - // If param not set, use empty list as "background" + // If deactivated, use empty list as "background" ch_background = [] + print('Using no bg') } else if (params.gprofiler2_background_file == "auto") { // If auto, use input matrix as background - if(params.study_type == "geo_soft_file") { - ch_background = ch_norm.map{it.tail()} - } else { - ch_background = ch_raw.map{it.tail()} - } + ch_background = CUSTOM_MATRIXFILTER.out.filtered.map{it.tail()}.first() + print('Using auto bg') } else { ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) + print('Using custom bg') } if (!params.gene_sets_files) { ch_gene_sets = [] @@ -499,7 +498,6 @@ workflow DIFFERENTIALABUNDANCE { } GPROFILER2_GOST( - ch_contrasts, ch_filtered_diff, ch_gene_sets, ch_background From 513e00b9b2b43d2d6b50b6d77e24243bd9626f49 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 13 Dec 2023 09:50:20 +0100 Subject: [PATCH 040/168] Removed prints --- workflows/differentialabundance.nf | 3 --- 1 file changed, 3 deletions(-) diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index c81ae8f7..35e13f15 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -482,14 +482,11 @@ workflow DIFFERENTIALABUNDANCE { if (!params.gprofiler2_background_file) { // If deactivated, use empty list as "background" ch_background = [] - print('Using no bg') } else if (params.gprofiler2_background_file == "auto") { // If auto, use input matrix as background ch_background = CUSTOM_MATRIXFILTER.out.filtered.map{it.tail()}.first() - print('Using auto bg') } else { ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) - print('Using custom bg') } if (!params.gene_sets_files) { ch_gene_sets = [] From 4989dc75230b1a6231278c24c438ab010e549172 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 13 Dec 2023 12:18:18 +0100 Subject: [PATCH 041/168] Renamed gene_sets param, updated gprofiler --- conf/test.config | 2 +- modules.json | 2 +- modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/conf/test.config b/conf/test.config index 35aec606..5e11bffa 100644 --- a/conf/test.config +++ b/conf/test.config @@ -47,5 +47,5 @@ params { // Activate GSEA gsea_run = true - gsea_gene_sets = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' + gene_sets_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' } \ No newline at end of file diff --git a/modules.json b/modules.json index fd66ee89..94550301 100644 --- a/modules.json +++ b/modules.json @@ -47,7 +47,7 @@ }, "gprofiler2/gost": { "branch": "master", - "git_sha": "3d1f6ffb1bf62e35b001e68de1f59a19fe6562ad", + "git_sha": "ef6053bc3108012d0c1940a179cde0f6a5b7c409", "installed_by": ["modules"] }, "gsea/gsea": { diff --git a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R index b10bbbda..935fa9cd 100644 --- a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R +++ b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R @@ -357,7 +357,7 @@ if (nrow(de.genes) > 0) { # R object for other processes to use - saveRDS(gost_results, file = paste(output_prefix, 'gprofiler2.gost_results.rds', sep = '.')) + saveRDS(gost_results, file = paste(output_prefix, 'gost_results.rds', sep = '.')) # Write full enrichment table (except parents column as that one throws an error) From afe5f5f61eab746e164ce18724000e610282a354 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 13 Dec 2023 12:25:27 +0100 Subject: [PATCH 042/168] Added final newline --- conf/test.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/test.config b/conf/test.config index 5e11bffa..dce5f799 100644 --- a/conf/test.config +++ b/conf/test.config @@ -48,4 +48,4 @@ params { // Activate GSEA gsea_run = true gene_sets_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' -} \ No newline at end of file +} From f971092905e2915f2d8f62ac1e45f8936652fc4d Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 14 Dec 2023 09:17:00 +0100 Subject: [PATCH 043/168] Removed redundant code lines --- assets/differentialabundance_report.Rmd | 2 -- 1 file changed, 2 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 27f206b6..0372852d 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -910,8 +910,6 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ } } else if (gene_set_method == 'gprofiler2') { - enrichment_files <- grep("gprofiler2", list.files(params$input_dir), value=T, fixed=T) - tsv_files <- grep("all_enriched_pathways.tsv", enrichment_files, value=T, fixed=T) cat(paste0("\nThis section contains the results tables of the pathway analysis which was done with the R package gprofiler2. The differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <= ", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) From 299d5ab76384ce406cf3b4566243de81ec98f37a Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Thu, 14 Dec 2023 09:20:53 +0100 Subject: [PATCH 044/168] Update modules/local/filter_difftable.nf Co-authored-by: Jonathan Manning --- modules/local/filter_difftable.nf | 54 ++++++++++++++++--------------- 1 file changed, 28 insertions(+), 26 deletions(-) diff --git a/modules/local/filter_difftable.nf b/modules/local/filter_difftable.nf index 01cd099d..4bfbc607 100644 --- a/modules/local/filter_difftable.nf +++ b/modules/local/filter_difftable.nf @@ -22,34 +22,36 @@ process FILTER_DIFFTABLE { script: def VERSION = '9.1' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions. """ - function find_column_number { - file=\$1 - column=\$2 +output_file="\${input_file%.*}_filtered.tsv" - head -n 1 \$file | tr '\\t' '\\n' | grep -n "^\${column}\$" | awk -F':' '{print \$1}' - } - - # export the two threshold as otherwise, awk will for some reason interpret them incorrectly; padj_threshold 0.05 then becomes 0 - export logFC_threshold - export padj_threshold - - - logFC_threshold=$logFC_threshold - padj_threshold=$padj_threshold - - logFC_col=\$(find_column_number $tsv $logFC_column) - padj_col=\$(find_column_number $tsv $padj_column) - outfile=\$(echo $tsv | sed 's/\\(.*\\)\\..*/\\1/')_filtered.tsv - - head -n 1 $tsv > \${outfile}.tmp +# Function to find column number +find_column_number() { + awk -v column="\$2" '{for(i=1;i<=NF;i++) if (\$i == column) {print i; exit}}' <<< "\$(head -n 1 "\$1")" +} - # The following snippet performs the following checks on each row (add +0.0 to the numbers so that they are definitely treated as numerics): - # 1. Check that the current logFC/padj is not NA - # 2. Check that the current logFC is >= threshold (abs does not work, so use a workaround) - # 3. Check that the current padj is <= threshold - # If this is true, the row is written to the new file, otherwise not - tail -n +2 $tsv | awk -F'\\t' -v logFC_col=\$logFC_col -v padj_col=\$padj_col ' - \$logFC_col != "NA" && \$padj_col != "NA" && (\$logFC_col+0.0 >= 0 ? \$logFC_col+0.0 >= ENVIRON["logFC_threshold"]+0.0 : -(\$logFC_col+0.0) >= ENVIRON["logFC_threshold"]+0.0) && \$padj_col+0.0 <= ENVIRON["padj_threshold"]+0.0 {print}' >> \${outfile}.tmp +# Extract column numbers +logFC_col=\$(find_column_number "\$input_file" "log2FoldChange") +padj_col=\$(find_column_number "\$input_file" "padj") + +# Prepare the output file +head -n 1 "\$input_file" > "\${output_file}.tmp" + +# The following snippet performs the following checks on each row (add +0.0 to the numbers so that they are definitely treated as numerics): +# +# 1. Check that the current logFC/padj is not NA +# 2. Check that the current logFC is >= threshold (abs does not work, so use a workaround) +# 3. Check that the current padj is <= threshold +# +# If this is true, the row is written to the new file, otherwise not + +awk -F'\\t' -v logFC_col="\$logFC_col" -v padj_col="\$padj_col" -v logFC_thresh="\$logFC_threshold" -v padj_thresh="\$padj_threshold" ' + NR > 1 && \$logFC_col != "NA" && \$padj_col != "NA" && + ((\$logFC_col+0.0 >= logFC_thresh+0.0) || (-\$logFC_col+0.0 >= logFC_thresh+0.0)) && + \$padj_col+0.0 <= padj_thresh+0.0 { print } +' "\$input_file" >> "\${output_file}.tmp" + +# Rename temporary file to final output file +mv "\${output_file}.tmp" "\$output_file" mv \${outfile}.tmp \${outfile} From 57bb2c5cf9d2648f3ed26b75f9d40baf43cc0bd4 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 14 Dec 2023 10:44:02 +0100 Subject: [PATCH 045/168] Fixed filter module, added gprofiler background docu --- docs/usage.md | 2 +- modules/local/filter_difftable.nf | 64 +++++++++++++++---------------- 2 files changed, 32 insertions(+), 34 deletions(-) diff --git a/docs/usage.md b/docs/usage.md index e3beb9a0..4ac559ca 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -291,7 +291,7 @@ The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gp --gprofiler2_organism mmusculus ``` -The organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) is required. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for optional parameters for this step. +Either a token from a previous g:profiler run, a custom GMT file or the organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) is required. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for the parameters for this step. Also, by default the analysis will be run with a background list of genes that passed the abundance filter (i.e. those genes that actually had some expression); see for example https://doi.org/10.1186/s13059-015-0761-7 for why this is advisable. You can provide your own background list with `--gprofiler2_background_file background.txt`; alternatively, if you want to not use any background, set this: `--gprofiler2_background_file false`. ## Running the pipeline diff --git a/modules/local/filter_difftable.nf b/modules/local/filter_difftable.nf index 4bfbc607..c8d6c5f9 100644 --- a/modules/local/filter_difftable.nf +++ b/modules/local/filter_difftable.nf @@ -8,7 +8,7 @@ process FILTER_DIFFTABLE { 'biocontainers/gawk:5.1.0' }" input: - tuple val(meta), path(tsv) + tuple val(meta), path(input_file) tuple val(logFC_column), val(logFC_threshold) tuple val(padj_column), val(padj_threshold) @@ -22,38 +22,36 @@ process FILTER_DIFFTABLE { script: def VERSION = '9.1' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions. """ -output_file="\${input_file%.*}_filtered.tsv" - -# Function to find column number -find_column_number() { - awk -v column="\$2" '{for(i=1;i<=NF;i++) if (\$i == column) {print i; exit}}' <<< "\$(head -n 1 "\$1")" -} - -# Extract column numbers -logFC_col=\$(find_column_number "\$input_file" "log2FoldChange") -padj_col=\$(find_column_number "\$input_file" "padj") - -# Prepare the output file -head -n 1 "\$input_file" > "\${output_file}.tmp" - -# The following snippet performs the following checks on each row (add +0.0 to the numbers so that they are definitely treated as numerics): -# -# 1. Check that the current logFC/padj is not NA -# 2. Check that the current logFC is >= threshold (abs does not work, so use a workaround) -# 3. Check that the current padj is <= threshold -# -# If this is true, the row is written to the new file, otherwise not - -awk -F'\\t' -v logFC_col="\$logFC_col" -v padj_col="\$padj_col" -v logFC_thresh="\$logFC_threshold" -v padj_thresh="\$padj_threshold" ' - NR > 1 && \$logFC_col != "NA" && \$padj_col != "NA" && - ((\$logFC_col+0.0 >= logFC_thresh+0.0) || (-\$logFC_col+0.0 >= logFC_thresh+0.0)) && - \$padj_col+0.0 <= padj_thresh+0.0 { print } -' "\$input_file" >> "\${output_file}.tmp" - -# Rename temporary file to final output file -mv "\${output_file}.tmp" "\$output_file" - - mv \${outfile}.tmp \${outfile} + output_file=\$(echo $input_file | sed 's/\\(.*\\)\\..*/\\1/')_filtered.tsv + + # Function to find column number + find_column_number() { + awk -v column="\$2" '{for(i=1;i<=NF;i++) if (\$i == column) {print i; exit}}' <<< "\$(head -n 1 "\$1")" + } + + # Extract column numbers + logFC_col=\$(find_column_number "$input_file" "log2FoldChange") + padj_col=\$(find_column_number "$input_file" "padj") + + # Prepare the output file + head -n 1 "$input_file" > "\${output_file}.tmp" + + # The following snippet performs the following checks on each row (add +0.0 to the numbers so that they are definitely treated as numerics): + # + # 1. Check that the current logFC/padj is not NA + # 2. Check that the current logFC is >= threshold (abs does not work, so use a workaround) + # 3. Check that the current padj is <= threshold + # + # If this is true, the row is written to the new file, otherwise not + + awk -F'\\t' -v logFC_col="\$logFC_col" -v padj_col="\$padj_col" -v logFC_thresh="$logFC_threshold" -v padj_thresh="$padj_threshold" ' + NR > 1 && \$logFC_col != "NA" && \$padj_col != "NA" && + ((\$logFC_col+0.0 >= logFC_thresh+0.0) || (-\$logFC_col+0.0 >= logFC_thresh+0.0)) && + \$padj_col+0.0 <= padj_thresh+0.0 { print } + ' "$input_file" >> "\${output_file}.tmp" + + # Rename temporary file to final output file + mv "\${output_file}.tmp" "\$output_file" cat <<-END_VERSIONS > versions.yml "${task.process}": From 8bae50ea1d4d7362ec58715bd42db3c17a84ca61 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 14 Dec 2023 15:49:02 +0100 Subject: [PATCH 046/168] Removed token from full test --- conf/test_full.config | 1 - 1 file changed, 1 deletion(-) diff --git a/conf/test_full.config b/conf/test_full.config index 5e6e56a7..e4c2dc70 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -38,5 +38,4 @@ params { // Activate gprofiler2 gprofiler2_run = true - gprofiler2_token = 'gp__0YRX_1WHk_VjE' } From 76a628ac98346093d4fe310298b1033080b2494f Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 14 Dec 2023 16:32:28 +0100 Subject: [PATCH 047/168] Updated gprofiler docu --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index 4ac559ca..f0954cf7 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -284,7 +284,7 @@ Currently, two tools can be used to do gene set enrichment analysis. ### g:Profiler -The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gprofiler2.html) package can be used to test which pathways are enriched for genes that have been determined to be differentially expressed; it is an R interface for the g:Profiler webtool. In the simplest form, this feature can be enabled with the parameters from the following example: +The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gprofiler2.html) package can be used to test which pathways are enriched in the sets of differential genes produced by the the DESeq2 or limma modules. It is an R interface for the g:Profiler webtool. In the simplest form, this feature can be enabled with the parameters from the following example: ```bash --gprofiler2_run true \ From f026a95c4b8f6d6714a6535aadec32ebd58dc2a8 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 15 Dec 2023 08:21:59 +0100 Subject: [PATCH 048/168] Updated output docs --- docs/output.md | 11 +++++++++-- 1 file changed, 9 insertions(+), 2 deletions(-) diff --git a/docs/output.md b/docs/output.md index 26c247ec..080bd870 100644 --- a/docs/output.md +++ b/docs/output.md @@ -38,6 +38,10 @@ Stand-alone graphical outputs are placed in this directory. They may be useful i - `[contrast]/png/volcano.png`: Volcano plots of -log(10) p value agains log(2) fold changes - `gsea/`: Directory containing graphical outputs from GSEA (where enabled). Plots are stored in directories named for the associated contrast. - `[contrast]/png/[gsea_plot_type].png` + - `gprofiler2/`: Directory containing graphical outputs from gprofiler2 (where enabled). Plots are stored in directories named for the associated contrast. + - `[contrast]/[contrast].gprofiler2.[source].gostplot.html`: An interactive gprofiler2 Manhattan plot of enriched pathways from one specific source/database, e.g. REAC + - `[contrast]/[contrast].gprofiler2.[source].gostplot.png`: A static gprofiler2 Manhattan plot of enriched pathways from one specific source/database, e.g. REAC + - `[contrast]/[contrast].gprofiler2.[source].sub_enriched_pathways.png`: A gprofiler2 bar plot of enriched pathways and how strongly enriched they are from one specific source/database, e.g. REAC - `proteus/`: If `--study_type maxquant`: Directory containing plots produced by the proteus module which is used for processing MaxQuant input. Files are prefixed with the associated contrast and chosen normalization function (if any). - `[contrast]/[norm_function].normalized_dendrogram.png`: A sample clustering dendrogram after normalization. - `[contrast]/[norm_function].normalized_mean_variance_relationship.png`: Plots of log intensity vs mean log intensity after normalization of each contrast level. @@ -63,10 +67,13 @@ Most plots are included in the HTML report (see above), but are also included in - `raw.matrix.tsv`: RMA background corrected matrix (Affy) - `normalised.matrix.tsv`: RMA background corrected and normalised intensities matrix (Affy) - `differential/`: Directory containing tables of differential statistics reported by differential modules such as DESeq2 - - `[contrast_name].deseq2.results.tsv`: Results of DESeq2 differential analyis (RNA-seq) - - `OR [contrast_name].limma.results.tsv`: Results of Limma differential analyis (Affymetrix arrays) + - `[contrast_name].[deseq2|limma].results.tsv`: Results of DESeq2 differential analyis (RNA-seq) OR Limma differential analysis (Affymetrix arrays, GEO studies, Maxquant proteomics studies) + - `[contrast_name].[deseq2|limma].results_filtered.tsv`: Results of DESeq2 differential analyis (RNA-seq) OR Limma differential analysis (Affymetrix arrays, GEO studies, Maxquant proteomics studies); filtered for differentially abundant entries - `gsea/`: Directory containing tables of differential gene set analyis from GSEA (where enabled) - `[contrast]/[contrast].gsea_report_for_[condition].tsv`: A GSEA report table for each side of each contrast + - `gprofiler2/`: Directory containing tables of differential gene set analyis from gprofiler2 (where enabled) + - `[contrast]/[contrast].gprofiler2.all_enriched_pathways.tsv`: A gprofiler2 report table for all enrichment results + - `[contrast]/[contrast].gprofiler2.[source].sub_enriched_pathways.tsv`: A gprofiler2 report table of enriched pathways from one specific source/database, e.g. REAC - `proteus/`: If `--study_type maxquant`: Directory containing abundance values produced by the proteus module which is used for processing MaxQuant input. Files are prefixed with the associated contrast and chosen normalization function (if any). - `[contrast]/[norm_function].normalized_proteingroups_tab.tsv`: Abundance table after normalization. - `[contrast]/raw_proteingroups_tab.tsv`: Abundance table without normalization. From 05e98babf5deef0e49f1186493daa83155773902 Mon Sep 17 00:00:00 2001 From: WackerO Date: Mon, 18 Dec 2023 12:36:08 +0100 Subject: [PATCH 049/168] Added param for selectively running gprofiler2 without GMT --- conf/test_full.config | 2 ++ nextflow.config | 1 + nextflow_schema.json | 6 ++++++ workflows/differentialabundance.nf | 8 +++++++- 4 files changed, 16 insertions(+), 1 deletion(-) diff --git a/conf/test_full.config b/conf/test_full.config index e4c2dc70..7cac5331 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -38,4 +38,6 @@ params { // Activate gprofiler2 gprofiler2_run = true + gprofiler2_organism = 'mmusculus' + gprofiler2_mode = 'organism' } diff --git a/nextflow.config b/nextflow.config index 443fab2d..e1cd4d7c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -157,6 +157,7 @@ params { // gprofiler2 options gprofiler2_run = false + gprofiler2_mode = null gprofiler2_organism = null gprofiler2_significant = true gprofiler2_measure_underrepresentation = false diff --git a/nextflow_schema.json b/nextflow_schema.json index 9d01bd90..a2e8123a 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -865,6 +865,12 @@ "description": "Set to run gprofiler2 and do a pathway enrichment analysis.", "fa_icon": "fas fa-running" }, + "gprofiler2_mode": { + "type": "string", + "description": "Set this param if --gene_sets_files is set for other modules but gprofiler2 should use token or organism.", + "help_text": "One of token, organism.", + "enum": ["token", "organism"] + }, "gprofiler2_organism": { "type": "string", "description": "Short name of the organism that is analyzed, e.g. hsapiens for homo sapiens.", diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 35e13f15..2fcd8c1b 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -81,6 +81,12 @@ if (params.gprofiler2_run) { if (!params.gprofiler2_token && !params.gene_sets_files && !params.gprofiler2_organism) { error("To run gprofiler2, please provide a run token, GMT file or organism!") } + if (params.gprofiler2_mode == "token" && !params.gprofiler2_token) { + error("--gprofiler2_mode set to 'token' but no --gprofiler2_token provided!") + } + if (params.gprofiler2_mode == "organism" && !params.gprofiler2_organism) { + error("--gprofiler2_mode set to 'organism' but no --gprofiler2_organism provided!") + } } report_file = file(params.report_file, checkIfExists: true) @@ -488,7 +494,7 @@ workflow DIFFERENTIALABUNDANCE { } else { ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) } - if (!params.gene_sets_files) { + if (!params.gene_sets_files || params.gprofiler2_mode == "token" || params.gprofiler2_mode == "organism") { ch_gene_sets = [] } else { ch_gene_sets = Channel.value(params.gene_sets_files) From a89bc9316511e293e9d49ae81cca9cfca49e5798 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Mon, 18 Dec 2023 19:28:39 +0000 Subject: [PATCH 050/168] Streamline gene set conditionals, don't overwrite global gene sets channel for gprofiler --- workflows/differentialabundance.nf | 44 ++++++++++++++++-------------- 1 file changed, 23 insertions(+), 21 deletions(-) diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 2fcd8c1b..1bc3ed61 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -29,7 +29,7 @@ if (params.study_type == 'affy_array'){ error("CEL files archive not specified!") } } else if (params.study_type == 'maxquant') { - + // Should the user have enabled --gsea_run, throw an error if (params.gsea_run) { error("Cannot run GSEA for maxquant data; please set --gsea_run to false.") @@ -69,23 +69,25 @@ if (params.study_type == 'affy_array'){ // Check optional parameters if (params.transcript_length_matrix) { ch_transcript_lengths = Channel.of([ exp_meta, file(params.transcript_length_matrix, checkIfExists: true)]).first() } else { ch_transcript_lengths = [[],[]] } if (params.control_features) { ch_control_features = Channel.of([ exp_meta, file(params.control_features, checkIfExists: true)]).first() } else { ch_control_features = [[],[]] } -if (params.gsea_run) { - if (params.gene_sets_files){ + +def run_gene_set_analysis = params.gsea_run || params.gprofiler2_run + +if (run_gene_set_analysis) { + if (params.gene_sets_files) { gene_sets_files = params.gene_sets_files.split(",") ch_gene_sets = Channel.of(gene_sets_files).map { file(it, checkIfExists: true) } - } else { + } else if (params.gsea_run) { error("GSEA activated but gene set file not specified!") - } -} -if (params.gprofiler2_run) { - if (!params.gprofiler2_token && !params.gene_sets_files && !params.gprofiler2_organism) { - error("To run gprofiler2, please provide a run token, GMT file or organism!") - } - if (params.gprofiler2_mode == "token" && !params.gprofiler2_token) { - error("--gprofiler2_mode set to 'token' but no --gprofiler2_token provided!") - } - if (params.gprofiler2_mode == "organism" && !params.gprofiler2_organism) { - error("--gprofiler2_mode set to 'organism' but no --gprofiler2_organism provided!") + } else if (params.gprofiler2_run) { + if (!params.gene_sets_files && !params.gprofiler2_organism) { + error("To run gprofiler2, please provide a run token, GMT file or organism!") + } else if (params.gprofiler2_mode == "token" && !params.gprofiler2_token) { + error("--gprofiler2_mode set to 'token' but no --gprofiler2_token provided!") + } else if (params.gprofiler2_mode == "organism" && !params.gprofiler2_organism) { + error("--gprofiler2_mode set to 'organism' but no --gprofiler2_organism provided!") + } + } else { + ch_gene_sets = [] // For methods that can run without gene sets } } @@ -386,7 +388,7 @@ workflow DIFFERENTIALABUNDANCE { ch_control_features, ch_transcript_lengths ) - + // Let's make the simplifying assumption that the processed matrices from // the DESeq runs are the same across contrasts. We run the DESeq process // with matrices once for each contrast because DESeqDataSetFromMatrix() @@ -494,15 +496,15 @@ workflow DIFFERENTIALABUNDANCE { } else { ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) } - if (!params.gene_sets_files || params.gprofiler2_mode == "token" || params.gprofiler2_mode == "organism") { - ch_gene_sets = [] - } else { - ch_gene_sets = Channel.value(params.gene_sets_files) + + ch_gprofiler_gene_sets = ch_gene_sets + if (params.gprofiler2_mode == "token" || params.gprofiler2_mode == "organism") { + ch_gprofiler_gene_sets = [] } GPROFILER2_GOST( ch_filtered_diff, - ch_gene_sets, + ch_gprofiler_gene_sets, ch_background ) } From b2af649d19b6555b635eafe7a56c81559d7e9692 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 19 Dec 2023 13:49:02 +0100 Subject: [PATCH 051/168] removed gprofiler mode --- conf/test_full.config | 1 - docs/usage.md | 2 +- .../gost/templates/gprofiler2_gost.R | 37 ++++++++++--------- nextflow.config | 1 - nextflow_schema.json | 10 +---- workflows/differentialabundance.nf | 8 +--- 6 files changed, 24 insertions(+), 35 deletions(-) diff --git a/conf/test_full.config b/conf/test_full.config index 7cac5331..dcc87126 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -39,5 +39,4 @@ params { // Activate gprofiler2 gprofiler2_run = true gprofiler2_organism = 'mmusculus' - gprofiler2_mode = 'organism' } diff --git a/docs/usage.md b/docs/usage.md index f0954cf7..b4df4ebf 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -291,7 +291,7 @@ The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gp --gprofiler2_organism mmusculus ``` -Either a token from a previous g:profiler run, a custom GMT file or the organism (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) is required. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for the parameters for this step. Also, by default the analysis will be run with a background list of genes that passed the abundance filter (i.e. those genes that actually had some expression); see for example https://doi.org/10.1186/s13059-015-0761-7 for why this is advisable. You can provide your own background list with `--gprofiler2_background_file background.txt`; alternatively, if you want to not use any background, set this: `--gprofiler2_background_file false`. +Either a `--gprofiler2_token` from a previous g:profiler run, the `--gprofiler2_organism` (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) or a custom `--gene_sets_files` GMT file is required; if multiple options are provided, will prioritize token, then organism, then GMT file. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for the parameters for this step. Also, by default the analysis will be run with a background list of genes that passed the abundance filter (i.e. those genes that actually had some expression); see for example https://doi.org/10.1186/s13059-015-0761-7 for why this is advisable. You can provide your own background list with `--gprofiler2_background_file background.txt`; alternatively, if you want to not use any background, set this: `--gprofiler2_background_file false`. ## Running the pipeline diff --git a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R index 935fa9cd..74bec56d 100644 --- a/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R +++ b/modules/nf-core/gprofiler2/gost/templates/gprofiler2_gost.R @@ -231,25 +231,10 @@ if (nrow(de.genes) > 0) { # First check if a token was provided token <- opt\$token - } else if (opt\$gmt_file != "") { - # Next check if custom GMT file was provided - gmt_path <- opt\$gmt_file - - # If sources are set, extract only requested entries (gprofiler will NOT filter automatically!) - if (!is.null(sources)) { - gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(opt\$gmt)) - gmt_path <- paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_filtered.gmt") - writeLines(gmt, gmt_path) - } + } else if (!is.null(opt\$organism)) { - token <- upload_GMT_file(gmt_path) - - # Add gost ID to output GMT name so that it can be reused in future runs - file.rename(gmt_path, paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_gostID_", token, "_filtered.gmt")) - } else { - - # Otherwise, get the GMT file from gprofiler and save both the full file as well as the filtered one to metadata + # Next, check if organism was provided. Get the GMT file from gprofiler and save both the full file as well as the filtered one to metadata gmt_url <- paste0("https://biit.cs.ut.ee/gprofiler//static/gprofiler_full_", opt\$organism, ".ENSG.gmt") tryCatch( { @@ -279,6 +264,24 @@ if (nrow(de.genes) > 0) { } ) token <- opt\$organism + + } else { + + # Last option: Use custom GMT file + gmt_path <- opt\$gmt_file + + # If sources are set, extract only requested entries (gprofiler will NOT filter automatically!) + if (!is.null(sources)) { + gmt <- Filter(function(line) any(startsWith(line, sources)), readLines(opt\$gmt)) + gmt_path <- paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_filtered.gmt") + writeLines(gmt, gmt_path) + } + + token <- upload_GMT_file(gmt_path) + + # Add gost ID to output GMT name so that it can be reused in future runs + file.rename(gmt_path, paste0(strsplit(basename(opt\$gmt_file), split = "\\\\.")[[1]][[1]], ".", paste(sources, collapse="_"), "_gostID_", token, "_filtered.gmt")) + } diff --git a/nextflow.config b/nextflow.config index e1cd4d7c..443fab2d 100644 --- a/nextflow.config +++ b/nextflow.config @@ -157,7 +157,6 @@ params { // gprofiler2 options gprofiler2_run = false - gprofiler2_mode = null gprofiler2_organism = null gprofiler2_significant = true gprofiler2_measure_underrepresentation = false diff --git a/nextflow_schema.json b/nextflow_schema.json index a2e8123a..84247d58 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -865,16 +865,10 @@ "description": "Set to run gprofiler2 and do a pathway enrichment analysis.", "fa_icon": "fas fa-running" }, - "gprofiler2_mode": { - "type": "string", - "description": "Set this param if --gene_sets_files is set for other modules but gprofiler2 should use token or organism.", - "help_text": "One of token, organism.", - "enum": ["token", "organism"] - }, "gprofiler2_organism": { "type": "string", "description": "Short name of the organism that is analyzed, e.g. hsapiens for homo sapiens.", - "help_text": "Set this to the short organism name consisting of the first letter of the genus and the full species name, e.g. hsapiens for Homo sapiens, mmusculus for Mus musculus. This has lowest priority and will be overridden by --gprofiler2_token and --gene_sets_files." + "help_text": "Set this to the short organism name consisting of the first letter of the genus and the full species name, e.g. hsapiens for Homo sapiens, mmusculus for Mus musculus. This has second priority and will be overridden by --gprofiler2_token." }, "gprofiler2_significant": { "type": "boolean", @@ -995,7 +989,7 @@ "gene_sets_files": { "type": "string", "default": "None", - "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files in either format are possible. For gprofiler2: A single file in GMT format is possible; this has second highest priority and will override --gprofiler2_organism.", + "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files in either format are possible. For gprofiler2: A single file in GMT format is possible; this has lowest priority and will be overridden by --gprofiler2_token and --gprofiler2_organism.", "fa_icon": "fas fa-bars" } } diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 2fcd8c1b..35e13f15 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -81,12 +81,6 @@ if (params.gprofiler2_run) { if (!params.gprofiler2_token && !params.gene_sets_files && !params.gprofiler2_organism) { error("To run gprofiler2, please provide a run token, GMT file or organism!") } - if (params.gprofiler2_mode == "token" && !params.gprofiler2_token) { - error("--gprofiler2_mode set to 'token' but no --gprofiler2_token provided!") - } - if (params.gprofiler2_mode == "organism" && !params.gprofiler2_organism) { - error("--gprofiler2_mode set to 'organism' but no --gprofiler2_organism provided!") - } } report_file = file(params.report_file, checkIfExists: true) @@ -494,7 +488,7 @@ workflow DIFFERENTIALABUNDANCE { } else { ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) } - if (!params.gene_sets_files || params.gprofiler2_mode == "token" || params.gprofiler2_mode == "organism") { + if (!params.gene_sets_files) { ch_gene_sets = [] } else { ch_gene_sets = Channel.value(params.gene_sets_files) From cd3bdf50194f4c8e5d602ac73efcf1601eebb4b0 Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Tue, 19 Dec 2023 19:03:49 +0000 Subject: [PATCH 052/168] Template update for nf-core/tools version 2.11 --- .github/CONTRIBUTING.md | 3 + .github/PULL_REQUEST_TEMPLATE.md | 1 + .github/workflows/ci.yml | 2 +- .github/workflows/fix-linting.yml | 4 +- .github/workflows/linting.yml | 12 +- .gitpod.yml | 4 +- CHANGELOG.md | 2 +- README.md | 17 +-- assets/multiqc_config.yml | 2 +- assets/slackreport.json | 2 +- conf/modules.config | 2 +- docs/usage.md | 4 +- lib/NfcoreTemplate.groovy | 32 ++--- modules.json | 6 +- .../dumpsoftwareversions/environment.yml | 7 ++ .../custom/dumpsoftwareversions/main.nf | 6 +- .../custom/dumpsoftwareversions/meta.yml | 7 +- .../dumpsoftwareversions/tests/main.nf.test | 38 ++++++ .../tests/main.nf.test.snap | 27 +++++ .../dumpsoftwareversions/tests/tags.yml | 2 + modules/nf-core/fastqc/environment.yml | 7 ++ modules/nf-core/fastqc/main.nf | 10 +- modules/nf-core/fastqc/meta.yml | 5 + modules/nf-core/fastqc/tests/main.nf.test | 109 ++++++++++++++++++ .../nf-core/fastqc/tests/main.nf.test.snap | 10 ++ modules/nf-core/fastqc/tests/tags.yml | 2 + modules/nf-core/multiqc/environment.yml | 7 ++ modules/nf-core/multiqc/main.nf | 8 +- modules/nf-core/multiqc/meta.yml | 11 +- modules/nf-core/multiqc/tests/main.nf.test | 63 ++++++++++ modules/nf-core/multiqc/tests/tags.yml | 2 + nextflow.config | 12 +- 32 files changed, 360 insertions(+), 66 deletions(-) create mode 100644 modules/nf-core/custom/dumpsoftwareversions/environment.yml create mode 100644 modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test create mode 100644 modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap create mode 100644 modules/nf-core/custom/dumpsoftwareversions/tests/tags.yml create mode 100644 modules/nf-core/fastqc/environment.yml create mode 100644 modules/nf-core/fastqc/tests/main.nf.test create mode 100644 modules/nf-core/fastqc/tests/main.nf.test.snap create mode 100644 modules/nf-core/fastqc/tests/tags.yml create mode 100644 modules/nf-core/multiqc/environment.yml create mode 100644 modules/nf-core/multiqc/tests/main.nf.test create mode 100644 modules/nf-core/multiqc/tests/tags.yml diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index c71d079f..02f882b9 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -27,6 +27,9 @@ If you're not used to this workflow with git, you can start with some [docs from ## Tests +You can optionally test your changes by running the pipeline locally. Then it is recommended to use the `debug` profile to +receive warnings about process selectors and other debug info. Example: `nextflow run . -profile debug,test,docker --outdir `. + When you create a pull request with changes, [GitHub Actions](https://github.com/features/actions) will run automatic tests. Typically, pull-requests are only fully reviewed when these tests are passing, though of course we can help out before then. diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 1f6612e5..89778df2 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -19,6 +19,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/diff - [ ] If necessary, also make a PR on the nf-core/differentialabundance _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. - [ ] Make sure your code lints (`nf-core lint`). - [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir `). +- [ ] Check for unexpected warnings in debug mode (`nextflow run . -profile debug,test,docker --outdir `). - [ ] Usage Documentation in `docs/usage.md` is updated. - [ ] Output Documentation in `docs/output.md` is updated. - [ ] `CHANGELOG.md` is updated. diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index d7d5b040..ae422884 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -28,7 +28,7 @@ jobs: - "latest-everything" steps: - name: Check out pipeline code - uses: actions/checkout@v3 + uses: actions/checkout@v4 - name: Install Nextflow uses: nf-core/setup-nextflow@v1 diff --git a/.github/workflows/fix-linting.yml b/.github/workflows/fix-linting.yml index d43af448..3cef88c5 100644 --- a/.github/workflows/fix-linting.yml +++ b/.github/workflows/fix-linting.yml @@ -13,7 +13,7 @@ jobs: runs-on: ubuntu-latest steps: # Use the @nf-core-bot token to check out so we can push later - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 with: token: ${{ secrets.nf_core_bot_auth_token }} @@ -24,7 +24,7 @@ jobs: env: GITHUB_TOKEN: ${{ secrets.nf_core_bot_auth_token }} - - uses: actions/setup-node@v3 + - uses: actions/setup-node@v4 - name: Install Prettier run: npm install -g prettier @prettier/plugin-php diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index b8bdd214..905c58e4 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -14,9 +14,9 @@ jobs: EditorConfig: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 - - uses: actions/setup-node@v3 + - uses: actions/setup-node@v4 - name: Install editorconfig-checker run: npm install -g editorconfig-checker @@ -27,9 +27,9 @@ jobs: Prettier: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 - - uses: actions/setup-node@v3 + - uses: actions/setup-node@v4 - name: Install Prettier run: npm install -g prettier @@ -40,7 +40,7 @@ jobs: PythonBlack: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 - name: Check code lints with Black uses: psf/black@stable @@ -71,7 +71,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Check out pipeline code - uses: actions/checkout@v3 + uses: actions/checkout@v4 - name: Install Nextflow uses: nf-core/setup-nextflow@v1 diff --git a/.gitpod.yml b/.gitpod.yml index 25488dcc..acf72695 100644 --- a/.gitpod.yml +++ b/.gitpod.yml @@ -4,7 +4,9 @@ tasks: command: | pre-commit install --install-hooks nextflow self-update - + - name: unset JAVA_TOOL_OPTIONS + command: | + unset JAVA_TOOL_OPTIONS vscode: extensions: # based on nf-core.nf-core-extensionpack - codezombiech.gitignore # Language support for .gitignore files diff --git a/CHANGELOG.md b/CHANGELOG.md index c32864d2..ea1ed1ce 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v1.3.0dev - [date] +## v1.5.0dev - [date] Initial release of nf-core/differentialabundance, created with the [nf-core](https://nf-co.re/) template. diff --git a/README.md b/README.md index 5b580861..177ad1f5 100644 --- a/README.md +++ b/README.md @@ -30,11 +30,8 @@ ## Usage -:::note -If you are new to Nextflow and nf-core, please refer to [this page](https://nf-co.re/docs/usage/installation) on how -to set-up Nextflow. Make sure to [test your setup](https://nf-co.re/docs/usage/introduction#how-to-run-a-pipeline) -with `-profile test` before running the workflow on actual data. -::: +> [!NOTE] +> If you are new to Nextflow and nf-core, please refer to [this page](https://nf-co.re/docs/usage/installation) on how to set-up Nextflow. Make sure to [test your setup](https://nf-co.re/docs/usage/introduction#how-to-run-a-pipeline) with `-profile test` before running the workflow on actual data. - + diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index 211358cb..e443dce2 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,5 +1,5 @@ report_comment: > - This report has been generated by the nf-core/differentialabundance + This report has been generated by the nf-core/differentialabundance analysis pipeline. For information about how to interpret these results, please see the documentation. report_section_order: diff --git a/assets/slackreport.json b/assets/slackreport.json index 1e44b419..4be7003e 100644 --- a/assets/slackreport.json +++ b/assets/slackreport.json @@ -3,7 +3,7 @@ { "fallback": "Plain-text summary of the attachment.", "color": "<% if (success) { %>good<% } else { %>danger<%} %>", - "author_name": "nf-core/differentialabundance v${version} - ${runName}", + "author_name": "nf-core/differentialabundance ${version} - ${runName}", "author_icon": "https://www.nextflow.io/docs/latest/_static/favicon.ico", "text": "<% if (success) { %>Pipeline completed successfully!<% } else { %>Pipeline completed with errors<% } %>", "fields": [ diff --git a/conf/modules.config b/conf/modules.config index 39e81386..d91c6aba 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -39,7 +39,7 @@ process { } withName: 'MULTIQC' { - ext.args = params.multiqc_title ? "--title \"$params.multiqc_title\"" : '' + ext.args = { params.multiqc_title ? "--title \"$params.multiqc_title\"" : '' } publishDir = [ path: { "${params.outdir}/multiqc" }, mode: params.publish_dir_mode, diff --git a/docs/usage.md b/docs/usage.md index 37c73d42..37a94691 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -20,7 +20,7 @@ You will need to create a samplesheet with information about the samples you wou The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will concatenate the raw reads before performing any downstream analysis. Below is an example for the same sample sequenced across 3 lanes: -```console +```csv title="samplesheet.csv" sample,fastq_1,fastq_2 CONTROL_REP1,AEG588A1_S1_L002_R1_001.fastq.gz,AEG588A1_S1_L002_R2_001.fastq.gz CONTROL_REP1,AEG588A1_S1_L003_R1_001.fastq.gz,AEG588A1_S1_L003_R2_001.fastq.gz @@ -33,7 +33,7 @@ The pipeline will auto-detect whether a sample is single- or paired-end using th A final samplesheet file consisting of both single- and paired-end data may look something like the one below. This is for 6 samples, where `TREATMENT_REP3` has been sequenced twice. -```console +```csv title="samplesheet.csv" sample,fastq_1,fastq_2 CONTROL_REP1,AEG588A1_S1_L002_R1_001.fastq.gz,AEG588A1_S1_L002_R2_001.fastq.gz CONTROL_REP2,AEG588A2_S2_L002_R1_001.fastq.gz,AEG588A2_S2_L002_R2_001.fastq.gz diff --git a/lib/NfcoreTemplate.groovy b/lib/NfcoreTemplate.groovy index 01b8653d..e248e4c3 100755 --- a/lib/NfcoreTemplate.groovy +++ b/lib/NfcoreTemplate.groovy @@ -4,6 +4,7 @@ import org.yaml.snakeyaml.Yaml import groovy.json.JsonOutput +import nextflow.extension.FilesEx class NfcoreTemplate { @@ -141,12 +142,14 @@ class NfcoreTemplate { try { if (params.plaintext_email) { throw GroovyException('Send plaintext e-mail, not HTML') } // Try to send HTML e-mail using sendmail + def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") + sendmail_tf.withWriter { w -> w << sendmail_html } [ 'sendmail', '-t' ].execute() << sendmail_html log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (sendmail)-" } catch (all) { // Catch failures and try with plaintext def mail_cmd = [ 'mail', '-s', subject, '--content-type=text/html', email_address ] - if ( mqc_report.size() <= max_multiqc_email_size.toBytes() ) { + if ( mqc_report != null && mqc_report.size() <= max_multiqc_email_size.toBytes() ) { mail_cmd += [ '-A', mqc_report ] } mail_cmd.execute() << email_html @@ -155,14 +158,16 @@ class NfcoreTemplate { } // Write summary e-mail HTML to a file - def output_d = new File("${params.outdir}/pipeline_info/") - if (!output_d.exists()) { - output_d.mkdirs() - } - def output_hf = new File(output_d, "pipeline_report.html") + def output_hf = new File(workflow.launchDir.toString(), ".pipeline_report.html") output_hf.withWriter { w -> w << email_html } - def output_tf = new File(output_d, "pipeline_report.txt") + FilesEx.copyTo(output_hf.toPath(), "${params.outdir}/pipeline_info/pipeline_report.html"); + output_hf.delete() + + // Write summary e-mail TXT to a file + def output_tf = new File(workflow.launchDir.toString(), ".pipeline_report.txt") output_tf.withWriter { w -> w << email_txt } + FilesEx.copyTo(output_tf.toPath(), "${params.outdir}/pipeline_info/pipeline_report.txt"); + output_tf.delete() } // @@ -227,15 +232,14 @@ class NfcoreTemplate { // Dump pipeline parameters in a json file // public static void dump_parameters(workflow, params) { - def output_d = new File("${params.outdir}/pipeline_info/") - if (!output_d.exists()) { - output_d.mkdirs() - } - def timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') - def output_pf = new File(output_d, "params_${timestamp}.json") + def filename = "params_${timestamp}.json" + def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") def jsonStr = JsonOutput.toJson(params) - output_pf.text = JsonOutput.prettyPrint(jsonStr) + temp_pf.text = JsonOutput.prettyPrint(jsonStr) + + FilesEx.copyTo(temp_pf.toPath(), "${params.outdir}/pipeline_info/params_${timestamp}.json") + temp_pf.delete() } // diff --git a/modules.json b/modules.json index 8afd3fc5..98df6711 100644 --- a/modules.json +++ b/modules.json @@ -7,17 +7,17 @@ "nf-core": { "custom/dumpsoftwareversions": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "bba7e362e4afead70653f84d8700588ea28d0f9e", "installed_by": ["modules"] }, "fastqc": { "branch": "master", - "git_sha": "bd8092b67b5103bdd52e300f75889442275c3117", + "git_sha": "65ad3e0b9a4099592e1102e92e10455dc661cf53", "installed_by": ["modules"] }, "multiqc": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "4ab13872435962dadc239979554d13709e20bf29", "installed_by": ["modules"] } } diff --git a/modules/nf-core/custom/dumpsoftwareversions/environment.yml b/modules/nf-core/custom/dumpsoftwareversions/environment.yml new file mode 100644 index 00000000..f0c63f69 --- /dev/null +++ b/modules/nf-core/custom/dumpsoftwareversions/environment.yml @@ -0,0 +1,7 @@ +name: custom_dumpsoftwareversions +channels: + - conda-forge + - bioconda + - defaults +dependencies: + - bioconda::multiqc=1.17 diff --git a/modules/nf-core/custom/dumpsoftwareversions/main.nf b/modules/nf-core/custom/dumpsoftwareversions/main.nf index ebc87273..7685b33c 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/main.nf +++ b/modules/nf-core/custom/dumpsoftwareversions/main.nf @@ -2,10 +2,10 @@ process CUSTOM_DUMPSOFTWAREVERSIONS { label 'process_single' // Requires `pyyaml` which does not have a dedicated container but is in the MultiQC container - conda "bioconda::multiqc=1.14" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.14--pyhdfd78af_0' : - 'biocontainers/multiqc:1.14--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.17--pyhdfd78af_0' : + 'biocontainers/multiqc:1.17--pyhdfd78af_0' }" input: path versions diff --git a/modules/nf-core/custom/dumpsoftwareversions/meta.yml b/modules/nf-core/custom/dumpsoftwareversions/meta.yml index c32657de..5f15a5fd 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/meta.yml +++ b/modules/nf-core/custom/dumpsoftwareversions/meta.yml @@ -1,4 +1,4 @@ -# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/yaml-schema.json +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/meta-schema.json name: custom_dumpsoftwareversions description: Custom module used to dump software versions within the nf-core pipeline template keywords: @@ -16,7 +16,6 @@ input: type: file description: YML file containing software versions pattern: "*.yml" - output: - yml: type: file @@ -30,7 +29,9 @@ output: type: file description: File containing software versions pattern: "versions.yml" - authors: - "@drpatelh" - "@grst" +maintainers: + - "@drpatelh" + - "@grst" diff --git a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test new file mode 100644 index 00000000..eec1db10 --- /dev/null +++ b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test @@ -0,0 +1,38 @@ +nextflow_process { + + name "Test Process CUSTOM_DUMPSOFTWAREVERSIONS" + script "../main.nf" + process "CUSTOM_DUMPSOFTWAREVERSIONS" + tag "modules" + tag "modules_nfcore" + tag "custom" + tag "dumpsoftwareversions" + tag "custom/dumpsoftwareversions" + + test("Should run without failures") { + when { + process { + """ + def tool1_version = ''' + TOOL1: + tool1: 0.11.9 + '''.stripIndent() + + def tool2_version = ''' + TOOL2: + tool2: 1.9 + '''.stripIndent() + + input[0] = Channel.of(tool1_version, tool2_version).collectFile() + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } +} diff --git a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap new file mode 100644 index 00000000..4274ed57 --- /dev/null +++ b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap @@ -0,0 +1,27 @@ +{ + "Should run without failures": { + "content": [ + { + "0": [ + "software_versions.yml:md5,1c851188476409cda5752ce971b20b58" + ], + "1": [ + "software_versions_mqc.yml:md5,2570f4ba271ad08357b0d3d32a9cf84d" + ], + "2": [ + "versions.yml:md5,3843ac526e762117eedf8825b40683df" + ], + "mqc_yml": [ + "software_versions_mqc.yml:md5,2570f4ba271ad08357b0d3d32a9cf84d" + ], + "versions": [ + "versions.yml:md5,3843ac526e762117eedf8825b40683df" + ], + "yml": [ + "software_versions.yml:md5,1c851188476409cda5752ce971b20b58" + ] + } + ], + "timestamp": "2023-11-03T14:43:22.157011" + } +} diff --git a/modules/nf-core/custom/dumpsoftwareversions/tests/tags.yml b/modules/nf-core/custom/dumpsoftwareversions/tests/tags.yml new file mode 100644 index 00000000..405aa24a --- /dev/null +++ b/modules/nf-core/custom/dumpsoftwareversions/tests/tags.yml @@ -0,0 +1,2 @@ +custom/dumpsoftwareversions: + - modules/nf-core/custom/dumpsoftwareversions/** diff --git a/modules/nf-core/fastqc/environment.yml b/modules/nf-core/fastqc/environment.yml new file mode 100644 index 00000000..1787b38a --- /dev/null +++ b/modules/nf-core/fastqc/environment.yml @@ -0,0 +1,7 @@ +name: fastqc +channels: + - conda-forge + - bioconda + - defaults +dependencies: + - bioconda::fastqc=0.12.1 diff --git a/modules/nf-core/fastqc/main.nf b/modules/nf-core/fastqc/main.nf index 249f9064..9e19a74c 100644 --- a/modules/nf-core/fastqc/main.nf +++ b/modules/nf-core/fastqc/main.nf @@ -2,10 +2,10 @@ process FASTQC { tag "$meta.id" label 'process_medium' - conda "bioconda::fastqc=0.11.9" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/fastqc:0.11.9--0' : - 'biocontainers/fastqc:0.11.9--0' }" + 'https://depot.galaxyproject.org/singularity/fastqc:0.12.1--hdfd78af_0' : + 'biocontainers/fastqc:0.12.1--hdfd78af_0' }" input: tuple val(meta), path(reads) @@ -37,7 +37,7 @@ process FASTQC { cat <<-END_VERSIONS > versions.yml "${task.process}": - fastqc: \$( fastqc --version | sed -e "s/FastQC v//g" ) + fastqc: \$( fastqc --version | sed '/FastQC v/!d; s/.*v//' ) END_VERSIONS """ @@ -49,7 +49,7 @@ process FASTQC { cat <<-END_VERSIONS > versions.yml "${task.process}": - fastqc: \$( fastqc --version | sed -e "s/FastQC v//g" ) + fastqc: \$( fastqc --version | sed '/FastQC v/!d; s/.*v//' ) END_VERSIONS """ } diff --git a/modules/nf-core/fastqc/meta.yml b/modules/nf-core/fastqc/meta.yml index 4da5bb5a..ee5507e0 100644 --- a/modules/nf-core/fastqc/meta.yml +++ b/modules/nf-core/fastqc/meta.yml @@ -50,3 +50,8 @@ authors: - "@grst" - "@ewels" - "@FelixKrueger" +maintainers: + - "@drpatelh" + - "@grst" + - "@ewels" + - "@FelixKrueger" diff --git a/modules/nf-core/fastqc/tests/main.nf.test b/modules/nf-core/fastqc/tests/main.nf.test new file mode 100644 index 00000000..b9e8f926 --- /dev/null +++ b/modules/nf-core/fastqc/tests/main.nf.test @@ -0,0 +1,109 @@ +nextflow_process { + + name "Test Process FASTQC" + script "../main.nf" + process "FASTQC" + tag "modules" + tag "modules_nfcore" + tag "fastqc" + + test("Single-Read") { + + when { + params { + outdir = "$outputDir" + } + process { + """ + input[0] = [ + [ id: 'test', single_end:true ], + [ + file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz'], checkIfExists: true) + ] + ] + """ + } + } + + then { + assertAll ( + { assert process.success }, + // NOTE The report contains the date inside it, which means that the md5sum is stable per day, but not longer than that. So you can't md5sum it. + // looks like this:
Mon 2 Oct 2023
test.gz
+ // https://github.com/nf-core/modules/pull/3903#issuecomment-1743620039 + { assert process.out.html.get(0).get(1) ==~ ".*/test_fastqc.html" }, + { assert path(process.out.html.get(0).get(1)).getText().contains("File typeConventional base calls") }, + { assert snapshot(process.out.versions).match("versions") }, + { assert process.out.zip.get(0).get(1) ==~ ".*/test_fastqc.zip" } + ) + } + } +// TODO +// // +// // Test with paired-end data +// // +// workflow test_fastqc_paired_end { +// input = [ +// [id: 'test', single_end: false], // meta map +// [ +// file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz'], checkIfExists: true), +// file(params.test_data['sarscov2']['illumina']['test_2_fastq_gz'], checkIfExists: true) +// ] +// ] + +// FASTQC ( input ) +// } + +// // +// // Test with interleaved data +// // +// workflow test_fastqc_interleaved { +// input = [ +// [id: 'test', single_end: false], // meta map +// file(params.test_data['sarscov2']['illumina']['test_interleaved_fastq_gz'], checkIfExists: true) +// ] + +// FASTQC ( input ) +// } + +// // +// // Test with bam data +// // +// workflow test_fastqc_bam { +// input = [ +// [id: 'test', single_end: false], // meta map +// file(params.test_data['sarscov2']['illumina']['test_paired_end_sorted_bam'], checkIfExists: true) +// ] + +// FASTQC ( input ) +// } + +// // +// // Test with multiple samples +// // +// workflow test_fastqc_multiple { +// input = [ +// [id: 'test', single_end: false], // meta map +// [ +// file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz'], checkIfExists: true), +// file(params.test_data['sarscov2']['illumina']['test_2_fastq_gz'], checkIfExists: true), +// file(params.test_data['sarscov2']['illumina']['test2_1_fastq_gz'], checkIfExists: true), +// file(params.test_data['sarscov2']['illumina']['test2_2_fastq_gz'], checkIfExists: true) +// ] +// ] + +// FASTQC ( input ) +// } + +// // +// // Test with custom prefix +// // +// workflow test_fastqc_custom_prefix { +// input = [ +// [ id:'mysample', single_end:true ], // meta map +// file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz'], checkIfExists: true) +// ] + +// FASTQC ( input ) +// } +} diff --git a/modules/nf-core/fastqc/tests/main.nf.test.snap b/modules/nf-core/fastqc/tests/main.nf.test.snap new file mode 100644 index 00000000..636a32ce --- /dev/null +++ b/modules/nf-core/fastqc/tests/main.nf.test.snap @@ -0,0 +1,10 @@ +{ + "versions": { + "content": [ + [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ] + ], + "timestamp": "2023-10-09T23:40:54+0000" + } +} \ No newline at end of file diff --git a/modules/nf-core/fastqc/tests/tags.yml b/modules/nf-core/fastqc/tests/tags.yml new file mode 100644 index 00000000..7834294b --- /dev/null +++ b/modules/nf-core/fastqc/tests/tags.yml @@ -0,0 +1,2 @@ +fastqc: + - modules/nf-core/fastqc/** diff --git a/modules/nf-core/multiqc/environment.yml b/modules/nf-core/multiqc/environment.yml new file mode 100644 index 00000000..bc0bdb5b --- /dev/null +++ b/modules/nf-core/multiqc/environment.yml @@ -0,0 +1,7 @@ +name: multiqc +channels: + - conda-forge + - bioconda + - defaults +dependencies: + - bioconda::multiqc=1.18 diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 1fc387be..00cc48d2 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -1,10 +1,10 @@ process MULTIQC { label 'process_single' - conda "bioconda::multiqc=1.14" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.14--pyhdfd78af_0' : - 'biocontainers/multiqc:1.14--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.18--pyhdfd78af_0' : + 'biocontainers/multiqc:1.18--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" @@ -25,12 +25,14 @@ process MULTIQC { def args = task.ext.args ?: '' def config = multiqc_config ? "--config $multiqc_config" : '' def extra_config = extra_multiqc_config ? "--config $extra_multiqc_config" : '' + def logo = multiqc_logo ? /--cl-config 'custom_logo: "${multiqc_logo}"'/ : '' """ multiqc \\ --force \\ $args \\ $config \\ $extra_config \\ + $logo \\ . cat <<-END_VERSIONS > versions.yml diff --git a/modules/nf-core/multiqc/meta.yml b/modules/nf-core/multiqc/meta.yml index f93b5ee5..f1aa660e 100644 --- a/modules/nf-core/multiqc/meta.yml +++ b/modules/nf-core/multiqc/meta.yml @@ -1,5 +1,5 @@ -# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/yaml-schema.json -name: MultiQC +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/meta-schema.json +name: multiqc description: Aggregate results from bioinformatics analyses across many samples into a single report keywords: - QC @@ -13,7 +13,6 @@ tools: homepage: https://multiqc.info/ documentation: https://multiqc.info/docs/ licence: ["GPL-3.0-or-later"] - input: - multiqc_files: type: file @@ -31,7 +30,6 @@ input: type: file description: Optional logo file for MultiQC pattern: "*.{png}" - output: - report: type: file @@ -54,3 +52,8 @@ authors: - "@bunop" - "@drpatelh" - "@jfy133" +maintainers: + - "@abhi18av" + - "@bunop" + - "@drpatelh" + - "@jfy133" diff --git a/modules/nf-core/multiqc/tests/main.nf.test b/modules/nf-core/multiqc/tests/main.nf.test new file mode 100644 index 00000000..c2dad217 --- /dev/null +++ b/modules/nf-core/multiqc/tests/main.nf.test @@ -0,0 +1,63 @@ +nextflow_process { + + name "Test Process MULTIQC" + script "../main.nf" + process "MULTIQC" + tag "modules" + tag "modules_nfcore" + tag "multiqc" + + test("MULTIQC: FASTQC") { + + when { + params { + outdir = "$outputDir" + } + process { + """ + input[0] = Channel.of([file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz_fastqc_zip'], checkIfExists: true)]) + input[1] = [] + input[2] = [] + input[3] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert path(process.out.report.get(0)).exists() }, + { assert path(process.out.data.get(0)).exists() }, + { assert path(process.out.versions.get(0)).getText().contains("multiqc") } + ) + } + + } + + test("MULTIQC: FASTQC and a config file") { + + when { + params { + outdir = "$outputDir" + } + process { + """ + input[0] = Channel.of([file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz_fastqc_zip'], checkIfExists: true)]) + input[1] = Channel.of(file("https://github.com/nf-core/tools/raw/dev/nf_core/pipeline-template/assets/multiqc_config.yml", checkIfExists: true)) + input[2] = [] + input[3] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert path(process.out.report.get(0)).exists() }, + { assert path(process.out.data.get(0)).exists() }, + { assert path(process.out.versions.get(0)).getText().contains("multiqc") } + ) + } + + } +} diff --git a/modules/nf-core/multiqc/tests/tags.yml b/modules/nf-core/multiqc/tests/tags.yml new file mode 100644 index 00000000..bea6c0d3 --- /dev/null +++ b/modules/nf-core/multiqc/tests/tags.yml @@ -0,0 +1,2 @@ +multiqc: + - modules/nf-core/multiqc/** diff --git a/nextflow.config b/nextflow.config index c9792473..f2d1400c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -14,7 +14,7 @@ params { input = null // References genome = null - igenomes_base = 's3://ngi-igenomes/igenomes' + igenomes_base = 's3://ngi-igenomes/igenomes/' igenomes_ignore = false @@ -82,6 +82,7 @@ profiles { dumpHashes = true process.beforeScript = 'echo $HOSTNAME' cleanup = false + nextflow.enable.configProcessNamesValidation = true } conda { conda.enabled = true @@ -104,13 +105,13 @@ profiles { } docker { docker.enabled = true - docker.userEmulation = true conda.enabled = false singularity.enabled = false podman.enabled = false shifter.enabled = false charliecloud.enabled = false apptainer.enabled = false + runOptions = '-u $(id -u):$(id -g)' } arm { docker.runOptions = '-u $(id -u):$(id -g) --platform=linux/amd64' @@ -181,7 +182,7 @@ singularity.registry = 'quay.io' // Nextflow plugins plugins { - id 'nf-validation' // Validation of pipeline parameters and creation of an input channel from a sample sheet + id 'nf-validation@1.1.3' // Validation of pipeline parameters and creation of an input channel from a sample sheet } // Load igenomes.config if required @@ -204,6 +205,9 @@ env { // Capture exit codes from upstream processes when piping process.shell = ['/bin/bash', '-euo', 'pipefail'] +// Disable process selector warnings by default. Use debug profile to enable warnings. +nextflow.enable.configProcessNamesValidation = false + def trace_timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') timeline { enabled = true @@ -229,7 +233,7 @@ manifest { description = """Differential abundance analysis""" mainScript = 'main.nf' nextflowVersion = '!>=23.04.0' - version = '1.3.0dev' + version = '1.5.0dev' doi = '' } From e1cc292dff750a0f008a55df9fba2c739b892418 Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Wed, 20 Dec 2023 07:59:05 +0100 Subject: [PATCH 053/168] Update workflows/differentialabundance.nf Co-authored-by: Jonathan Manning --- workflows/differentialabundance.nf | 10 ++-------- 1 file changed, 2 insertions(+), 8 deletions(-) diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 961d0d19..c416cf12 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -493,17 +493,11 @@ workflow DIFFERENTIALABUNDANCE { ch_background = Channel.from(file(params.gprofiler2_background_file, checkIfExists: true)) } - if (params.gprofiler2_token || params.gprofiler2_organism) { - // For gprofiler2, token and organism have priority and will override a gene_sets file - ch_gprofiler_gene_sets = [] - } else { - ch_gprofiler_gene_sets = ch_gene_sets.toList() - .map{it -> it.size() > 1 ? error("gprofiler2 currently only accepts a single gene sets file!") : it.first()} - } + // For gprofiler2, token and organism have priority and will override a gene_sets file GPROFILER2_GOST( ch_filtered_diff, - ch_gprofiler_gene_sets, + ch_gene_sets, ch_background ) } From fe404cc8bada5faaa388551f78894919dc1e66e1 Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Wed, 20 Dec 2023 08:00:54 +0100 Subject: [PATCH 054/168] Update docs/usage.md Co-authored-by: Jonathan Manning --- docs/usage.md | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index b4df4ebf..05e43c11 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -291,7 +291,11 @@ The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gp --gprofiler2_organism mmusculus ``` -Either a `--gprofiler2_token` from a previous g:profiler run, the `--gprofiler2_organism` (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) or a custom `--gene_sets_files` GMT file is required; if multiple options are provided, will prioritize token, then organism, then GMT file. Check the [pipeline webpage](https://nf-co.re/differentialabundance/1.2.0/parameters#gprofiler2) for the parameters for this step. Also, by default the analysis will be run with a background list of genes that passed the abundance filter (i.e. those genes that actually had some expression); see for example https://doi.org/10.1186/s13059-015-0761-7 for why this is advisable. You can provide your own background list with `--gprofiler2_background_file background.txt`; alternatively, if you want to not use any background, set this: `--gprofiler2_background_file false`. +If gene sets have been specified to the workflow via `--gene_sets_files` these are used by default. Specifying `--gprofiler2_organism` (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) will override those gene sets with g:profiler's own for the relevant species. `--gprofiler2_token` will override both options and use gene sets from a previous g:profiler run. + +By default the analysis will be run with a background list of genes that passed the abundance filter (i.e. those genes that actually had some expression); see for example https://doi.org/10.1186/s13059-015-0761-7 for why this is advisable. You can provide your own background list with `--gprofiler2_background_file background.txt`or if you want to not use any background, set `--gprofiler2_background_file false`. + +Check the [pipeline webpage](https://nf-co.re/differentialabundance/parameters#gprofiler2) for a full listing of the relevant parameters. ## Running the pipeline From d4b637041c715bb9b9b28f6d04e617bece75f703 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Dec 2023 08:40:59 +0100 Subject: [PATCH 055/168] Added .first() to gene sets for gprofiler, made error message more specific --- workflows/differentialabundance.nf | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index c416cf12..8cb7b40a 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -76,6 +76,9 @@ if (run_gene_set_analysis) { if (params.gene_sets_files) { gene_sets_files = params.gene_sets_files.split(",") ch_gene_sets = Channel.of(gene_sets_files).map { file(it, checkIfExists: true) } + if (params.gprofiler2_run && (!params.gprofiler2_token && !params.gprofiler2_organism) && gene_sets_files.size() > 1) { + error("gprofiler2 can currently only work with a single gene set file") + } } else if (params.gsea_run) { error("GSEA activated but gene set file not specified!") } else if (params.gprofiler2_run) { @@ -497,7 +500,7 @@ workflow DIFFERENTIALABUNDANCE { GPROFILER2_GOST( ch_filtered_diff, - ch_gene_sets, + ch_gene_sets.first(), ch_background ) } From 2273996e30fe57e8cf1763494da3326d42e3afde Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Dec 2023 08:43:27 +0100 Subject: [PATCH 056/168] prettier --- docs/usage.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/usage.md b/docs/usage.md index 05e43c11..3f9ca78b 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -291,11 +291,11 @@ The [gprofiler2](https://cran.r-project.org/web/packages/gprofiler2/vignettes/gp --gprofiler2_organism mmusculus ``` -If gene sets have been specified to the workflow via `--gene_sets_files` these are used by default. Specifying `--gprofiler2_organism` (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) will override those gene sets with g:profiler's own for the relevant species. `--gprofiler2_token` will override both options and use gene sets from a previous g:profiler run. +If gene sets have been specified to the workflow via `--gene_sets_files` these are used by default. Specifying `--gprofiler2_organism` (mmusculus for Mus musculus, hsapiens for Homo sapiens etc.) will override those gene sets with g:profiler's own for the relevant species. `--gprofiler2_token` will override both options and use gene sets from a previous g:profiler run. By default the analysis will be run with a background list of genes that passed the abundance filter (i.e. those genes that actually had some expression); see for example https://doi.org/10.1186/s13059-015-0761-7 for why this is advisable. You can provide your own background list with `--gprofiler2_background_file background.txt`or if you want to not use any background, set `--gprofiler2_background_file false`. -Check the [pipeline webpage](https://nf-co.re/differentialabundance/parameters#gprofiler2) for a full listing of the relevant parameters. +Check the [pipeline webpage](https://nf-co.re/differentialabundance/parameters#gprofiler2) for a full listing of the relevant parameters. ## Running the pipeline From 4ec05c19e46839af36c0e8df98ddaf5de63f082c Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Dec 2023 13:22:28 +0100 Subject: [PATCH 057/168] lint --- modules.json | 82 ++++++++++++++++++++++++++++++++++++++-------------- 1 file changed, 61 insertions(+), 21 deletions(-) diff --git a/modules.json b/modules.json index 91142599..008d7304 100644 --- a/modules.json +++ b/modules.json @@ -8,102 +8,142 @@ "affy/justrma": { "branch": "master", "git_sha": "02a65e8871e06bac203dec16985fa3de648c99b6", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "atlasgeneannotationmanipulation/gtf2featureannotation": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "custom/dumpsoftwareversions": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "custom/matrixfilter": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "custom/tabulartogseacls": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "custom/tabulartogseagct": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "deseq2/differential": { "branch": "master", "git_sha": "9326d73af3fbe2ee90d9ce0a737461a727c5118e", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "geoquery/getgeo": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "gprofiler2/gost": { "branch": "master", "git_sha": "c75e76bff35e2ee5305ebe89b513637b38e79d1d", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "gsea/gsea": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "gunzip": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "limma/differential": { "branch": "master", "git_sha": "9326d73af3fbe2ee90d9ce0a737461a727c5118e", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "proteus/readproteingroups": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "rmarkdownnotebook": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "shinyngs/app": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "shinyngs/staticdifferential": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "shinyngs/staticexploratory": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "shinyngs/validatefomcomponents": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "untar": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "zip": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] } } }, @@ -112,4 +152,4 @@ } } } -} +} \ No newline at end of file From 18f5f44bfbba7c0adaa30505c95419a3f8f3ae84 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Dec 2023 13:28:43 +0100 Subject: [PATCH 058/168] Linting --- .github/CONTRIBUTING.md | 3 +++ .github/PULL_REQUEST_TEMPLATE.md | 1 + .github/workflows/linting.yml | 12 ++++++------ assets/multiqc_config.yml | 4 +--- lib/NfcoreTemplate.groovy | 32 ++++++++++++++++++-------------- 5 files changed, 29 insertions(+), 23 deletions(-) diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index c71d079f..02f882b9 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -27,6 +27,9 @@ If you're not used to this workflow with git, you can start with some [docs from ## Tests +You can optionally test your changes by running the pipeline locally. Then it is recommended to use the `debug` profile to +receive warnings about process selectors and other debug info. Example: `nextflow run . -profile debug,test,docker --outdir `. + When you create a pull request with changes, [GitHub Actions](https://github.com/features/actions) will run automatic tests. Typically, pull-requests are only fully reviewed when these tests are passing, though of course we can help out before then. diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 1f6612e5..89778df2 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -19,6 +19,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/diff - [ ] If necessary, also make a PR on the nf-core/differentialabundance _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. - [ ] Make sure your code lints (`nf-core lint`). - [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir `). +- [ ] Check for unexpected warnings in debug mode (`nextflow run . -profile debug,test,docker --outdir `). - [ ] Usage Documentation in `docs/usage.md` is updated. - [ ] Output Documentation in `docs/output.md` is updated. - [ ] `CHANGELOG.md` is updated. diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index b8bdd214..905c58e4 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -14,9 +14,9 @@ jobs: EditorConfig: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 - - uses: actions/setup-node@v3 + - uses: actions/setup-node@v4 - name: Install editorconfig-checker run: npm install -g editorconfig-checker @@ -27,9 +27,9 @@ jobs: Prettier: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 - - uses: actions/setup-node@v3 + - uses: actions/setup-node@v4 - name: Install Prettier run: npm install -g prettier @@ -40,7 +40,7 @@ jobs: PythonBlack: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 - name: Check code lints with Black uses: psf/black@stable @@ -71,7 +71,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Check out pipeline code - uses: actions/checkout@v3 + uses: actions/checkout@v4 - name: Install Nextflow uses: nf-core/setup-nextflow@v1 diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index 211358cb..01cf0dc5 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,7 +1,5 @@ report_comment: > - This report has been generated by the nf-core/differentialabundance - analysis pipeline. For information about how to interpret these results, please see the - documentation. + This report has been generated by the nf-core/differentialabundance analysis pipeline. For information about how to interpret these results, please see the documentation. report_section_order: "nf-core-differentialabundance-methods-description": order: -1000 diff --git a/lib/NfcoreTemplate.groovy b/lib/NfcoreTemplate.groovy index 01b8653d..e248e4c3 100755 --- a/lib/NfcoreTemplate.groovy +++ b/lib/NfcoreTemplate.groovy @@ -4,6 +4,7 @@ import org.yaml.snakeyaml.Yaml import groovy.json.JsonOutput +import nextflow.extension.FilesEx class NfcoreTemplate { @@ -141,12 +142,14 @@ class NfcoreTemplate { try { if (params.plaintext_email) { throw GroovyException('Send plaintext e-mail, not HTML') } // Try to send HTML e-mail using sendmail + def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") + sendmail_tf.withWriter { w -> w << sendmail_html } [ 'sendmail', '-t' ].execute() << sendmail_html log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (sendmail)-" } catch (all) { // Catch failures and try with plaintext def mail_cmd = [ 'mail', '-s', subject, '--content-type=text/html', email_address ] - if ( mqc_report.size() <= max_multiqc_email_size.toBytes() ) { + if ( mqc_report != null && mqc_report.size() <= max_multiqc_email_size.toBytes() ) { mail_cmd += [ '-A', mqc_report ] } mail_cmd.execute() << email_html @@ -155,14 +158,16 @@ class NfcoreTemplate { } // Write summary e-mail HTML to a file - def output_d = new File("${params.outdir}/pipeline_info/") - if (!output_d.exists()) { - output_d.mkdirs() - } - def output_hf = new File(output_d, "pipeline_report.html") + def output_hf = new File(workflow.launchDir.toString(), ".pipeline_report.html") output_hf.withWriter { w -> w << email_html } - def output_tf = new File(output_d, "pipeline_report.txt") + FilesEx.copyTo(output_hf.toPath(), "${params.outdir}/pipeline_info/pipeline_report.html"); + output_hf.delete() + + // Write summary e-mail TXT to a file + def output_tf = new File(workflow.launchDir.toString(), ".pipeline_report.txt") output_tf.withWriter { w -> w << email_txt } + FilesEx.copyTo(output_tf.toPath(), "${params.outdir}/pipeline_info/pipeline_report.txt"); + output_tf.delete() } // @@ -227,15 +232,14 @@ class NfcoreTemplate { // Dump pipeline parameters in a json file // public static void dump_parameters(workflow, params) { - def output_d = new File("${params.outdir}/pipeline_info/") - if (!output_d.exists()) { - output_d.mkdirs() - } - def timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') - def output_pf = new File(output_d, "params_${timestamp}.json") + def filename = "params_${timestamp}.json" + def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") def jsonStr = JsonOutput.toJson(params) - output_pf.text = JsonOutput.prettyPrint(jsonStr) + temp_pf.text = JsonOutput.prettyPrint(jsonStr) + + FilesEx.copyTo(temp_pf.toPath(), "${params.outdir}/pipeline_info/params_${timestamp}.json") + temp_pf.delete() } // From 68d203f9ba3b45025d377d3f98835686d1e86fa3 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Dec 2023 13:35:04 +0100 Subject: [PATCH 059/168] prettier --- modules.json | 82 ++++++++++++++-------------------------------------- 1 file changed, 21 insertions(+), 61 deletions(-) diff --git a/modules.json b/modules.json index 008d7304..91142599 100644 --- a/modules.json +++ b/modules.json @@ -8,142 +8,102 @@ "affy/justrma": { "branch": "master", "git_sha": "02a65e8871e06bac203dec16985fa3de648c99b6", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "atlasgeneannotationmanipulation/gtf2featureannotation": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "custom/dumpsoftwareversions": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "custom/matrixfilter": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "custom/tabulartogseacls": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "custom/tabulartogseagct": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "deseq2/differential": { "branch": "master", "git_sha": "9326d73af3fbe2ee90d9ce0a737461a727c5118e", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "geoquery/getgeo": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "gprofiler2/gost": { "branch": "master", "git_sha": "c75e76bff35e2ee5305ebe89b513637b38e79d1d", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "gsea/gsea": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "gunzip": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "limma/differential": { "branch": "master", "git_sha": "9326d73af3fbe2ee90d9ce0a737461a727c5118e", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "proteus/readproteingroups": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "rmarkdownnotebook": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "shinyngs/app": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "shinyngs/staticdifferential": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "shinyngs/staticexploratory": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "shinyngs/validatefomcomponents": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "untar": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "zip": { "branch": "master", "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] } } }, @@ -152,4 +112,4 @@ } } } -} \ No newline at end of file +} From f1d407f38b1d480402f82bc3b04e78c671c0932d Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Wed, 20 Dec 2023 15:57:04 +0000 Subject: [PATCH 060/168] Template update for nf-core/tools version 2.11.1 --- .../{release-announcments.yml => release-announcements.yml} | 0 nextflow.config | 4 ++-- 2 files changed, 2 insertions(+), 2 deletions(-) rename .github/workflows/{release-announcments.yml => release-announcements.yml} (100%) diff --git a/.github/workflows/release-announcments.yml b/.github/workflows/release-announcements.yml similarity index 100% rename from .github/workflows/release-announcments.yml rename to .github/workflows/release-announcements.yml diff --git a/nextflow.config b/nextflow.config index f2d1400c..c5c5aebb 100644 --- a/nextflow.config +++ b/nextflow.config @@ -111,10 +111,10 @@ profiles { shifter.enabled = false charliecloud.enabled = false apptainer.enabled = false - runOptions = '-u $(id -u):$(id -g)' + docker.runOptions = '-u $(id -u):$(id -g)' } arm { - docker.runOptions = '-u $(id -u):$(id -g) --platform=linux/amd64' + docker.runOptions = '-u $(id -u):$(id -g) --platform=linux/amd64' } singularity { singularity.enabled = true From 82c96b03bafa3f544aa1fa93afaa6b00843ad969 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 21 Dec 2023 11:25:39 +0100 Subject: [PATCH 061/168] Undid some unnecessary changes --- assets/differentialabundance_report.Rmd | 9 --------- conf/modules.config | 6 ------ 2 files changed, 15 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 32a53b20..0372852d 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -344,8 +344,6 @@ treatment-mCherry-hND6-batcheffect.deseq2.results.tsv ... where variable, reference, target and blocking come from the contrasts file (with blocking being optional) and the suffix is defined in parameters. - -Also save the tables again after filtering for DE entries --> ```{r, echo=FALSE} @@ -377,13 +375,6 @@ differential_results <- lapply(differential_files, function(diff_file){ if (! is.null(params$features)){ diff <- merge(features, diff, by.x = params$features_id_col, by.y = params$differential_feature_id_column) } - - # Filter tables by logFC threshold and padj threshold and save to TSV - - filtered_diff <- na.omit(diff[log2(params$differential_min_fold_change) <= abs(diff[[params$differential_fc_column]]) & diff[[params$differential_qval_column]] <= params$differential_max_qval,]) - filtered_diff <- round_dataframe_columns() - write.table(filtered_diff, file=file.path(params$artifact_dir, paste0(basename(tools::file_path_sans_ext(diff_file)), "_filtered.tsv")), sep="\t", quote=F, row.names=F) - diff }) names(differential_results) <- contrasts$id diff --git a/conf/modules.config b/conf/modules.config index c709658e..bf6e90cb 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -449,12 +449,6 @@ process { path: { "${params.outdir}/report" }, mode: params.publish_dir_mode, pattern: '*.html' - ], - [ - path: { "${params.outdir}/" }, - mode: params.publish_dir_mode, - pattern: 'artifacts/*_filtered.tsv', - saveAs: { filename -> "tables/de_tables2/${filename.split("\\.", 2)[1]}" } ] ] } From 3a12411d1d73c4e1369d9ca4a852f51f6225b9f3 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 21 Dec 2023 11:52:10 +0100 Subject: [PATCH 062/168] reinstalled matrixfilter to fix linting --- modules.json | 2 +- modules/nf-core/custom/matrixfilter/environment.yml | 1 + modules/nf-core/custom/matrixfilter/main.nf | 2 +- modules/nf-core/custom/matrixfilter/templates/matrixfilter.R | 2 +- 4 files changed, 4 insertions(+), 3 deletions(-) diff --git a/modules.json b/modules.json index 32089fb4..d314ec70 100644 --- a/modules.json +++ b/modules.json @@ -22,7 +22,7 @@ }, "custom/matrixfilter": { "branch": "master", - "git_sha": "65ad3e0b9a4099592e1102e92e10455dc661cf53", + "git_sha": "0ed73182b77383134387509ebfde7071bd65b3ea", "installed_by": ["modules"] }, "custom/tabulartogseacls": { diff --git a/modules/nf-core/custom/matrixfilter/environment.yml b/modules/nf-core/custom/matrixfilter/environment.yml index 383c136b..322c673e 100644 --- a/modules/nf-core/custom/matrixfilter/environment.yml +++ b/modules/nf-core/custom/matrixfilter/environment.yml @@ -1,3 +1,4 @@ +name: custom_matrixfilter channels: - conda-forge - bioconda diff --git a/modules/nf-core/custom/matrixfilter/main.nf b/modules/nf-core/custom/matrixfilter/main.nf index db603c43..c31a45be 100644 --- a/modules/nf-core/custom/matrixfilter/main.nf +++ b/modules/nf-core/custom/matrixfilter/main.nf @@ -1,7 +1,7 @@ process CUSTOM_MATRIXFILTER { tag "$meta" label 'process_single' - conda 'modules/nf-core/custom/matrixfilter/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/r-base:4.2.1' : 'biocontainers/r-base:4.2.1' }" diff --git a/modules/nf-core/custom/matrixfilter/templates/matrixfilter.R b/modules/nf-core/custom/matrixfilter/templates/matrixfilter.R index 0bfff8cc..331f1a06 100644 --- a/modules/nf-core/custom/matrixfilter/templates/matrixfilter.R +++ b/modules/nf-core/custom/matrixfilter/templates/matrixfilter.R @@ -166,7 +166,7 @@ if (is.null(opt\$minimum_samples_not_na)) { # Define the tests tests <- list( - 'abundance' = function(x) sum(x > opt\$minimum_abundance, na.rm = T) >= opt\$minimum_samples, # check if rows have sufficiently high abundance + 'abundance' = function(x) sum(x >= opt\$minimum_abundance, na.rm = T) >= opt\$minimum_samples, # check if rows have sufficiently high abundance 'na' = function(x) !any(is.na(x)) || sum(!is.na(x)) >= opt\$minimum_samples_not_na # check if enough values in row are not NA ) From f0f04112ea57227548d6944f106979f0e43aaab8 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Thu, 21 Dec 2023 11:32:57 +0000 Subject: [PATCH 063/168] Update assets/multiqc_config.yml --- assets/multiqc_config.yml | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index e443dce2..4d995a20 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,7 +1,5 @@ report_comment: > - This report has been generated by the nf-core/differentialabundance - analysis pipeline. For information about how to interpret these results, please see the - documentation. + This report has been generated by the nf-core/differentialabundance analysis pipeline. For information about how to interpret these results, please see the documentation. report_section_order: "nf-core-differentialabundance-methods-description": order: -1000 From 86b933bba9a893765f8148e17edaa8ff117829af Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 21 Dec 2023 13:26:27 +0100 Subject: [PATCH 064/168] prettier --- assets/multiqc_config.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index 4d995a20..01cf0dc5 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,5 +1,5 @@ report_comment: > - This report has been generated by the nf-core/differentialabundance analysis pipeline. For information about how to interpret these results, please see the documentation. + This report has been generated by the nf-core/differentialabundance analysis pipeline. For information about how to interpret these results, please see the documentation. report_section_order: "nf-core-differentialabundance-methods-description": order: -1000 From da334d75c763b998cea6d3bce5d4bb1e43f381c7 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 21 Dec 2023 13:29:24 +0100 Subject: [PATCH 065/168] Updated changelog --- CHANGELOG.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index cd43b2f6..e39968da 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#219](https://github.com/nf-core/differentialabundance/pull/219)] - Template update for nf-core/tools v2.11.1 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) + ### `Fixed` - [[#213](https://github.com/nf-core/differentialabundance/pull/213)] - Fix volcano plot legend ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) From a2549612c74de2344cba59dc733fa2f69cec14cc Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Mon, 8 Jan 2024 09:07:31 +0000 Subject: [PATCH 066/168] Update shinyngs modules to address density plots issue --- modules.json | 8 ++++---- modules/nf-core/shinyngs/app/environment.yml | 3 ++- modules/nf-core/shinyngs/app/main.nf | 6 +++--- modules/nf-core/shinyngs/app/meta.yml | 2 +- .../nf-core/shinyngs/staticdifferential/environment.yml | 3 ++- modules/nf-core/shinyngs/staticdifferential/main.nf | 6 +++--- modules/nf-core/shinyngs/staticdifferential/meta.yml | 2 +- .../nf-core/shinyngs/staticexploratory/environment.yml | 3 ++- modules/nf-core/shinyngs/staticexploratory/main.nf | 6 +++--- modules/nf-core/shinyngs/staticexploratory/meta.yml | 2 +- .../shinyngs/validatefomcomponents/environment.yml | 3 ++- modules/nf-core/shinyngs/validatefomcomponents/main.nf | 6 +++--- modules/nf-core/shinyngs/validatefomcomponents/meta.yml | 2 +- 13 files changed, 28 insertions(+), 24 deletions(-) diff --git a/modules.json b/modules.json index d314ec70..57afe293 100644 --- a/modules.json +++ b/modules.json @@ -77,22 +77,22 @@ }, "shinyngs/app": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", "installed_by": ["modules"] }, "shinyngs/staticdifferential": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", "installed_by": ["modules"] }, "shinyngs/staticexploratory": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", "installed_by": ["modules"] }, "shinyngs/validatefomcomponents": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", "installed_by": ["modules"] }, "untar": { diff --git a/modules/nf-core/shinyngs/app/environment.yml b/modules/nf-core/shinyngs/app/environment.yml index 3bf455c0..9d051f47 100644 --- a/modules/nf-core/shinyngs/app/environment.yml +++ b/modules/nf-core/shinyngs/app/environment.yml @@ -1,6 +1,7 @@ +name: shinyngs_app channels: - conda-forge - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.4 + - bioconda::r-shinyngs=1.8.5 diff --git a/modules/nf-core/shinyngs/app/main.nf b/modules/nf-core/shinyngs/app/main.nf index d3ce2ffa..3a023aa1 100644 --- a/modules/nf-core/shinyngs/app/main.nf +++ b/modules/nf-core/shinyngs/app/main.nf @@ -13,10 +13,10 @@ process SHINYNGS_APP { // // Those values must then be set in your Nextflow secrets. - conda 'modules/nf-core/shinyngs/app/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.4--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.4--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.5--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.5--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(feature_meta), path(assay_files) // Experiment-level info diff --git a/modules/nf-core/shinyngs/app/meta.yml b/modules/nf-core/shinyngs/app/meta.yml index e6ce81f8..8ff58e95 100644 --- a/modules/nf-core/shinyngs/app/meta.yml +++ b/modules/nf-core/shinyngs/app/meta.yml @@ -11,7 +11,7 @@ tools: homepage: "https://github.com/pinin4fjords/shinyngs" documentation: "https://rawgit.com/pinin4fjords/shinyngs/master/vignettes/shinyngs.html" tool_dev_url: "https://github.com/pinin4fjords/shinyngs" - licence: "['AGPL v3']" + licence: ["AGPL v3"] input: - meta: type: map diff --git a/modules/nf-core/shinyngs/staticdifferential/environment.yml b/modules/nf-core/shinyngs/staticdifferential/environment.yml index 3bf455c0..65ef5971 100644 --- a/modules/nf-core/shinyngs/staticdifferential/environment.yml +++ b/modules/nf-core/shinyngs/staticdifferential/environment.yml @@ -1,6 +1,7 @@ +name: shinyngs_staticdifferential channels: - conda-forge - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.4 + - bioconda::r-shinyngs=1.8.5 diff --git a/modules/nf-core/shinyngs/staticdifferential/main.nf b/modules/nf-core/shinyngs/staticdifferential/main.nf index 2166079f..823eadc0 100644 --- a/modules/nf-core/shinyngs/staticdifferential/main.nf +++ b/modules/nf-core/shinyngs/staticdifferential/main.nf @@ -2,10 +2,10 @@ process SHINYNGS_STATICDIFFERENTIAL { tag "$meta.id" label 'process_single' - conda 'modules/nf-core/shinyngs/staticdifferential/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.4--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.4--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.5--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.5--r43hdfd78af_0' }" input: tuple val(meta), path(differential_result) // Differential info: contrast and differential stats diff --git a/modules/nf-core/shinyngs/staticdifferential/meta.yml b/modules/nf-core/shinyngs/staticdifferential/meta.yml index 9b92ccf7..f49ff70b 100644 --- a/modules/nf-core/shinyngs/staticdifferential/meta.yml +++ b/modules/nf-core/shinyngs/staticdifferential/meta.yml @@ -11,7 +11,7 @@ tools: homepage: "https://github.com/pinin4fjords/shinyngs" documentation: "https://rawgit.com/pinin4fjords/shinyngs/master/vignettes/shinyngs.html" tool_dev_url: "https://github.com/pinin4fjords/shinyngs" - licence: "['AGPL v3']" + licence: ["AGPL v3"] input: - meta: type: map diff --git a/modules/nf-core/shinyngs/staticexploratory/environment.yml b/modules/nf-core/shinyngs/staticexploratory/environment.yml index 3bf455c0..8fbe76e2 100644 --- a/modules/nf-core/shinyngs/staticexploratory/environment.yml +++ b/modules/nf-core/shinyngs/staticexploratory/environment.yml @@ -1,6 +1,7 @@ +name: shinyngs_staticexploratory channels: - conda-forge - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.4 + - bioconda::r-shinyngs=1.8.5 diff --git a/modules/nf-core/shinyngs/staticexploratory/main.nf b/modules/nf-core/shinyngs/staticexploratory/main.nf index 4880095e..fbbb26c3 100644 --- a/modules/nf-core/shinyngs/staticexploratory/main.nf +++ b/modules/nf-core/shinyngs/staticexploratory/main.nf @@ -2,10 +2,10 @@ process SHINYNGS_STATICEXPLORATORY { tag "$meta.id" label 'process_single' - conda 'modules/nf-core/shinyngs/staticexploratory/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.4--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.4--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.5--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.5--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(feature_meta), path(assay_files) diff --git a/modules/nf-core/shinyngs/staticexploratory/meta.yml b/modules/nf-core/shinyngs/staticexploratory/meta.yml index 7bb6a61b..5a1b49b2 100644 --- a/modules/nf-core/shinyngs/staticexploratory/meta.yml +++ b/modules/nf-core/shinyngs/staticexploratory/meta.yml @@ -12,7 +12,7 @@ tools: homepage: "https://github.com/pinin4fjords/shinyngs" documentation: "https://rawgit.com/pinin4fjords/shinyngs/master/vignettes/shinyngs.html" tool_dev_url: "https://github.com/pinin4fjords/shinyngs" - licence: "['AGPL v3']" + licence: ["AGPL v3"] input: - meta: type: map diff --git a/modules/nf-core/shinyngs/validatefomcomponents/environment.yml b/modules/nf-core/shinyngs/validatefomcomponents/environment.yml index 3bf455c0..9fd7dfd8 100644 --- a/modules/nf-core/shinyngs/validatefomcomponents/environment.yml +++ b/modules/nf-core/shinyngs/validatefomcomponents/environment.yml @@ -1,6 +1,7 @@ +name: shinyngs_validatefomcomponents channels: - conda-forge - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.4 + - bioconda::r-shinyngs=1.8.5 diff --git a/modules/nf-core/shinyngs/validatefomcomponents/main.nf b/modules/nf-core/shinyngs/validatefomcomponents/main.nf index 68943f1e..88a6153a 100644 --- a/modules/nf-core/shinyngs/validatefomcomponents/main.nf +++ b/modules/nf-core/shinyngs/validatefomcomponents/main.nf @@ -2,10 +2,10 @@ process SHINYNGS_VALIDATEFOMCOMPONENTS { tag "$sample" label 'process_single' - conda 'modules/nf-core/shinyngs/validatefomcomponents/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.4--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.4--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.5--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.5--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(assay_files) diff --git a/modules/nf-core/shinyngs/validatefomcomponents/meta.yml b/modules/nf-core/shinyngs/validatefomcomponents/meta.yml index fe1672a0..9066ada4 100644 --- a/modules/nf-core/shinyngs/validatefomcomponents/meta.yml +++ b/modules/nf-core/shinyngs/validatefomcomponents/meta.yml @@ -11,7 +11,7 @@ tools: homepage: "https://github.com/pinin4fjords/shinyngs" documentation: "https://rawgit.com/pinin4fjords/shinyngs/master/vignettes/shinyngs.html" tool_dev_url: "https://github.com/pinin4fjords/shinyngs" - licence: "['AGPL v3']" + licence: ["AGPL v3"] input: - meta: type: map From cc159c22de3d3e1c34440dca28a9dfdc3b19c922 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Mon, 8 Jan 2024 09:17:51 +0000 Subject: [PATCH 067/168] update CHANGELOG --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index e39968da..a3bc5bd9 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -11,6 +11,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#221](https://github.com/nf-core/differentialabundance/pull/221) - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by ) - [[#213](https://github.com/nf-core/differentialabundance/pull/213)] - Fix volcano plot legend ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) From 1350e4b8b841669e9ac0f760bc03ebcdeb1672ef Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 9 Jan 2024 11:21:36 +0100 Subject: [PATCH 068/168] Added rounds to numeric tables --- assets/differentialabundance_report.Rmd | 3 +++ 1 file changed, 3 insertions(+) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 0372852d..18ff6bb5 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -874,6 +874,7 @@ for (i in 1:nrow(contrasts)){ colnames(contrast_de) <- prettifyVariablename(colnames(contrast_de)) if (nrow(contrast_de) > 0){ + contrast_de <- round_dataframe_columns(contrast_de, digits=params$report_round_digits) print( htmltools::tagList(datatable(contrast_de, caption = paste('Differential genes', dir, 'in', contrast_descriptions[i], " (check", differential_files[[i]], "for more detail)"), rownames = FALSE) )) }else{ cat(paste0("No significantly differential '", dir, "' genes.\n\n")) @@ -903,8 +904,10 @@ if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ for (i in 1:nrow(contrasts)){ cat("\n###### ", contrast_descriptions[i], "\n") target_gsea_results <- read_metadata(target_gsea_tables[i])[,c(-2,-3)] + target_gsea_results <- round_dataframe_columns(target_gsea_results, digits=params$report_round_digits) print( htmltools::tagList(datatable(target_gsea_results, caption = paste0("\nTarget (", contrasts$target[i], ")\n"), rownames = FALSE) )) ref_gsea_results <- read_metadata(reference_gsea_tables[i])[,c(-2,-3)] + ref_gsea_results <- round_dataframe_columns(ref_gsea_results, digits=params$report_round_digits) print( htmltools::tagList(datatable(ref_gsea_results, caption = paste0("\nReference (", contrasts$reference[i], ")\n"), rownames = FALSE) )) } } From 8baf8f4c9b0ec1adb6dd3306ac64e4c59e426161 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 9 Jan 2024 13:06:26 +0100 Subject: [PATCH 069/168] Removed newline to rerun git tests --- assets/differentialabundance_report.Rmd | 1 - 1 file changed, 1 deletion(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 18ff6bb5..48e5a44f 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -470,7 +470,6 @@ display_columns <- unique(c(display_columns, informative_variables)) observations_to_print <- observations[,unique(display_columns)] colnames(observations_to_print) <- prettifyVariablename(colnames(observations_to_print)) print( htmltools::tagList(datatable(observations_to_print, caption = paste(ucfirst(params$observations_type), 'metadata'), rownames = FALSE, options = list(dom = 'tb')) )) - ``` ## Contrasts From 56944c7e9765745d7c1972111df6297a25f6bd3c Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Wed, 10 Jan 2024 13:20:34 +0000 Subject: [PATCH 070/168] Bump module to correct GSEA CLS file creation --- modules.json | 2 +- modules/nf-core/custom/tabulartogseacls/environment.yml | 1 + modules/nf-core/custom/tabulartogseacls/main.nf | 6 +++--- 3 files changed, 5 insertions(+), 4 deletions(-) diff --git a/modules.json b/modules.json index d314ec70..7f6cda8a 100644 --- a/modules.json +++ b/modules.json @@ -27,7 +27,7 @@ }, "custom/tabulartogseacls": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "3fb69a931aa3c968ac87bc17961f30da4c9f17b5", "installed_by": ["modules"] }, "custom/tabulartogseagct": { diff --git a/modules/nf-core/custom/tabulartogseacls/environment.yml b/modules/nf-core/custom/tabulartogseacls/environment.yml index d9675fce..96c3276d 100644 --- a/modules/nf-core/custom/tabulartogseacls/environment.yml +++ b/modules/nf-core/custom/tabulartogseacls/environment.yml @@ -1,3 +1,4 @@ +name: custom_tabulartogseacls channels: - conda-forge - bioconda diff --git a/modules/nf-core/custom/tabulartogseacls/main.nf b/modules/nf-core/custom/tabulartogseacls/main.nf index 58fb5d08..5e6fd37a 100644 --- a/modules/nf-core/custom/tabulartogseacls/main.nf +++ b/modules/nf-core/custom/tabulartogseacls/main.nf @@ -2,7 +2,7 @@ process CUSTOM_TABULARTOGSEACLS { tag "$meta.id" label 'process_single' - conda 'modules/nf-core/custom/tabulartogseacls/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ubuntu:20.04' : 'nf-core/ubuntu:20.04' }" @@ -27,8 +27,8 @@ process CUSTOM_TABULARTOGSEACLS { """ cls_file=${prefix}.cls - column_number=\$(cat $samples | head -n 1 | tr '$separator' "\\n" | grep -En "^$variable" | awk -F':' '{print \$1}') - classes=\$(tail -n +2 $samples | awk -F'$separator' '{print \$'\$column_number'}') + column_number=\$(cat $samples | head -n 1 | tr '$separator' "\\n" | grep -En "^$variable\$" | awk -F':' '{print \$1}') + classes=\$(tail -n +2 $samples | awk -F'$separator' '{print \$'\$column_number'}' | sed 's/^\$/empty/g') unique_classes=\$(echo -e "\$classes" | awk '!x[\$0]++') echo -e "\$(echo -e \"\$classes\" | wc -l) \$(echo -e \"\$unique_classes\" | wc -l) 1" > \$cls_file From ba4e770cc0c5b4c5ef2e5973dafd9a2a1d3a85a2 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Wed, 10 Jan 2024 13:25:15 +0000 Subject: [PATCH 071/168] Update CHANGELOG --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index e39968da..ff471b99 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -11,6 +11,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#223](https://github.com/nf-core/differentialabundance/pull/223)] - tabulartogseacls fixes ([@pinin4fjords](https://github.com/pinin4fjords), review by) - [[#213](https://github.com/nf-core/differentialabundance/pull/213)] - Fix volcano plot legend ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) From 8c8bb07b26fa4015a2945faf238ecd24baa4136e Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Wed, 10 Jan 2024 15:01:37 +0000 Subject: [PATCH 072/168] Update CHANGELOG.md --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index a3bc5bd9..858e000c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -11,7 +11,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [[#221](https://github.com/nf-core/differentialabundance/pull/221) - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by ) +- [[#221](https://github.com/nf-core/differentialabundance/pull/221) - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) - [[#213](https://github.com/nf-core/differentialabundance/pull/213)] - Fix volcano plot legend ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) From d1730f825cf24200adbee9963966ec93d776b71c Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Wed, 10 Jan 2024 15:02:41 +0000 Subject: [PATCH 073/168] Update CHANGELOG.md --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index ff471b99..1744640b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -11,7 +11,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [[#223](https://github.com/nf-core/differentialabundance/pull/223)] - tabulartogseacls fixes ([@pinin4fjords](https://github.com/pinin4fjords), review by) +- [[#223](https://github.com/nf-core/differentialabundance/pull/223)] - tabulartogseacls fixes ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) - [[#213](https://github.com/nf-core/differentialabundance/pull/213)] - Fix volcano plot legend ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#208](https://github.com/nf-core/differentialabundance/pull/208)] - Fix resource issues and bump versions ([@pinin4fjords](https://github.com/pinin4fjords), review by [@sguizard](https://github.com/sguizard)) From 2e9560dde3f8795425a99fd9b6ffe3fe62669b39 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 11 Jan 2024 08:33:05 +0100 Subject: [PATCH 074/168] Update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index e39968da..a54bd20f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#222](https://github.com/nf-core/differentialabundance/pull/222)] - Add rounding to all numeric report tables ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#219](https://github.com/nf-core/differentialabundance/pull/219)] - Template update for nf-core/tools v2.11.1 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) ### `Fixed` From 9d1d6092382be582670107982df53a1e39de41fd Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 16 Jan 2024 14:33:41 +0100 Subject: [PATCH 075/168] Changed report contact info to a single param and added CSS for styling; updated docs --- assets/differentialabundance_report.Rmd | 72 ++++++++------------- assets/nf-core_style.css | 15 +++++ nextflow.config | 19 +----- nextflow_schema.json | 84 +++---------------------- 4 files changed, 49 insertions(+), 141 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 53e199c1..d64457dc 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -22,22 +22,7 @@ params: study_abundance_type: NULL report_file: NULL, report_title: NULL, - report_pi_name: NULL - report_pi_email: NULL - report_pi_address1: NULL - report_pi_address2: NULL - report_pi_address3: NULL - report_pi_address4: NULL - report_pi_address5: NULL - report_pi_address6: NULL - report_contact_name: NULL - report_contact_email: NULL - report_contact_address1: NULL - report_contact_address2: NULL - report_contact_address3: NULL - report_contact_address4: NULL - report_contact_address5: NULL - report_contact_address6: NULL + report_contacts_file: NULL report_author: NULL, report_description: NULL, report_scree: NULL @@ -153,6 +138,7 @@ params: gsea_zip_report: NULL gsea_chip_file: NULL gsea_gene_sets: NULL + report_bla: NULL --- @@ -203,36 +189,6 @@ subtitle: `r report_subtitle` --- \ -```{r, results='asis', echo=F, eval=T} -if (!is.null(params$report_pi_name)) { - cat(paste0("**Project Members**: \n")) - cat(paste0((params$report_pi_name))) -} -# Add further PI info only if name was provided -if (!is.null(params$report_pi_name) & !is.null(params$report_pi_email)) { cat(paste0( " \n", params$report_pi_email )) } -if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address1)) { cat(paste0( " \n", params$report_pi_address1 )) } -if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address2)) { cat(paste0( " \n", params$report_pi_address2 )) } -if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address3)) { cat(paste0( " \n", params$report_pi_address3 )) } -if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address4)) { cat(paste0( " \n", params$report_pi_address4 )) } -if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address5)) { cat(paste0( " \n", params$report_pi_address5 )) } -if (!is.null(params$report_pi_name) & !is.null(params$report_pi_address6)) { cat(paste0( " \n", params$report_pi_address6 )) } -if (!is.null(params$report_pi_name)) { cat(paste0( "

" )) } - -if (!is.null(params$report_contact_name)) { - cat(paste0("**Contact persons**: \n")) - cat(paste0((params$report_contact_name))) -} -# Add further contact info only if name was provided -if (!is.null(params$report_contact_name) & !is.null(params$report_contact_email)) { cat(paste0( " \n", params$report_contact_email )) } -if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address1)) { cat(paste0( " \n", params$report_contact_address1 )) } -if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address2)) { cat(paste0( " \n", params$report_contact_address2 )) } -if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address3)) { cat(paste0( " \n", params$report_contact_address3 )) } -if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address4)) { cat(paste0( " \n", params$report_contact_address4 )) } -if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address5)) { cat(paste0( " \n", params$report_contact_address5 )) } -if (!is.null(params$report_contact_name) & !is.null(params$report_contact_address6)) { cat(paste0( " \n", params$report_contact_address6 )) } -if (!is.null(params$report_contact_name)) { cat(paste0( "

" )) } -``` - ```{r setup, include=FALSE} @@ -255,6 +211,30 @@ cat(paste0(" ")) ``` + + +```{r, results='asis', echo=F, eval=!is.null(params$report_contacts_file)} +PIs <- paste(readLines(params$report_contacts_file), collapse="
") +PIs <- simpleSplit(PIs, "

") # Split at double linebreaks to get list of PIs + +if (length(PIs) > 1) { + for (r in 1:length(PIs)) { + if (r %% 2 != 0) { + # This happens for the 1., 3. etc. entry which are put into the left column + cat(paste0("
")) # Open surrounding div that will contain 2 PIs next to each other + cat(paste0("
**", PIs[r], "**
")) # Create inner left div + } else { + if (r <= length(PIs)) { + cat(paste0("
**", PIs[r], "**
")) # Create inner right div; will skip this for the last row if number of PIs is uneven + } + cat(paste0("
")) + } + } +} else if (length(PIs) == 1) { + cat(paste0("", PIs, "")) +} +``` + ```{r, echo=FALSE} diff --git a/assets/nf-core_style.css b/assets/nf-core_style.css index 0195a723..ba10876d 100644 --- a/assets/nf-core_style.css +++ b/assets/nf-core_style.css @@ -68,3 +68,18 @@ a { color: #24b064; text-decoration: none; } + +.div-container { + display: inline-block; +} + +.div-left { + display: inline-block; + margin-right: 150px; + margin-bottom: 25px; +} + +.div-right { + display: inline-block; + margin-bottom: 25px; +} \ No newline at end of file diff --git a/nextflow.config b/nextflow.config index 4a8382e6..2ca8eb3f 100644 --- a/nextflow.config +++ b/nextflow.config @@ -27,24 +27,7 @@ params { report_file = "${projectDir}/assets/differentialabundance_report.Rmd" report_title = null report_author = null - report_description = null - report_pi_name = null - report_pi_name = null - report_pi_email = null - report_pi_address1 = null - report_pi_address2 = null - report_pi_address3 = null - report_pi_address4 = null - report_pi_address5 = null - report_pi_address6 = null - report_contact_name = null - report_contact_email = null - report_contact_address1 = null - report_contact_address2 = null - report_contact_address3 = null - report_contact_address4 = null - report_contact_address5 = null - report_contact_address6 = null + report_contacts_file = null report_description = null report_scree = true diff --git a/nextflow_schema.json b/nextflow_schema.json index 717a36ba..ca4f28e1 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -947,85 +947,15 @@ "fa_icon": "fas fa-user-edit", "description": "An author for reporting outputs" }, - "report_pi_name": { - "type": "string", - "default": "None", - "description": "A PI for reporting outputs" - }, - "report_pi_email": { - "type": "string", - "default": "None", - "description": "A PI email address for reporting outputs" - }, - "report_pi_address1": { - "type": "string", - "default": "None", - "description": "First PI address part (e.g. institute name) for reporting outputs" - }, - "report_pi_address2": { - "type": "string", - "default": "None", - "description": "Second PI address part (e.g. university name) for reporting outputs" - }, - "report_pi_address3": { - "type": "string", - "default": "None", - "description": "Third PI address part (e.g. street name) for reporting outputs" - }, - "report_pi_address4": { - "type": "string", - "default": "None", - "description": "Fourth PI address part (e.g. postal code + city name) for reporting outputs" - }, - "report_pi_address5": { - "type": "string", - "default": "None", - "description": "Fifth PI address part (e.g. country name) for reporting outputs" - }, - "report_pi_address6": { - "type": "string", - "default": "None", - "description": "Sixth PI address part (if necessary) for reporting outputs" - }, - "report_contact_name": { - "type": "string", - "default": "None", - "description": "A contact for reporting outputs" - }, - "report_contact_email": { - "type": "string", - "default": "None", - "description": "A contact email address for reporting outputs" - }, - "report_contact_address1": { - "type": "string", - "default": "None", - "description": "First contact address part (e.g. institute name) for reporting outputs" - }, - "report_contact_address2": { - "type": "string", - "default": "None", - "description": "Second contact address part (e.g. university name) for reporting outputs" - }, - "report_contact_address3": { - "type": "string", - "default": "None", - "description": "Third contact address part (e.g. street name) for reporting outputs" - }, - "report_contact_address4": { - "type": "string", - "default": "None", - "description": "Fourth contact address part (e.g. postal code + city name) for reporting outputs" - }, - "report_contact_address5": { - "type": "string", - "default": "None", - "description": "Fifth contact address part (e.g. country name) for reporting outputs" - }, - "report_contact_address6": { + "report_contacts_file": { "type": "string", + "format": "file-path", + "exists": true, + "mimetype": "text/plain", + "pattern": "^\\S+\\.txt$", "default": "None", - "description": "Sixth contact address part (if necessary) for reporting outputs" + "description": "A TXT file containing a list of PIs, project contacts or other people that should be listed at the beginning of the report.", + "help_text": "Separate info of different persons by empty lines (double linebreaks), these will be used to create blocks for each person. Linebreaks within the info of one person will be kept in the report." }, "report_description": { "type": "string", From 58b139467493813fb3fc73890db3ad5b2cfa40f9 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 16 Jan 2024 15:32:31 +0100 Subject: [PATCH 076/168] Linting, bugfixes --- assets/nf-core_style.css | 2 +- nextflow_schema.json | 1 - workflows/differentialabundance.nf | 5 +++++ 3 files changed, 6 insertions(+), 2 deletions(-) diff --git a/assets/nf-core_style.css b/assets/nf-core_style.css index ba10876d..f124c54d 100644 --- a/assets/nf-core_style.css +++ b/assets/nf-core_style.css @@ -82,4 +82,4 @@ a { .div-right { display: inline-block; margin-bottom: 25px; -} \ No newline at end of file +} diff --git a/nextflow_schema.json b/nextflow_schema.json index a1415913..2cd2ac0c 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1050,7 +1050,6 @@ "exists": true, "mimetype": "text/plain", "pattern": "^\\S+\\.txt$", - "default": "None", "description": "A TXT file containing a list of PIs, project contacts or other people that should be listed at the beginning of the report.", "help_text": "Separate info of different persons by empty lines (double linebreaks), these will be used to create blocks for each person. Linebreaks within the info of one person will be kept in the report." }, diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 8cb7b40a..e5f8254e 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -574,6 +574,11 @@ workflow DIFFERENTIALABUNDANCE { .combine(ch_differential.map{it[1]}.toList()) .combine(ch_model.map{it[1]}.toList()) + if (params.report_contacts_file){ + ch_report_input_files = ch_report_input_files + .combine(Channel.of(file(params.report_contacts_file, checkIfExists: true))) + } + if (params.gsea_run){ ch_report_input_files = ch_report_input_files .combine(ch_gsea_results From 52142583d4a1cb318d38643d0be4fd13d1a9a547 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 18 Jan 2024 13:05:43 +0100 Subject: [PATCH 077/168] Added gene_id_col to DESEQ2_NORM modules.config entry --- conf/modules.config | 1 + 1 file changed, 1 insertion(+) diff --git a/conf/modules.config b/conf/modules.config index bf6e90cb..c8ded60e 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -171,6 +171,7 @@ process { ], ] ext.args = { [ + "--gene_id_col \"${params.features_id_col}\"", "--sample_id_col \"${params.observations_id_col}\"", "--test $params.deseq2_test", "--fit_type $params.deseq2_fit_type", From 4b1ff42ba87166de406611b6aa52bd160dde83e1 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 23 Jan 2024 16:31:47 +0100 Subject: [PATCH 078/168] Changed contributor info from file to string param, simplified CSS and RMD code --- assets/differentialabundance_report.Rmd | 27 ++++++++++++++----------- assets/nf-core_style.css | 14 +++++-------- conf/test.config | 3 +++ nextflow.config | 20 +++++++++--------- nextflow_schema.json | 10 +++------ workflows/differentialabundance.nf | 5 ----- 6 files changed, 36 insertions(+), 43 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 8191ddb3..10452232 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -22,7 +22,7 @@ params: study_abundance_type: NULL report_file: NULL, report_title: NULL, - report_contacts_file: NULL + report_contributors: NULL report_author: NULL, report_description: NULL, report_scree: NULL @@ -254,21 +254,24 @@ cat(paste0(" -```{r, results='asis', echo=F, eval=!is.null(params$report_contacts_file)} -PIs <- paste(readLines(params$report_contacts_file), collapse="
") -PIs <- simpleSplit(PIs, "

") # Split at double linebreaks to get list of PIs +```{r, results='asis', echo=F, eval=!is.null(params$report_contributors)} +PIs <- gsub("\n", "
", params$report_contributors, fixed=T) # Insert correct linebreaks for HTML +PIs <- simpleSplit(PIs, ";") # Split at semicolon to get list of PIs +PIs <- lapply(PIs, function (s) { + splt <- simpleSplit(s, "
") + first <- head(splt, 1) + rest <- tail(splt, length(splt)-1) + paste0("**", first, "**
", paste(rest, collapse="
")) # Make first line of each contributor bold +}) if (length(PIs) > 1) { for (r in 1:length(PIs)) { if (r %% 2 != 0) { - # This happens for the 1., 3. etc. entry which are put into the left column - cat(paste0("
")) # Open surrounding div that will contain 2 PIs next to each other - cat(paste0("
**", PIs[r], "**
")) # Create inner left div - } else { - if (r <= length(PIs)) { - cat(paste0("
**", PIs[r], "**
")) # Create inner right div; will skip this for the last row if number of PIs is uneven - } - cat(paste0("
")) + cat(paste0("
")) # For 1., 3. etc. entry open surrounding div that will contain 2 PIs next to each other + } + cat(paste0("
", PIs[r], "
")) # Create inner div containing the PI info itself + if (r %% 2 == 0 || r == length(PIs)) { + cat(paste0("
")) # For 2., 4. etc. entry and for last entry, close outer div } } } else if (length(PIs) == 1) { diff --git a/assets/nf-core_style.css b/assets/nf-core_style.css index f124c54d..240fe2e4 100644 --- a/assets/nf-core_style.css +++ b/assets/nf-core_style.css @@ -69,17 +69,13 @@ a { text-decoration: none; } -.div-container { - display: inline-block; -} - -.div-left { - display: inline-block; - margin-right: 150px; +.div-row { + display: flex; margin-bottom: 25px; } -.div-right { +.div-column { + flex: 1; display: inline-block; - margin-bottom: 25px; + box-sizing: border-box; } diff --git a/conf/test.config b/conf/test.config index dce5f799..2a7929f4 100644 --- a/conf/test.config +++ b/conf/test.config @@ -48,4 +48,7 @@ params { // Activate GSEA gsea_run = true gene_sets_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' + + // Report options + report_contributors = 'Jane Doe\nDirector of Institute of Microbiology\nUniversity of Smallville;John Smith\nPhD student\nInstitute of Microbiology\nUniversity of Smallville' } diff --git a/nextflow.config b/nextflow.config index cb0db507..25c8f9ad 100644 --- a/nextflow.config +++ b/nextflow.config @@ -22,16 +22,16 @@ params { sizefactors_from_controls = false // Reporting - logo_file = "${projectDir}/docs/images/nf-core-differentialabundance_logo_light.png" - css_file = "${projectDir}/assets/nf-core_style.css" - citations_file = "${projectDir}/CITATIONS.md" - report_file = "${projectDir}/assets/differentialabundance_report.Rmd" - report_title = null - report_author = null - report_contacts_file = null - report_description = null - report_scree = true - report_round_digits = 4 + logo_file = "${projectDir}/docs/images/nf-core-differentialabundance_logo_light.png" + css_file = "${projectDir}/assets/nf-core_style.css" + citations_file = "${projectDir}/CITATIONS.md" + report_file = "${projectDir}/assets/differentialabundance_report.Rmd" + report_title = null + report_author = null + report_contributors = null + report_description = null + report_scree = true + report_round_digits = 4 // Sample sheet options observations_type = 'sample' diff --git a/nextflow_schema.json b/nextflow_schema.json index 2cd2ac0c..2218d547 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1044,14 +1044,10 @@ "fa_icon": "fas fa-user-edit", "description": "An author for reporting outputs" }, - "report_contacts_file": { + "report_contributors": { "type": "string", - "format": "file-path", - "exists": true, - "mimetype": "text/plain", - "pattern": "^\\S+\\.txt$", - "description": "A TXT file containing a list of PIs, project contacts or other people that should be listed at the beginning of the report.", - "help_text": "Separate info of different persons by empty lines (double linebreaks), these will be used to create blocks for each person. Linebreaks within the info of one person will be kept in the report." + "description": "Semicolon-separated string of contributor info that should be listed in the report.", + "help_text": "List here names, roles, affiliations, contact info etc. of contributors to your project. Entries of different contributors are separated by semicolons, linebreaks within a contributor are separated by \n. The first line of each contributor will be bold in the report. E.g.: 'Jane Doe\nDirector of Institute of Microbiology\nUniversity of Smallville;John Smith\nPhD student\nUniversity of Smallville'" }, "report_description": { "type": "string", diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index e5f8254e..8cb7b40a 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -574,11 +574,6 @@ workflow DIFFERENTIALABUNDANCE { .combine(ch_differential.map{it[1]}.toList()) .combine(ch_model.map{it[1]}.toList()) - if (params.report_contacts_file){ - ch_report_input_files = ch_report_input_files - .combine(Channel.of(file(params.report_contacts_file, checkIfExists: true))) - } - if (params.gsea_run){ ch_report_input_files = ch_report_input_files .combine(ch_gsea_results From 56415b0ed800ec267c5029136d691d168ea59388 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 23 Jan 2024 16:36:24 +0100 Subject: [PATCH 079/168] Update changelog, prettier --- .devcontainer/devcontainer.json | 8 ++++---- CHANGELOG.md | 1 + 2 files changed, 5 insertions(+), 4 deletions(-) diff --git a/.devcontainer/devcontainer.json b/.devcontainer/devcontainer.json index 4ecfbfe3..4a9bc5c7 100644 --- a/.devcontainer/devcontainer.json +++ b/.devcontainer/devcontainer.json @@ -18,11 +18,11 @@ "python.linting.flake8Path": "/opt/conda/bin/flake8", "python.linting.pycodestylePath": "/opt/conda/bin/pycodestyle", "python.linting.pydocstylePath": "/opt/conda/bin/pydocstyle", - "python.linting.pylintPath": "/opt/conda/bin/pylint" + "python.linting.pylintPath": "/opt/conda/bin/pylint", }, // Add the IDs of extensions you want installed when the container is created. - "extensions": ["ms-python.python", "ms-python.vscode-pylance", "nf-core.nf-core-extensionpack"] - } - } + "extensions": ["ms-python.python", "ms-python.vscode-pylance", "nf-core.nf-core-extensionpack"], + }, + }, } diff --git a/CHANGELOG.md b/CHANGELOG.md index 98408d2c..160bfb89 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -12,6 +12,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#226](https://github.com/nf-core/differentialabundance/pull/226) - Fix DESEQ2_NORM in modules.config ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#221](https://github.com/nf-core/differentialabundance/pull/221) - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) - [[#223](https://github.com/nf-core/differentialabundance/pull/223)] - tabulartogseacls fixes ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) - [[#213](https://github.com/nf-core/differentialabundance/pull/213)] - Fix volcano plot legend ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) From bd23bec8512e9382ff08f57bd1d6e3a263c230d5 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 23 Jan 2024 16:45:27 +0100 Subject: [PATCH 080/168] Update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 160bfb89..2b103da7 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,6 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [[#222](https://github.com/nf-core/differentialabundance/pull/222)] - Add rounding to all numeric report tables ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#219](https://github.com/nf-core/differentialabundance/pull/219)] - Template update for nf-core/tools v2.11.1 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#197](https://github.com/nf-core/differentialabundance/pull/197)] - Add contributor info to report ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) ### `Fixed` From b3f42c8f2d17b2462adb2adfa69d02fffd872c44 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 24 Jan 2024 08:13:15 +0100 Subject: [PATCH 081/168] Renamed variable --- assets/differentialabundance_report.Rmd | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 10452232..ccd6d1ac 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -255,27 +255,27 @@ cat(paste0(" ```{r, results='asis', echo=F, eval=!is.null(params$report_contributors)} -PIs <- gsub("\n", "
", params$report_contributors, fixed=T) # Insert correct linebreaks for HTML -PIs <- simpleSplit(PIs, ";") # Split at semicolon to get list of PIs -PIs <- lapply(PIs, function (s) { +contributors <- gsub("\n", "
", params$report_contributors, fixed=T) # Insert correct linebreaks for HTML +contributors <- simpleSplit(contributors, ";") # Split at semicolon to get list of contributors +contributors <- lapply(contributors, function (s) { splt <- simpleSplit(s, "
") first <- head(splt, 1) rest <- tail(splt, length(splt)-1) - paste0("**", first, "**
", paste(rest, collapse="
")) # Make first line of each contributor bold + paste0("**", first, "**
", paste(rest, collapse="
")) # Make first line of each contributor bold }) -if (length(PIs) > 1) { - for (r in 1:length(PIs)) { +if (length(contributors) > 1) { + for (r in 1:length(contributors)) { if (r %% 2 != 0) { - cat(paste0("
")) # For 1., 3. etc. entry open surrounding div that will contain 2 PIs next to each other + cat(paste0("
")) # For 1., 3. etc. entry open surrounding div that will contain 2 contributors side-by-side } - cat(paste0("
", PIs[r], "
")) # Create inner div containing the PI info itself - if (r %% 2 == 0 || r == length(PIs)) { - cat(paste0("
")) # For 2., 4. etc. entry and for last entry, close outer div + cat(paste0("
", contributors[r], "
")) # Create inner div containing the PI info itself + if (r %% 2 == 0 || r == length(contributors)) { + cat(paste0("
")) # For 2., 4. etc. entry and for last entry, close outer div } } -} else if (length(PIs) == 1) { - cat(paste0("", PIs, "")) +} else if (length(contributors) == 1) { + cat(paste0("", contributors, "")) } ``` From d62c163c4af6e0fad328823d68c48dc928af84b0 Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Sat, 27 Jan 2024 09:27:26 +0100 Subject: [PATCH 082/168] Update assets/differentialabundance_report.Rmd Co-authored-by: Jonathan Manning --- assets/differentialabundance_report.Rmd | 25 +++++++------------------ 1 file changed, 7 insertions(+), 18 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index ccd6d1ac..2088b628 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -255,27 +255,16 @@ cat(paste0(" ```{r, results='asis', echo=F, eval=!is.null(params$report_contributors)} -contributors <- gsub("\n", "
", params$report_contributors, fixed=T) # Insert correct linebreaks for HTML -contributors <- simpleSplit(contributors, ";") # Split at semicolon to get list of contributors -contributors <- lapply(contributors, function (s) { +contributors <- gsub("\n", "
", params$report_contributors, fixed = TRUE) +contributors <- lapply(simpleSplit(contributors, ";"), function(s) { splt <- simpleSplit(s, "
") - first <- head(splt, 1) - rest <- tail(splt, length(splt)-1) - paste0("**", first, "**
", paste(rest, collapse="
")) # Make first line of each contributor bold + paste0("**", head(splt, 1), "**
", paste(tail(splt, -1), collapse = "
")) }) -if (length(contributors) > 1) { - for (r in 1:length(contributors)) { - if (r %% 2 != 0) { - cat(paste0("
")) # For 1., 3. etc. entry open surrounding div that will contain 2 contributors side-by-side - } - cat(paste0("
", contributors[r], "
")) # Create inner div containing the PI info itself - if (r %% 2 == 0 || r == length(contributors)) { - cat(paste0("
")) # For 2., 4. etc. entry and for last entry, close outer div - } - } -} else if (length(contributors) == 1) { - cat(paste0("", contributors, "")) +for (r in seq_along(contributors)) { + if (r %% 2 == 1) cat("
") + cat(paste0("
", contributors[r], "
")) + if (r %% 2 == 0 || r == length(contributors)) cat("
") } ``` From 0a300ffa2c7e4244fde07720ca3d2ae3d6c1082b Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Mon, 29 Jan 2024 15:12:22 +0000 Subject: [PATCH 083/168] Template update for nf-core/tools version 2.12 --- .editorconfig | 8 + .github/workflows/awsfulltest.yml | 2 +- .github/workflows/awstest.yml | 2 +- .github/workflows/branch.yml | 2 +- .github/workflows/clean-up.yml | 2 +- .github/workflows/download_pipeline.yml | 67 +++++ .github/workflows/fix-linting.yml | 72 +++-- .github/workflows/linting.yml | 61 +--- .github/workflows/linting_comment.yml | 2 +- .github/workflows/release-announcements.yml | 4 +- .gitpod.yml | 1 + .pre-commit-config.yaml | 7 +- README.md | 8 +- assets/email_template.html | 2 +- assets/email_template.txt | 2 +- ...-core-differentialabundance_logo_light.png | Bin 97252 -> 71588 bytes ...f-core-differentialabundance_logo_dark.png | Bin 97432 -> 21494 bytes ...-core-differentialabundance_logo_light.png | Bin 97252 -> 18165 bytes lib/WorkflowMain.groovy | 16 +- lib/nfcore_external_java_deps.jar | Bin 2291171 -> 0 bytes main.nf | 2 +- modules.json | 6 +- .../dumpsoftwareversions/environment.yml | 2 +- .../custom/dumpsoftwareversions/main.nf | 4 +- .../dumpsoftwareversions/tests/main.nf.test | 7 +- .../tests/main.nf.test.snap | 50 ++-- modules/nf-core/fastqc/tests/main.nf.test | 265 ++++++++++++------ .../nf-core/fastqc/tests/main.nf.test.snap | 12 +- modules/nf-core/multiqc/environment.yml | 2 +- modules/nf-core/multiqc/main.nf | 6 +- modules/nf-core/multiqc/meta.yml | 1 - modules/nf-core/multiqc/tests/main.nf.test | 48 +++- .../nf-core/multiqc/tests/main.nf.test.snap | 21 ++ nextflow.config | 3 +- pyproject.toml | 17 +- workflows/differentialabundance.nf | 7 + 36 files changed, 490 insertions(+), 221 deletions(-) create mode 100644 .github/workflows/download_pipeline.yml delete mode 100644 lib/nfcore_external_java_deps.jar create mode 100644 modules/nf-core/multiqc/tests/main.nf.test.snap diff --git a/.editorconfig b/.editorconfig index b6b31907..9b990088 100644 --- a/.editorconfig +++ b/.editorconfig @@ -22,3 +22,11 @@ indent_size = unset [/assets/email*] indent_size = unset + +# ignore Readme +[README.md] +indent_style = unset + +# ignore python +[*.{py}] +indent_style = unset diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index e7cbf589..aa6416ec 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -31,7 +31,7 @@ jobs: } profiles: test_full - - uses: actions/upload-artifact@v3 + - uses: actions/upload-artifact@v4 with: name: Tower debug log file path: | diff --git a/.github/workflows/awstest.yml b/.github/workflows/awstest.yml index 1bd534bd..ed9b65e7 100644 --- a/.github/workflows/awstest.yml +++ b/.github/workflows/awstest.yml @@ -25,7 +25,7 @@ jobs: } profiles: test - - uses: actions/upload-artifact@v3 + - uses: actions/upload-artifact@v4 with: name: Tower debug log file path: | diff --git a/.github/workflows/branch.yml b/.github/workflows/branch.yml index 3bf724ea..a9e58e43 100644 --- a/.github/workflows/branch.yml +++ b/.github/workflows/branch.yml @@ -19,7 +19,7 @@ jobs: # NOTE - this doesn't currently work if the PR is coming from a fork, due to limitations in GitHub actions secrets - name: Post PR comment if: failure() - uses: mshick/add-pr-comment@v1 + uses: mshick/add-pr-comment@v2 with: message: | ## This PR is against the `master` branch :x: diff --git a/.github/workflows/clean-up.yml b/.github/workflows/clean-up.yml index 694e90ec..e37cfda5 100644 --- a/.github/workflows/clean-up.yml +++ b/.github/workflows/clean-up.yml @@ -10,7 +10,7 @@ jobs: issues: write pull-requests: write steps: - - uses: actions/stale@v7 + - uses: actions/stale@v9 with: stale-issue-message: "This issue has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor. Remove stale label or add a comment otherwise this issue will be closed in 20 days." stale-pr-message: "This PR has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor. Remove stale label or add a comment if it is still useful." diff --git a/.github/workflows/download_pipeline.yml b/.github/workflows/download_pipeline.yml new file mode 100644 index 00000000..8611458a --- /dev/null +++ b/.github/workflows/download_pipeline.yml @@ -0,0 +1,67 @@ +name: Test successful pipeline download with 'nf-core download' + +# Run the workflow when: +# - dispatched manually +# - when a PR is opened or reopened to master branch +# - the head branch of the pull request is updated, i.e. if fixes for a release are pushed last minute to dev. +on: + workflow_dispatch: + pull_request: + types: + - opened + branches: + - master + pull_request_target: + branches: + - master + +env: + NXF_ANSI_LOG: false + +jobs: + download: + runs-on: ubuntu-latest + steps: + - name: Install Nextflow + uses: nf-core/setup-nextflow@v1 + + - uses: actions/setup-python@v5 + with: + python-version: "3.11" + architecture: "x64" + - uses: eWaterCycle/setup-singularity@v7 + with: + singularity-version: 3.8.3 + + - name: Install dependencies + run: | + python -m pip install --upgrade pip + pip install git+https://github.com/nf-core/tools.git@dev + + - name: Get the repository name and current branch set as environment variable + run: | + echo "REPO_LOWERCASE=${GITHUB_REPOSITORY,,}" >> ${GITHUB_ENV} + echo "REPOTITLE_LOWERCASE=$(basename ${GITHUB_REPOSITORY,,})" >> ${GITHUB_ENV} + echo "REPO_BRANCH=${GITHUB_REF#refs/heads/}" >> ${GITHUB_ENV} + + - name: Download the pipeline + env: + NXF_SINGULARITY_CACHEDIR: ./ + run: | + nf-core download ${{ env.REPO_LOWERCASE }} \ + --revision ${{ env.REPO_BRANCH }} \ + --outdir ./${{ env.REPOTITLE_LOWERCASE }} \ + --compress "none" \ + --container-system 'singularity' \ + --container-library "quay.io" -l "docker.io" -l "ghcr.io" \ + --container-cache-utilisation 'amend' \ + --download-configuration + + - name: Inspect download + run: tree ./${{ env.REPOTITLE_LOWERCASE }} + + - name: Run the downloaded pipeline + env: + NXF_SINGULARITY_CACHEDIR: ./ + NXF_SINGULARITY_HOME_MOUNT: true + run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -stub -profile test,singularity --outdir ./results diff --git a/.github/workflows/fix-linting.yml b/.github/workflows/fix-linting.yml index 3cef88c5..07013265 100644 --- a/.github/workflows/fix-linting.yml +++ b/.github/workflows/fix-linting.yml @@ -4,7 +4,7 @@ on: types: [created] jobs: - deploy: + fix-linting: # Only run if comment is on a PR with the main repo, and if it contains the magic keywords if: > contains(github.event.comment.html_url, '/pull/') && @@ -13,10 +13,17 @@ jobs: runs-on: ubuntu-latest steps: # Use the @nf-core-bot token to check out so we can push later - - uses: actions/checkout@v4 + - uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4 with: token: ${{ secrets.nf_core_bot_auth_token }} + # indication that the linting is being fixed + - name: React on comment + uses: peter-evans/create-or-update-comment@71345be0265236311c031f5c7866368bd1eff043 # v4 + with: + comment-id: ${{ github.event.comment.id }} + reactions: eyes + # Action runs on the issue comment, so we don't get the PR by default # Use the gh cli to check out the PR - name: Checkout Pull Request @@ -24,32 +31,59 @@ jobs: env: GITHUB_TOKEN: ${{ secrets.nf_core_bot_auth_token }} - - uses: actions/setup-node@v4 + # Install and run pre-commit + - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5 + with: + python-version: 3.11 - - name: Install Prettier - run: npm install -g prettier @prettier/plugin-php + - name: Install pre-commit + run: pip install pre-commit - # Check that we actually need to fix something - - name: Run 'prettier --check' - id: prettier_status - run: | - if prettier --check ${GITHUB_WORKSPACE}; then - echo "result=pass" >> $GITHUB_OUTPUT - else - echo "result=fail" >> $GITHUB_OUTPUT - fi + - name: Run pre-commit + id: pre-commit + run: pre-commit run --all-files + continue-on-error: true - - name: Run 'prettier --write' - if: steps.prettier_status.outputs.result == 'fail' - run: prettier --write ${GITHUB_WORKSPACE} + # indication that the linting has finished + - name: react if linting finished succesfully + if: steps.pre-commit.outcome == 'success' + uses: peter-evans/create-or-update-comment@71345be0265236311c031f5c7866368bd1eff043 # v4 + with: + comment-id: ${{ github.event.comment.id }} + reactions: "+1" - name: Commit & push changes - if: steps.prettier_status.outputs.result == 'fail' + id: commit-and-push + if: steps.pre-commit.outcome == 'failure' run: | git config user.email "core@nf-co.re" git config user.name "nf-core-bot" git config push.default upstream git add . git status - git commit -m "[automated] Fix linting with Prettier" + git commit -m "[automated] Fix code linting" git push + + - name: react if linting errors were fixed + id: react-if-fixed + if: steps.commit-and-push.outcome == 'success' + uses: peter-evans/create-or-update-comment@71345be0265236311c031f5c7866368bd1eff043 # v4 + with: + comment-id: ${{ github.event.comment.id }} + reactions: hooray + + - name: react if linting errors were not fixed + if: steps.commit-and-push.outcome == 'failure' + uses: peter-evans/create-or-update-comment@71345be0265236311c031f5c7866368bd1eff043 # v4 + with: + comment-id: ${{ github.event.comment.id }} + reactions: confused + + - name: react if linting errors were not fixed + if: steps.commit-and-push.outcome == 'failure' + uses: peter-evans/create-or-update-comment@71345be0265236311c031f5c7866368bd1eff043 # v4 + with: + issue-number: ${{ github.event.issue.number }} + body: | + @${{ github.actor }} I tried to fix the linting errors, but it didn't work. Please fix them manually. + See [CI log](https://github.com/nf-core/differentialabundance/actions/runs/${{ github.run_id }}) for more details. diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index 905c58e4..81cd098e 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -11,61 +11,22 @@ on: types: [published] jobs: - EditorConfig: + pre-commit: runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 - - uses: actions/setup-node@v4 - - - name: Install editorconfig-checker - run: npm install -g editorconfig-checker - - - name: Run ECLint check - run: editorconfig-checker -exclude README.md $(find .* -type f | grep -v '.git\|.py\|.md\|json\|yml\|yaml\|html\|css\|work\|.nextflow\|build\|nf_core.egg-info\|log.txt\|Makefile') - - Prettier: - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@v4 - - - uses: actions/setup-node@v4 - - - name: Install Prettier - run: npm install -g prettier - - - name: Run Prettier --check - run: prettier --check ${GITHUB_WORKSPACE} - - PythonBlack: - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@v4 - - - name: Check code lints with Black - uses: psf/black@stable - - # If the above check failed, post a comment on the PR explaining the failure - - name: Post PR comment - if: failure() - uses: mshick/add-pr-comment@v1 + - name: Set up Python 3.11 + uses: actions/setup-python@v5 with: - message: | - ## Python linting (`black`) is failing - - To keep the code consistent with lots of contributors, we run automated code consistency checks. - To fix this CI test, please run: - - * Install [`black`](https://black.readthedocs.io/en/stable/): `pip install black` - * Fix formatting errors in your pipeline: `black .` - - Once you push these changes the test should pass, and you can hide this comment :+1: + python-version: 3.11 + cache: "pip" - We highly recommend setting up Black in your code editor so that this formatting is done automatically on save. Ask about it on Slack for help! + - name: Install pre-commit + run: pip install pre-commit - Thanks again for your contribution! - repo-token: ${{ secrets.GITHUB_TOKEN }} - allow-repeats: false + - name: Run pre-commit + run: pre-commit run --all-files nf-core: runs-on: ubuntu-latest @@ -76,7 +37,7 @@ jobs: - name: Install Nextflow uses: nf-core/setup-nextflow@v1 - - uses: actions/setup-python@v4 + - uses: actions/setup-python@v5 with: python-version: "3.11" architecture: "x64" @@ -99,7 +60,7 @@ jobs: - name: Upload linting log file artifact if: ${{ always() }} - uses: actions/upload-artifact@v3 + uses: actions/upload-artifact@v4 with: name: linting-logs path: | diff --git a/.github/workflows/linting_comment.yml b/.github/workflows/linting_comment.yml index 0bbcd30f..147bcd10 100644 --- a/.github/workflows/linting_comment.yml +++ b/.github/workflows/linting_comment.yml @@ -11,7 +11,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Download lint results - uses: dawidd6/action-download-artifact@v2 + uses: dawidd6/action-download-artifact@v3 with: workflow: linting.yml workflow_conclusion: completed diff --git a/.github/workflows/release-announcements.yml b/.github/workflows/release-announcements.yml index 6ad33927..21ac3f06 100644 --- a/.github/workflows/release-announcements.yml +++ b/.github/workflows/release-announcements.yml @@ -24,7 +24,7 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/setup-python@v4 + - uses: actions/setup-python@v5 with: python-version: "3.10" - name: Install dependencies @@ -56,7 +56,7 @@ jobs: bsky-post: runs-on: ubuntu-latest steps: - - uses: zentered/bluesky-post-action@v0.0.2 + - uses: zentered/bluesky-post-action@v0.1.0 with: post: | Pipeline release! ${{ github.repository }} v${{ github.event.release.tag_name }} - ${{ github.event.release.name }}! diff --git a/.gitpod.yml b/.gitpod.yml index acf72695..363d5b1d 100644 --- a/.gitpod.yml +++ b/.gitpod.yml @@ -7,6 +7,7 @@ tasks: - name: unset JAVA_TOOL_OPTIONS command: | unset JAVA_TOOL_OPTIONS + vscode: extensions: # based on nf-core.nf-core-extensionpack - codezombiech.gitignore # Language support for .gitignore files diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 0c31cdb9..af57081f 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -1,5 +1,10 @@ repos: - repo: https://github.com/pre-commit/mirrors-prettier - rev: "v2.7.1" + rev: "v3.1.0" hooks: - id: prettier + - repo: https://github.com/editorconfig-checker/editorconfig-checker.python + rev: "2.7.3" + hooks: + - id: editorconfig-checker + alias: ec diff --git a/README.md b/README.md index 177ad1f5..43e7e3cf 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,9 @@ -# ![nf-core/differentialabundance](docs/images/nf-core-differentialabundance_logo_light.png#gh-light-mode-only) ![nf-core/differentialabundance](docs/images/nf-core-differentialabundance_logo_dark.png#gh-dark-mode-only) - +

+ + + nf-core/differentialabundance + +

[![GitHub Actions CI Status](https://github.com/nf-core/differentialabundance/workflows/nf-core%20CI/badge.svg)](https://github.com/nf-core/differentialabundance/actions?query=workflow%3A%22nf-core+CI%22) [![GitHub Actions Linting Status](https://github.com/nf-core/differentialabundance/workflows/nf-core%20linting/badge.svg)](https://github.com/nf-core/differentialabundance/actions?query=workflow%3A%22nf-core+linting%22)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/differentialabundance/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX) diff --git a/assets/email_template.html b/assets/email_template.html index 0cac8291..38ec166e 100644 --- a/assets/email_template.html +++ b/assets/email_template.html @@ -12,7 +12,7 @@ -

nf-core/differentialabundance v${version}

+

nf-core/differentialabundance ${version}

Run Name: $runName

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(profile.endsWith(',')) { + Nextflow.error "Profile cannot end with a trailing comma. Please remove the comma from the end of the profile string.\nHint: A common mistake is to provide multiple values to `-profile` separated by spaces. Please use commas to separate profiles instead,e.g., `-profile docker,test`." + } + if (args[0]) { + log.warn "nf-core pipelines do not accept positional arguments. The positional argument `${args[0]}` has been detected.\n Hint: A common mistake is to provide multiple values to `-profile` separated by spaces. Please use commas to separate profiles instead,e.g., `-profile docker,test`." + } + } } diff --git a/lib/nfcore_external_java_deps.jar b/lib/nfcore_external_java_deps.jar deleted file mode 100644 index 805c8bb5e4fd43a12a5891eea5a68788309629b0..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 2291171 zcma%i1CS<7mu}m(-Ea4_?dhK8v~AnAZQHhO+qP}n-E-&Lf8*Yb{bM(7MpZ;s){{|L znGpxiIY(9k6buar3JMCSNkdW|=)W{*ATS^)VMTsgF=-L{?{Od?P#{?eNT`1hApZ%I z{U0Zz{YCuW$x{5%Vj{u{igZ#U4^op8k`lCZbMO+hRMV3)4e|_&%)3YSbmCGpVp4NX zni_mKLGakt&P12{r^KCD0GPa9sIuy`fu+agt?8O-hY9i{WloGe}y@kSsDEY_Fud9 z-?2ab4J)MQXe4E3Xl-U<>PRMQZ)0m@@90KnV5#Te5Tz`pvZ0Lj4F<9%Flh(`Qb;Tn zMV!iFmH{S^fF*j#MCKRUd`7m>9||*;WE32I_6pg4-Q1C#ke$$aVmP-TtfJ+j+N9;Q z>bxN=bCVQkg$Jzty71(+~A9}ZfANuYIVnTdW!??Sj)Ti-Qpk8XgPDab8pk2QD&dwUl=iFhd1c$C2uMVagr zWc@z9s$#g__{3?VGb#)^fSNp^lZh zU>MI!D?+L)nyth{@@L0+B&_M8iR08L)G6#PZQLFmvz-9DlZkwRWigRIyI4xYr7>tRJ-N6MlBB`nJQ!!8D)mI2lB3PP;dC{<{Td>^ 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b/modules.json index 98df6711..75556f0d 100644 --- a/modules.json +++ b/modules.json @@ -7,17 +7,17 @@ "nf-core": { "custom/dumpsoftwareversions": { "branch": "master", - "git_sha": "bba7e362e4afead70653f84d8700588ea28d0f9e", + "git_sha": "8ec825f465b9c17f9d83000022995b4f7de6fe93", "installed_by": ["modules"] }, "fastqc": { "branch": "master", - "git_sha": "65ad3e0b9a4099592e1102e92e10455dc661cf53", + "git_sha": "c9488585ce7bd35ccd2a30faa2371454c8112fb9", "installed_by": ["modules"] }, "multiqc": { "branch": "master", - "git_sha": "4ab13872435962dadc239979554d13709e20bf29", + "git_sha": "8ec825f465b9c17f9d83000022995b4f7de6fe93", "installed_by": ["modules"] } } diff --git a/modules/nf-core/custom/dumpsoftwareversions/environment.yml b/modules/nf-core/custom/dumpsoftwareversions/environment.yml index f0c63f69..9b3272bc 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/environment.yml +++ b/modules/nf-core/custom/dumpsoftwareversions/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::multiqc=1.17 + - bioconda::multiqc=1.19 diff --git a/modules/nf-core/custom/dumpsoftwareversions/main.nf b/modules/nf-core/custom/dumpsoftwareversions/main.nf index 7685b33c..f2187611 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/main.nf +++ b/modules/nf-core/custom/dumpsoftwareversions/main.nf @@ -4,8 +4,8 @@ process CUSTOM_DUMPSOFTWAREVERSIONS { // Requires `pyyaml` which does not have a dedicated container but is in the MultiQC container conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.17--pyhdfd78af_0' : - 'biocontainers/multiqc:1.17--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.19--pyhdfd78af_0' : + 'biocontainers/multiqc:1.19--pyhdfd78af_0' }" input: path versions diff --git a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test index eec1db10..b1e1630b 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test +++ b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test @@ -31,7 +31,12 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert snapshot( + process.out.versions, + file(process.out.mqc_yml[0]).readLines()[0..10], + file(process.out.yml[0]).readLines()[0..7] + ).match() + } ) } } diff --git a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap index 4274ed57..5f59a936 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap +++ b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap @@ -1,27 +1,33 @@ { "Should run without failures": { "content": [ - { - "0": [ - "software_versions.yml:md5,1c851188476409cda5752ce971b20b58" - ], - "1": [ - "software_versions_mqc.yml:md5,2570f4ba271ad08357b0d3d32a9cf84d" - ], - "2": [ - "versions.yml:md5,3843ac526e762117eedf8825b40683df" - ], - "mqc_yml": [ - "software_versions_mqc.yml:md5,2570f4ba271ad08357b0d3d32a9cf84d" - ], - "versions": [ - "versions.yml:md5,3843ac526e762117eedf8825b40683df" - ], - "yml": [ - "software_versions.yml:md5,1c851188476409cda5752ce971b20b58" - ] - } + [ + "versions.yml:md5,76d454d92244589d32455833f7c1ba6d" + ], + [ + "data: \"\\n\\n \\n \\n \\n \\n \\n \\n \\n\\", + " \\n\\n\\n \\n \\n\\", + " \\ \\n\\n\\n\\n \\n \\", + " \\ \\n \\n\\n\\n\\n\\", + " \\n\\n \\n \\n\\", + " \\ \\n\\n\\n\\n\\n\\n \\n\\", + " \\ \\n \\n\\n\\n\\n\\", + " \\n\\n \\n \\n\\" + ], + [ + "CUSTOM_DUMPSOFTWAREVERSIONS:", + " python: 3.11.7", + " yaml: 5.4.1", + "TOOL1:", + " tool1: 0.11.9", + "TOOL2:", + " tool2: '1.9'", + "Workflow:" + ] ], - "timestamp": "2023-11-03T14:43:22.157011" + "timestamp": "2024-01-09T23:01:18.710682" } -} +} \ No newline at end of file diff --git a/modules/nf-core/fastqc/tests/main.nf.test b/modules/nf-core/fastqc/tests/main.nf.test index b9e8f926..1f21c664 100644 --- a/modules/nf-core/fastqc/tests/main.nf.test +++ b/modules/nf-core/fastqc/tests/main.nf.test @@ -3,24 +3,20 @@ nextflow_process { name "Test Process FASTQC" script "../main.nf" process "FASTQC" + tag "modules" tag "modules_nfcore" tag "fastqc" - test("Single-Read") { + test("sarscov2 single-end [fastq]") { when { - params { - outdir = "$outputDir" - } process { """ - input[0] = [ + input[0] = Channel.of([ [ id: 'test', single_end:true ], - [ - file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz'], checkIfExists: true) - ] - ] + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true) ] + ]) """ } } @@ -28,82 +24,189 @@ nextflow_process { then { assertAll ( { assert process.success }, + // NOTE The report contains the date inside it, which means that the md5sum is stable per day, but not longer than that. So you can't md5sum it. // looks like this:
Mon 2 Oct 2023
test.gz
// https://github.com/nf-core/modules/pull/3903#issuecomment-1743620039 - { assert process.out.html.get(0).get(1) ==~ ".*/test_fastqc.html" }, - { assert path(process.out.html.get(0).get(1)).getText().contains("") }, - { assert snapshot(process.out.versions).match("versions") }, - { assert process.out.zip.get(0).get(1) ==~ ".*/test_fastqc.zip" } + + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("") }, + + { assert snapshot(process.out.versions).match("versions") } + ) + } + } + + test("sarscov2 paired-end [fastq]") { + + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_2.fastq.gz', checkIfExists: true) ] + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + + { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, + { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, + { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, + { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, + { assert path(process.out.html[0][1][0]).text.contains("") }, + { assert path(process.out.html[0][1][1]).text.contains("") }, + + { assert snapshot(process.out.versions).match("versions") } + ) + } + } + + test("sarscov2 interleaved [fastq]") { + + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_interleaved.fastq.gz', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("") }, + + { assert snapshot(process.out.versions).match("versions") } ) } } -// TODO -// // -// // Test with paired-end data -// // -// workflow test_fastqc_paired_end { -// input = [ -// [id: 'test', single_end: false], // meta map -// [ -// file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz'], checkIfExists: true), -// file(params.test_data['sarscov2']['illumina']['test_2_fastq_gz'], checkIfExists: true) -// ] -// ] - -// FASTQC ( input ) -// } - -// // -// // Test with interleaved data -// // -// workflow test_fastqc_interleaved { -// input = [ -// [id: 'test', single_end: false], // meta map -// file(params.test_data['sarscov2']['illumina']['test_interleaved_fastq_gz'], checkIfExists: true) -// ] - -// FASTQC ( input ) -// } - -// // -// // Test with bam data -// // -// workflow test_fastqc_bam { -// input = [ -// [id: 'test', single_end: false], // meta map -// file(params.test_data['sarscov2']['illumina']['test_paired_end_sorted_bam'], checkIfExists: true) -// ] - -// FASTQC ( input ) -// } - -// // -// // Test with multiple samples -// // -// workflow test_fastqc_multiple { -// input = [ -// [id: 'test', single_end: false], // meta map -// [ -// file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz'], checkIfExists: true), -// file(params.test_data['sarscov2']['illumina']['test_2_fastq_gz'], checkIfExists: true), -// file(params.test_data['sarscov2']['illumina']['test2_1_fastq_gz'], checkIfExists: true), -// file(params.test_data['sarscov2']['illumina']['test2_2_fastq_gz'], checkIfExists: true) -// ] -// ] - -// FASTQC ( input ) -// } - -// // -// // Test with custom prefix -// // -// workflow test_fastqc_custom_prefix { -// input = [ -// [ id:'mysample', single_end:true ], // meta map -// file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz'], checkIfExists: true) -// ] - -// FASTQC ( input ) -// } + + test("sarscov2 paired-end [bam]") { + + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/bam/test.paired_end.sorted.bam', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("") }, + + { assert snapshot(process.out.versions).match("versions") } + ) + } + } + + test("sarscov2 multiple [fastq]") { + + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_2.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test2_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test2_2.fastq.gz', checkIfExists: true) ] + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + + { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, + { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, + { assert process.out.html[0][1][2] ==~ ".*/test_3_fastqc.html" }, + { assert process.out.html[0][1][3] ==~ ".*/test_4_fastqc.html" }, + { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, + { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, + { assert process.out.zip[0][1][2] ==~ ".*/test_3_fastqc.zip" }, + { assert process.out.zip[0][1][3] ==~ ".*/test_4_fastqc.zip" }, + { assert path(process.out.html[0][1][0]).text.contains("") }, + { assert path(process.out.html[0][1][1]).text.contains("") }, + { assert path(process.out.html[0][1][2]).text.contains("") }, + { assert path(process.out.html[0][1][3]).text.contains("") }, + + { assert snapshot(process.out.versions).match("versions") } + ) + } + } + + test("sarscov2 custom_prefix") { + + when { + process { + """ + input[0] = Channel.of([ + [ id:'mysample', single_end:true ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + + { assert process.out.html[0][1] ==~ ".*/mysample_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/mysample_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("") }, + + { assert snapshot(process.out.versions).match("versions") } + ) + } + } + + test("sarscov2 single-end [fastq] - stub") { + + options "-stub" + + when { + process { + """ + input[0] = Channel.of([ + [ id: 'test', single_end:true ], + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true) ] + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out.html.collect { file(it[1]).getName() } + + process.out.zip.collect { file(it[1]).getName() } + + process.out.versions ).match() } + ) + } + } + } diff --git a/modules/nf-core/fastqc/tests/main.nf.test.snap b/modules/nf-core/fastqc/tests/main.nf.test.snap index 636a32ce..5d624bb8 100644 --- a/modules/nf-core/fastqc/tests/main.nf.test.snap +++ b/modules/nf-core/fastqc/tests/main.nf.test.snap @@ -1,10 +1,20 @@ { + "sarscov2 single-end [fastq] - stub": { + "content": [ + [ + "test.html", + "test.zip", + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ] + ], + "timestamp": "2024-01-17T18:40:57.254299" + }, "versions": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], - "timestamp": "2023-10-09T23:40:54+0000" + "timestamp": "2024-01-17T18:36:50.033627" } } \ No newline at end of file diff --git a/modules/nf-core/multiqc/environment.yml b/modules/nf-core/multiqc/environment.yml index bc0bdb5b..7625b752 100644 --- a/modules/nf-core/multiqc/environment.yml +++ b/modules/nf-core/multiqc/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::multiqc=1.18 + - bioconda::multiqc=1.19 diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 00cc48d2..1b9f7c43 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -3,8 +3,8 @@ process MULTIQC { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.18--pyhdfd78af_0' : - 'biocontainers/multiqc:1.18--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.19--pyhdfd78af_0' : + 'biocontainers/multiqc:1.19--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" @@ -43,7 +43,7 @@ process MULTIQC { stub: """ - touch multiqc_data + mkdir multiqc_data touch multiqc_plots touch multiqc_report.html diff --git a/modules/nf-core/multiqc/meta.yml b/modules/nf-core/multiqc/meta.yml index f1aa660e..45a9bc35 100644 --- a/modules/nf-core/multiqc/meta.yml +++ b/modules/nf-core/multiqc/meta.yml @@ -1,4 +1,3 @@ -# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/meta-schema.json name: multiqc description: Aggregate results from bioinformatics analyses across many samples into a single report keywords: diff --git a/modules/nf-core/multiqc/tests/main.nf.test b/modules/nf-core/multiqc/tests/main.nf.test index c2dad217..d0438eda 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test +++ b/modules/nf-core/multiqc/tests/main.nf.test @@ -7,12 +7,9 @@ nextflow_process { tag "modules_nfcore" tag "multiqc" - test("MULTIQC: FASTQC") { + test("sarscov2 single-end [fastqc]") { when { - params { - outdir = "$outputDir" - } process { """ input[0] = Channel.of([file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz_fastqc_zip'], checkIfExists: true)]) @@ -26,20 +23,17 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert path(process.out.report.get(0)).exists() }, - { assert path(process.out.data.get(0)).exists() }, - { assert path(process.out.versions.get(0)).getText().contains("multiqc") } + { assert process.out.report[0] ==~ ".*/multiqc_report.html" }, + { assert process.out.data[0] ==~ ".*/multiqc_data" }, + { assert snapshot(process.out.versions).match("versions") } ) } } - test("MULTIQC: FASTQC and a config file") { + test("sarscov2 single-end [fastqc] [config]") { when { - params { - outdir = "$outputDir" - } process { """ input[0] = Channel.of([file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz_fastqc_zip'], checkIfExists: true)]) @@ -53,9 +47,35 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert path(process.out.report.get(0)).exists() }, - { assert path(process.out.data.get(0)).exists() }, - { assert path(process.out.versions.get(0)).getText().contains("multiqc") } + { assert process.out.report[0] ==~ ".*/multiqc_report.html" }, + { assert process.out.data[0] ==~ ".*/multiqc_data" }, + { assert snapshot(process.out.versions).match("versions") } + ) + } + } + + test("sarscov2 single-end [fastqc] - stub") { + + options "-stub" + + when { + process { + """ + input[0] = Channel.of([file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz_fastqc_zip'], checkIfExists: true)]) + input[1] = [] + input[2] = [] + input[3] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.report.collect { file(it).getName() } + + process.out.data.collect { file(it).getName() } + + process.out.plots.collect { file(it).getName() } + + process.out.versions ).match() } ) } diff --git a/modules/nf-core/multiqc/tests/main.nf.test.snap b/modules/nf-core/multiqc/tests/main.nf.test.snap new file mode 100644 index 00000000..d37e7304 --- /dev/null +++ b/modules/nf-core/multiqc/tests/main.nf.test.snap @@ -0,0 +1,21 @@ +{ + "versions": { + "content": [ + [ + "versions.yml:md5,14e9a2661241abd828f4f06a7b5c222d" + ] + ], + "timestamp": "2024-01-09T23:02:49.911994" + }, + "sarscov2 single-end [fastqc] - stub": { + "content": [ + [ + "multiqc_report.html", + "multiqc_data", + "multiqc_plots", + "versions.yml:md5,14e9a2661241abd828f4f06a7b5c222d" + ] + ], + "timestamp": "2024-01-09T23:03:14.524346" + } +} \ No newline at end of file diff --git a/nextflow.config b/nextflow.config index c5c5aebb..5af706ec 100644 --- a/nextflow.config +++ b/nextflow.config @@ -71,7 +71,7 @@ try { } // Load nf-core/differentialabundance custom profiles from different institutions. -// Warning: Uncomment only if a pipeline-specific instititutional config already exists on nf-core/configs! +// Warning: Uncomment only if a pipeline-specific institutional config already exists on nf-core/configs! // try { // includeConfig "${params.custom_config_base}/pipeline/differentialabundance.config" // } catch (Exception e) { @@ -91,6 +91,7 @@ profiles { podman.enabled = false shifter.enabled = false charliecloud.enabled = false + channels = ['conda-forge', 'bioconda', 'defaults'] apptainer.enabled = false } mamba { diff --git a/pyproject.toml b/pyproject.toml index 0d62beb6..7d08e1c8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,10 +1,13 @@ -# Config file for Python. Mostly used to configure linting of bin/check_samplesheet.py with Black. +# Config file for Python. Mostly used to configure linting of bin/*.py with Ruff. # Should be kept the same as nf-core/tools to avoid fighting with template synchronisation. -[tool.black] +[tool.ruff] line-length = 120 -target_version = ["py37", "py38", "py39", "py310"] +target-version = "py38" +select = ["I", "E1", "E4", "E7", "E9", "F", "UP", "N"] +cache-dir = "~/.cache/ruff" -[tool.isort] -profile = "black" -known_first_party = ["nf_core"] -multi_line_output = 3 +[tool.ruff.isort] +known-first-party = ["nf_core"] + +[tool.ruff.per-file-ignores] +"__init__.py" = ["E402", "F401"] diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 272371a9..a881e183 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -127,6 +127,13 @@ workflow.onComplete { } } +workflow.onError { + if (workflow.errorReport.contains("Process requirement exceeds available memory")) { + println("🛑 Default resources exceed availability 🛑 ") + println("💡 See here on how to configure pipeline: https://nf-co.re/docs/usage/configuration#tuning-workflow-resources 💡") + } +} + /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ THE END From 0d234aff4dc5322cd6e644e5af1be00da7dba633 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 31 Jan 2024 09:02:38 +0100 Subject: [PATCH 084/168] Fix linting --- modules.json | 75 ++++++++++++++++++++++++++++++++++++++++++++ nextflow.config | 18 +++++------ nextflow_schema.json | 32 +++++++++---------- 3 files changed, 100 insertions(+), 25 deletions(-) diff --git a/modules.json b/modules.json index 37d49ebc..0c0f4120 100644 --- a/modules.json +++ b/modules.json @@ -29,6 +29,81 @@ "branch": "master", "git_sha": "8ec825f465b9c17f9d83000022995b4f7de6fe93", "installed_by": ["modules"] + }, + "custom/tabulartogseagct": { + "branch": "master", + "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "installed_by": ["modules"] + }, + "deseq2/differential": { + "branch": "master", + "git_sha": "9326d73af3fbe2ee90d9ce0a737461a727c5118e", + "installed_by": ["modules"] + }, + "geoquery/getgeo": { + "branch": "master", + "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "installed_by": ["modules"] + }, + "gprofiler2/gost": { + "branch": "master", + "git_sha": "c75e76bff35e2ee5305ebe89b513637b38e79d1d", + "installed_by": ["modules"] + }, + "gsea/gsea": { + "branch": "master", + "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "installed_by": ["modules"] + }, + "gunzip": { + "branch": "master", + "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "installed_by": ["modules"] + }, + "limma/differential": { + "branch": "master", + "git_sha": "9326d73af3fbe2ee90d9ce0a737461a727c5118e", + "installed_by": ["modules"] + }, + "proteus/readproteingroups": { + "branch": "master", + "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "installed_by": ["modules"] + }, + "rmarkdownnotebook": { + "branch": "master", + "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "installed_by": ["modules"] + }, + "shinyngs/app": { + "branch": "master", + "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", + "installed_by": ["modules"] + }, + "shinyngs/staticdifferential": { + "branch": "master", + "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", + "installed_by": ["modules"] + }, + "shinyngs/staticexploratory": { + "branch": "master", + "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", + "installed_by": ["modules"] + }, + "shinyngs/validatefomcomponents": { + "branch": "master", + "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", + "installed_by": ["modules"] + }, + "untar": { + "branch": "master", + "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "installed_by": ["modules"] + }, + "zip": { + "branch": "master", + "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "installed_by": ["modules"] } } }, diff --git a/nextflow.config b/nextflow.config index 603008b5..858efabc 100644 --- a/nextflow.config +++ b/nextflow.config @@ -22,10 +22,10 @@ params { sizefactors_from_controls = false // Reporting - logo_file = "${projectDir}/docs/images/nf-core-differentialabundance_logo_light.png" - css_file = "${projectDir}/assets/nf-core_style.css" - citations_file = "${projectDir}/CITATIONS.md" - report_file = "${projectDir}/assets/differentialabundance_report.Rmd" + logo_file = "docs/images/nf-core-differentialabundance_logo_light.png" + css_file = "assets/nf-core_style.css" + citations_file = "CITATIONS.md" + report_file = "assets/differentialabundance_report.Rmd" report_title = null report_author = null report_contributors = null @@ -70,8 +70,8 @@ params { proteus_palette_name = 'Set1' // Filtering options - filtering_min_samples = 1 - filtering_min_abundance = 1 + filtering_min_samples = 1.0 + filtering_min_abundance = 1.0 filtering_min_proportion = null filtering_grouping_var = null @@ -93,8 +93,8 @@ params { differential_fc_column = "log2FoldChange" differential_pval_column = "pvalue" differential_qval_column = "padj" - differential_min_fold_change = 2 - differential_max_pval = 1 + differential_min_fold_change = 2.0 + differential_max_pval = 1.0 differential_max_qval = 0.05 differential_foldchanges_logged = true differential_palette_name = 'Set1' @@ -130,7 +130,7 @@ params { limma_robust = false limma_winsor_tail_p = '0.05,0.1' limma_adjust_method = "BH" - limma_p_value = 1 + limma_p_value = 1.0 limma_lfc = 0 limma_confint = false diff --git a/nextflow_schema.json b/nextflow_schema.json index 2218d547..9f7b3039 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -84,14 +84,14 @@ }, "affy_cel_files_archive": { "type": "string", - "default": "None", + "default": "null", "description": "Alternative to matrix: a compressed CEL files archive such as often found in GEO", "fa_icon": "fas fa-file-archive", "help_text": "Use this option to provide a raw archive of CEL files from Affymetrix arrays. Will be ignored if a matrix is specified." }, "querygse": { "type": "string", - "default": "None", + "default": "null", "description": "Use SOFT files from GEO by providing the GSE study identifier", "fa_icon": "fas fa-keyboard", "help_text": "Use this option to provide a GSE study identifier." @@ -233,7 +233,7 @@ }, "affy_cdfname": { "type": "string", - "default": "None", + "default": "null", "description": "Used to specify the name of an alternative cdf package. If set to NULL, then the usual cdf package based on Affymetrix' mappings will be used.", "fa_icon": "fas fa-signature" }, @@ -568,7 +568,7 @@ "type": "string", "default": "BH", "description": "`pAdjustMethod` parameter passed to results()", - "help_text": "the method to use for adjusting p-values, see help in R for the p.adjust() function (via ?p.adjust). At time of writing available values were \"holm\", \"hochberg\", \"hommel\", \"bonferroni\", \"BH\", \"BY\", \"fdr\", \"none\".", + "help_text": "the method to use for adjusting p-values, see help in R for the p.adjust() function (via ?p.adjust). At time of writing available values were \"holm\", \"hochberg\", \"hommel\", \"bonferroni\", \"BH\", \"BY\", \"fdr\", \"null\".", "fa_icon": "fas fa-sliders-h" }, "deseq2_alpha": { @@ -637,19 +637,19 @@ }, "limma_spacing": { "type": "string", - "default": "None", + "default": "null", "fa_icon": "fas fa-people-arrows", "description": "passed to lmFit(), positive integer giving the spacing between duplicate occurrences of the same probe, spacing=1 for consecutive rows." }, "limma_block": { "type": "string", - "default": "None", + "default": "null", "fa_icon": "fas fa-cube", "description": "Sample sheet column to be used to derive a vector or factor specifying a blocking variable on the arrays" }, "limma_correlation": { "type": "string", - "default": "None", + "default": "null", "fa_icon": "fas fa-chart-line", "description": "passed to lmFit(), the inter-duplicate or inter-technical replicate correlation" }, @@ -706,7 +706,7 @@ "type": "string", "default": "BH", "description": "passed to topTable(), method used to adjust the p-values for multiple testing.", - "enum": ["holm", "hochberg", "hommel", "bonferroni", "BH", "BY", "fdr", "none"], + "enum": ["holm", "hochberg", "hommel", "bonferroni", "BH", "BY", "fdr", "null"], "fa_icon": "fas fa-hammer" }, "limma_p_value": { @@ -794,8 +794,8 @@ "type": "string", "default": "meandiv", "description": "Normalisation mode", - "enum": ["meandiv", "none"], - "help_text": "Normalization mode. Method used to normalize the enrichment scores across analyzed gene sets: 'meandiv' (default, GSEA normalizes the enrichment scores as described in Normalized Enrichment Score (NES)) OR 'none' (GSEA does not normalize the enrichment scores).\n\nSee 'advanced fields' at https://www.gsea-msigdb.org/gsea/doc/GSEAUserGuideFrame.html?Run_GSEA_Page", + "enum": ["meandiv", "null"], + "help_text": "Normalization mode. Method used to normalize the enrichment scores across analyzed gene sets: 'meandiv' (default, GSEA normalizes the enrichment scores as described in Normalized Enrichment Score (NES)) OR 'null' (GSEA does not normalize the enrichment scores).\n\nSee 'advanced fields' at https://www.gsea-msigdb.org/gsea/doc/GSEAUserGuideFrame.html?Run_GSEA_Page", "fa_icon": "fas fa-align-justify" }, "gsea_rnd_type": { @@ -961,13 +961,13 @@ }, "shinyngs_shinyapps_account": { "type": "string", - "default": "None", + "default": "null", "description": "Your shinyapps.io account name", "fa_icon": "fas fa-user" }, "shinyngs_shinyapps_app_name": { "type": "string", - "default": "None", + "default": "null", "description": "The name of the app to push to in your shinyapps.io account", "fa_icon": "fas fa-file-signature" }, @@ -988,7 +988,7 @@ "properties": { "gene_sets_files": { "type": "string", - "default": "None", + "default": "null", "description": "Gene sets in GMT or GMX-format; for GSEA: multiple comma-separated input files in either format are possible. For gprofiler2: A single file in GMT format is possible; this has lowest priority and will be overridden by --gprofiler2_token and --gprofiler2_organism.", "fa_icon": "fas fa-bars" } @@ -1034,13 +1034,13 @@ }, "report_title": { "type": "string", - "default": "None", + "default": "null", "fa_icon": "fas fa-heading", "description": "A title for reporting outputs" }, "report_author": { "type": "string", - "default": "None", + "default": "null", "fa_icon": "fas fa-user-edit", "description": "An author for reporting outputs" }, @@ -1051,7 +1051,7 @@ }, "report_description": { "type": "string", - "default": "None", + "default": "null", "fa_icon": "fas fa-feather", "description": "A description for reporting outputs" }, From 7b1b365506e9ec9213579184adf81fdc2266bc81 Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Wed, 31 Jan 2024 09:44:35 +0000 Subject: [PATCH 085/168] [automated] Fix linting with Prettier --- .github/workflows/download_pipeline.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/download_pipeline.yml b/.github/workflows/download_pipeline.yml index 8611458a..8a330045 100644 --- a/.github/workflows/download_pipeline.yml +++ b/.github/workflows/download_pipeline.yml @@ -64,4 +64,4 @@ jobs: env: NXF_SINGULARITY_CACHEDIR: ./ NXF_SINGULARITY_HOME_MOUNT: true - run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -stub -profile test,singularity --outdir ./results + run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -stub -profile test,singularity --outdir ./results From 73bb532ccc9ddf01377007a912ae17f546add091 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 31 Jan 2024 14:39:14 +0100 Subject: [PATCH 086/168] Linting in report.Rmd --- assets/differentialabundance_report.Rmd | 1154 +++++++++++------------ 1 file changed, 575 insertions(+), 579 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 2088b628..d81e4515 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -1,157 +1,157 @@ --- output: - html_document: - toc: true # table of contents - toc_float: true # float the table of contents to the left of the main document content - toc_depth: 4 # header levels 1,2,3 - theme: default - number_sections: false # add section numbering to headers - df_print: paged # tables are printed as an html table with support for pagination over rows and columns - highlight: pygments - pdf_document: true - pdf_document: - toc: yes + html_document: + toc: true # table of contents + toc_float: true # float the table of contents to the left of the main document content + toc_depth: 4 # header levels 1,2,3 + theme: default + number_sections: false # add section numbering to headers + df_print: paged # tables are printed as an html table with support for pagination over rows and columns + highlight: pygments + pdf_document: true + pdf_document: + toc: yes date: "`r Sys.Date()`" params: - meta: NULL - input_dir: NULL - artifact_dir: NULL - cpus: 1 - study_type: NULL - study_name: NULL - study_abundance_type: NULL - report_file: NULL, - report_title: NULL, - report_contributors: NULL - report_author: NULL, - report_description: NULL, - report_scree: NULL - report_round_digits: NULL - observations_type: NULL - observations: NULL # GSE156533.samplesheet.csv - observations_id_col: NULL - observations_name_col: NULL - features: NULL - features_type: NULL - features_id_col: NULL - features_name_col: NULL - features_metadata_cols: NULL - features_gtf_feature_type: NULL - features_gtf_table_first_field: NULL - features_log2_assays: NULL - raw_matrix: null # e.g. 0_salmon.merged.gene_counts_length_scaled.tsv - normalised_matrix: null - variance_stabilised_matrix: null # e.g. test_files/3_treatment-WT-P23H.vst.tsv - contrasts_file: null # e.g. GSE156533.contrasts.csv - differential_table: file.csv - proteus_measurecol_prefix: NULL - proteus_norm_function: NULL - proteus_plotsd_method: NULL - proteus_plotmv_loess: NULL - proteus_palette_name: NULL - affy_cel_files_archive: NULL - affy_file_name_col: NULL - affy_background: NULL - affy_bgversion: NULL - affy_destructive: NULL - affy_cdfname: NULL - affy_rm_mask: NULL - affy_rm_outliers: NULL - affy_rm_extra: NULL - affy_build_annotation: NULL - limma_ndups: NULL - limma_spacing: NULL - limma_block: NULL - limma_correlation: NULL - limma_method: NULL - limma_proportion: NULL - limma_stdev_coef_lim: NULL - limma_trend: NULL - limma_robust: NULL - limma_winsor_tail_p: NULL - limma_adjust_method: NULL - limma_p_value: NULL - limma_lfc: NULL - limma_confint: NULL - exploratory_n_features: null - exploratory_clustering_method: null - exploratory_cor_method: null - exploratory_whisker_distance: null - exploratory_mad_threshold: null - exploratory_main_variable: null - exploratory_assay_names: NULL - exploratory_final_assay: NULL - exploratory_palette_name: NULL - versions_file: null # e.g 17_software_versions.yml - logo: null - css: null - citations: null - filtering_min_samples: 1 - filtering_min_abundance: 1 - filtering_min_proportion: NULL - filtering_grouping_var: NULL - differential_file_suffix: NULL - differential_feature_id_column: NULL - differential_feature_name_column: NULL - differential_fc_column: NULL - differential_pval_column: NULL - differential_qval_column: NULL - differential_min_fold_change: NULL - differential_foldchanges_logged: NULL - differential_max_pval: NULL - differential_max_qval: NULL - differential_palette_name: NULL - differential_subset_to_contrast_samples: NULL - deseq2_test: NULL - deseq2_fit_type: NULL - deseq2_sf_type: NULL - deseq2_min_replicates_for_replace: NULL - deseq2_use_t: NULL - deseq2_lfc_threshold: NULL - deseq2_alt_hypothesis: NULL - deseq2_independent_filtering: NULL - deseq2_p_adjust_method: NULL - deseq2_alpha: NULL - deseq2_minmu: NULL - deseq2_vs_method: NULL - deseq2_shrink_lfc: NULL - deseq2_cores: NULL - deseq2_vs_blind: NULL - deseq2_vst_nsub: NULL - gsea_run: false - gsea_nperm: NULL - gsea_permute: NULL - gsea_scoring_scheme: NULL - gsea_metric: NULL - gsea_sort: NULL - gsea_order: NULL - gsea_set_max: NULL - gsea_set_min: NULL - gsea_norm: NULL - gsea_rnd_type: NULL - gsea_make_sets: NULL - gsea_median: NULL - gsea_num: NULL - gsea_plot_top_x: NULL - gsea_rnd_seed: NULL - gsea_save_rnd_lists: NULL - gsea_zip_report: NULL - gsea_chip_file: NULL - gprofiler2_run: false - gprofiler2_organism: NULL - gprofiler2_significant: NULL - gprofiler2_measure_underrepresentation: NULL - gprofiler2_correction_method: NULL - gprofiler2_sources: NULL - gprofiler2_evcodes: NULL - gprofiler2_max_qval: NULL - gprofiler2_token: NULL - gprofiler2_background_file: NULL - gprofiler2_background_column: NULL - gprofiler2_domain_scope: NULL - gprofiler2_min_diff: NULL - gprofiler2_palette_name: NULL - gene_sets_files: NULL + meta: NULL + input_dir: NULL + artifact_dir: NULL + cpus: 1 + study_type: NULL + study_name: NULL + study_abundance_type: NULL + report_file: NULL, + report_title: NULL, + report_contributors: NULL + report_author: NULL, + report_description: NULL, + report_scree: NULL + report_round_digits: NULL + observations_type: NULL + observations: NULL # GSE156533.samplesheet.csv + observations_id_col: NULL + observations_name_col: NULL + features: NULL + features_type: NULL + features_id_col: NULL + features_name_col: NULL + features_metadata_cols: NULL + features_gtf_feature_type: NULL + features_gtf_table_first_field: NULL + features_log2_assays: NULL + raw_matrix: null # e.g. 0_salmon.merged.gene_counts_length_scaled.tsv + normalised_matrix: null + variance_stabilised_matrix: null # e.g. test_files/3_treatment-WT-P23H.vst.tsv + contrasts_file: null # e.g. GSE156533.contrasts.csv + differential_table: file.csv + proteus_measurecol_prefix: NULL + proteus_norm_function: NULL + proteus_plotsd_method: NULL + proteus_plotmv_loess: NULL + proteus_palette_name: NULL + affy_cel_files_archive: NULL + affy_file_name_col: NULL + affy_background: NULL + affy_bgversion: NULL + affy_destructive: NULL + affy_cdfname: NULL + affy_rm_mask: NULL + affy_rm_outliers: NULL + affy_rm_extra: NULL + affy_build_annotation: NULL + limma_ndups: NULL + limma_spacing: NULL + limma_block: NULL + limma_correlation: NULL + limma_method: NULL + limma_proportion: NULL + limma_stdev_coef_lim: NULL + limma_trend: NULL + limma_robust: NULL + limma_winsor_tail_p: NULL + limma_adjust_method: NULL + limma_p_value: NULL + limma_lfc: NULL + limma_confint: NULL + exploratory_n_features: null + exploratory_clustering_method: null + exploratory_cor_method: null + exploratory_whisker_distance: null + exploratory_mad_threshold: null + exploratory_main_variable: null + exploratory_assay_names: NULL + exploratory_final_assay: NULL + exploratory_palette_name: NULL + versions_file: null # e.g 17_software_versions.yml + logo: null + css: null + citations: null + filtering_min_samples: 1 + filtering_min_abundance: 1 + filtering_min_proportion: NULL + filtering_grouping_var: NULL + differential_file_suffix: NULL + differential_feature_id_column: NULL + differential_feature_name_column: NULL + differential_fc_column: NULL + differential_pval_column: NULL + differential_qval_column: NULL + differential_min_fold_change: NULL + differential_foldchanges_logged: NULL + differential_max_pval: NULL + differential_max_qval: NULL + differential_palette_name: NULL + differential_subset_to_contrast_samples: NULL + deseq2_test: NULL + deseq2_fit_type: NULL + deseq2_sf_type: NULL + deseq2_min_replicates_for_replace: NULL + deseq2_use_t: NULL + deseq2_lfc_threshold: NULL + deseq2_alt_hypothesis: NULL + deseq2_independent_filtering: NULL + deseq2_p_adjust_method: NULL + deseq2_alpha: NULL + deseq2_minmu: NULL + deseq2_vs_method: NULL + deseq2_shrink_lfc: NULL + deseq2_cores: NULL + deseq2_vs_blind: NULL + deseq2_vst_nsub: NULL + gsea_run: false + gsea_nperm: NULL + gsea_permute: NULL + gsea_scoring_scheme: NULL + gsea_metric: NULL + gsea_sort: NULL + gsea_order: NULL + gsea_set_max: NULL + gsea_set_min: NULL + gsea_norm: NULL + gsea_rnd_type: NULL + gsea_make_sets: NULL + gsea_median: NULL + gsea_num: NULL + gsea_plot_top_x: NULL + gsea_rnd_seed: NULL + gsea_save_rnd_lists: NULL + gsea_zip_report: NULL + gsea_chip_file: NULL + gprofiler2_run: false + gprofiler2_organism: NULL + gprofiler2_significant: NULL + gprofiler2_measure_underrepresentation: NULL + gprofiler2_correction_method: NULL + gprofiler2_sources: NULL + gprofiler2_evcodes: NULL + gprofiler2_max_qval: NULL + gprofiler2_token: NULL + gprofiler2_background_file: NULL + gprofiler2_background_column: NULL + gprofiler2_domain_scope: NULL + gprofiler2_min_diff: NULL + gprofiler2_palette_name: NULL + gene_sets_files: NULL --- @@ -203,21 +203,21 @@ params_table <- data.frame(Parameter = names(unlist(params)), Value = unlist(par # We'll subset the params table for different report sections make_params_table <- function(name, pattern = NULL, remove_pattern = FALSE){ - subparams <- params_table - if (! is.null(pattern)){ - subparams <- subparams[grep(pattern, subparams$Parameter),] - } - if (remove_pattern){ - subparams$Parameter <- sub(pattern, '', subparams$Parameter) - } - - if (nrow(subparams) > 10){ - dom <- 'tp' - }else{ - dom <- 't' - } - - print( htmltools::tagList(datatable(subparams, caption = paste("Parameters used for", name), rownames = FALSE, options = list(dom = dom)) )) + subparams <- params_table + if (! is.null(pattern)){ + subparams <- subparams[grep(pattern, subparams$Parameter),] + } + if (remove_pattern){ + subparams$Parameter <- sub(pattern, '', subparams$Parameter) + } + + if (nrow(subparams) > 10){ + dom <- 'tp' + }else{ + dom <- 't' + } + + print( htmltools::tagList(datatable(subparams, caption = paste("Parameters used for", name), rownames = FALSE, options = list(dom = dom)) )) } report_title <- paste0('Differential ', params$features_type, ' abundance report', ifelse(is.null(params$report_title), '', paste0(': ', params$report_title))) @@ -246,7 +246,7 @@ htmltools::includeCSS(params$css) cat(paste0(" ")) @@ -257,14 +257,14 @@ cat(paste0(" ```{r, results='asis', echo=F, eval=!is.null(params$report_contributors)} contributors <- gsub("\n", "
", params$report_contributors, fixed = TRUE) contributors <- lapply(simpleSplit(contributors, ";"), function(s) { - splt <- simpleSplit(s, "
") - paste0("**", head(splt, 1), "**
", paste(tail(splt, -1), collapse = "
")) + splt <- simpleSplit(s, "
") + paste0("**", head(splt, 1), "**
", paste(tail(splt, -1), collapse = "
")) }) for (r in seq_along(contributors)) { - if (r %% 2 == 1) cat("
") - cat(paste0("
", contributors[r], "
")) - if (r %% 2 == 0 || r == length(contributors)) cat("
") + if (r %% 2 == 1) cat("
") + cat(paste0("
", contributors[r], "
")) + if (r %% 2 == 0 || r == length(contributors)) cat("
") } ``` @@ -277,16 +277,16 @@ if (! params$observations_name_col %in% colnames(observations)){ } if (! is.null(params$features)){ - features <- read_metadata(file.path(params$input_dir, params$features)) - if (! is.null(params$features_metadata_cols)){ - features <- features[,colnames(features) %in% simpleSplit(params$features_metadata_cols), drop = FALSE] - } + features <- read_metadata(file.path(params$input_dir, params$features)) + if (! is.null(params$features_metadata_cols)){ + features <- features[,colnames(features) %in% simpleSplit(params$features_metadata_cols), drop = FALSE] + } } contrasts <- read_metadata(file.path(params$input_dir, params$contrasts_file)) contrasts$blocking <- na.replace(contrasts$blocking, '') if (! 'id' %in% colnames(contrasts)){ - contrasts$id <- apply(contrasts, 1, paste, collapse='_') + contrasts$id <- apply(contrasts, 1, paste, collapse='_') } # Identify informative variables- those with a number of values greater than 1 @@ -303,20 +303,20 @@ names(assay_names) = assay_names assay_files <- lapply(assay_names, function(x) params[[paste0(x, '_matrix')]]) assay_data <- lapply(assay_files, function(x) { - mat <- na.omit( - read_matrix( - x, - sample_metadata = observations, - row.names = 1 + mat <- na.omit( + read_matrix( + x, + sample_metadata = observations, + row.names = 1 + ) ) - ) - colnames(mat) <- observations[[params$observations_name_col]][match(colnames(mat), rownames(observations))] - mat + colnames(mat) <- observations[[params$observations_name_col]][match(colnames(mat), rownames(observations))] + mat }) if (!is.null(params$features_log2_assays)) { - # Remove brackets from assay list. TODO: remove if this is added to cond_log2_transform_assays - params$features_log2_assays <- gsub('\\]$', '', gsub('^\\[', '', params$features_log2_assays)) + # Remove brackets from assay list. TODO: remove if this is added to cond_log2_transform_assays + params$features_log2_assays <- gsub('\\]$', '', gsub('^\\[', '', params$features_log2_assays)) } assay_data <- cond_log2_transform_assays(assay_data, params$features_log2_assays) @@ -325,7 +325,7 @@ rownames(observations) <- observations[[params$observations_name_col]] # Run PCA early so we can understand how important each variable is pca_datas <- lapply(names(assay_data), function(assay_type){ - compilePCAData(assay_data[[assay_type]]) + compilePCAData(assay_data[[assay_type]]) }) names(pca_datas) <- names(assay_data) @@ -336,14 +336,14 @@ informative_variables <- rownames(pca_vs_meta)[order(pca_vs_meta[,1])] # Pick the variable used for coloring purposes etc if (params$exploratory_main_variable == 'contrasts'){ - main_grouping_variable <- contrasts$variable[1] + main_grouping_variable <- contrasts$variable[1] }else if (params$exploratory_main_variable == 'auto_pca'){ - main_grouping_variable <- informative_variables[1] + main_grouping_variable <- informative_variables[1] }else{ - if (! params$exploratory_main_variable %in% colnames(observations)){ - stop(paste('Invalid main variable specified: ', params$exploratory_main_variable)) - } - main_grouping_variable <- params$exploratory_main_variable + if (! params$exploratory_main_variable %in% colnames(observations)){ + stop(paste('Invalid main variable specified: ', params$exploratory_main_variable)) + } + main_grouping_variable <- params$exploratory_main_variable } # Make sure the main variable is shown first, with remaining shown in order of @@ -367,33 +367,33 @@ treatment-mCherry-hND6-batcheffect.deseq2.results.tsv ```{r, echo=FALSE} differential_files <- lapply(contrasts$id, function(d){ - file.path(params$input_dir, paste0(gsub(' |;', '_', d), params$differential_file_suffix)) + file.path(params$input_dir, paste0(gsub(' |;', '_', d), params$differential_file_suffix)) }) differential_results <- lapply(differential_files, function(diff_file){ - if (! file.exists(diff_file)){ - stop(paste("Differential file", diff_file, "does not exist")) - } - diff <- read_differential( - diff_file, - feature_id_column = params$differential_feature_id_column, - fc_column = params$differential_fc_column, - pval_column = params$differential_pval_column, - qval_column = params$differential_qval_column - ) - - # If fold changes are not logged already, log them (we assume they're logged - # later on) - - if (! params$differential_foldchanges_logged){ - diff[[params$differential_fc_column]] <- log2(diff[[params$differential_fc_column]]) - } - - # Annotate differential tables if possible - if (! is.null(params$features)){ - diff <- merge(features, diff, by.x = params$features_id_col, by.y = params$differential_feature_id_column) - } - diff + if (! file.exists(diff_file)){ + stop(paste("Differential file", diff_file, "does not exist")) + } + diff <- read_differential( + diff_file, + feature_id_column = params$differential_feature_id_column, + fc_column = params$differential_fc_column, + pval_column = params$differential_pval_column, + qval_column = params$differential_qval_column + ) + + # If fold changes are not logged already, log them (we assume they're logged + # later on) + + if (! params$differential_foldchanges_logged){ + diff[[params$differential_fc_column]] <- log2(diff[[params$differential_fc_column]]) + } + + # Annotate differential tables if possible + if (! is.null(params$features)){ + diff <- merge(features, diff, by.x = params$features_id_col, by.y = params$differential_feature_id_column) + } + diff }) names(differential_results) <- contrasts$id ``` @@ -405,18 +405,18 @@ names(differential_results) <- contrasts$id # Function to make friendly contrast name from contrast components, including optional bits name_contrast <- function(i){ - contrast_name <- paste(contrasts$target[i], 'versus', contrasts$reference[i], 'in', contrasts$variable[i]) - contrast_vals <- contrasts[i,] - populated <- colnames(contrasts)[! (is.na(contrast_vals) | contrast_vals == '' | is.null(contrast_vals))] - optional <- setdiff(populated, c('id', 'target', 'reference', 'variable')) - - if (length(optional) > 0){ - optional_part <- paste0('(', paste(paste(optional, contrasts[i,optional], sep=': '), collapse=', '), ')') - }else{ - optional_part <- '' - } - - paste(contrast_name, optional_part) + contrast_name <- paste(contrasts$target[i], 'versus', contrasts$reference[i], 'in', contrasts$variable[i]) + contrast_vals <- contrasts[i,] + populated <- colnames(contrasts)[! (is.na(contrast_vals) | contrast_vals == '' | is.null(contrast_vals))] + optional <- setdiff(populated, c('id', 'target', 'reference', 'variable')) + + if (length(optional) > 0){ + optional_part <- paste0('(', paste(paste(optional, contrasts[i,optional], sep=': '), collapse=', '), ')') + }else{ + optional_part <- '' + } + + paste(contrast_name, optional_part) } contrast_descriptions <- unlist(lapply(1:nrow(contrasts), function(x) name_contrast(x))) @@ -426,27 +426,27 @@ contrast_descriptions <- unlist(lapply(1:nrow(contrasts), function(x) name_contr p_value_types <- list(Adjusted = params$differential_qval_column, Unadjusted = params$differential_pval_column) p_value_thresholds <- list(Adjusted = params$differential_max_qval, Unadjusted = params$differential_max_pval) -sig_differential <- - lapply(names(p_value_types), function(pvt){ - diff <- lapply( - 1:nrow(contrasts), - function(x){ - signif <- differential_results[[x]][,p_value_types[[pvt]] ] < p_value_thresholds[[pvt]] - list( - up = differential_results[[x]][which( - differential_results[[x]][,params$differential_fc_column ] > log2(params$differential_min_fold_change) & - signif - ),], - down = differential_results[[x]][which( - differential_results[[x]][,params$differential_fc_column ] < log2(1/params$differential_min_fold_change) & - signif - ),] - ) - } - ) - names(diff) <- contrast_descriptions - diff - }) +sig_differential <- + lapply(names(p_value_types), function(pvt){ + diff <- lapply( + 1:nrow(contrasts), + function(x){ + signif <- differential_results[[x]][,p_value_types[[pvt]] ] < p_value_thresholds[[pvt]] + list( + up = differential_results[[x]][which( + differential_results[[x]][,params$differential_fc_column ] > log2(params$differential_min_fold_change) & + signif + ),], + down = differential_results[[x]][which( + differential_results[[x]][,params$differential_fc_column ] < log2(1/params$differential_min_fold_change) & + signif + ),] + ) + } + ) + names(diff) <- contrast_descriptions + diff + }) names(sig_differential) <- names(p_value_types) # Count the differential genes @@ -458,7 +458,7 @@ names(differential_tables) <- names(sig_differential) # Abstract -This report summarises differential `r params$features_type` analysis as performed by the nf-core/differentialabundance pipeline. +This report summarises differential `r params$features_type` analysis as performed by the nf-core/differentialabundance pipeline. # Data @@ -476,9 +476,9 @@ minimal_fetchngs_cols <- c('sample', 'sample_title', 'strandedness', 'library_st # If the data came via fetchngs then we can infer a couple of things about the most useful columns if (all(minimal_fetchngs_cols %in% colnames(observations))){ - additional_useful_cols <- minimal_fetchngs_cols + additional_useful_cols <- minimal_fetchngs_cols }else{ - additional_useful_cols <- colnames(observations)[which(apply(observations, 2, function(x) max(nchar(x))) <= 20)] + additional_useful_cols <- colnames(observations)[which(apply(observations, 2, function(x) max(nchar(x))) <= 20)] } display_columns <- head(union(display_columns, additional_useful_cols), 5) @@ -501,13 +501,13 @@ colnames(contrasts_to_print) <- prettifyVariablename(colnames(contrasts_to_print # Add design/model formulae to report de_tool <- ifelse(params$study_type %in% c('rnaseq'), "deseq2", "limma") contrasts_to_print$model <- sapply(contrasts_to_print$Id, function(id) { - model_file <- paste0(id, ".", de_tool, ".model.txt") - if (file.exists(model_file)) { - first_line <- readLines(model_file, n = 1) - return(first_line) - } else { - return(NA) - } + model_file <- paste0(id, ".", de_tool, ".model.txt") + if (file.exists(model_file)) { + first_line <- readLines(model_file, n = 1) + return(first_line) + } else { + return(NA) + } }) print( htmltools::tagList(datatable(contrasts_to_print, caption = paste0("Table of contrasts"), rownames = FALSE, options = list(dom = 't')) )) @@ -525,22 +525,18 @@ Input was a matrix of `r nrow(assay_data$raw)` `r params$features_type`s for `r The following plots show the abundance value distributions of input matrices. A log2 transformation is applied where not already performed. -```{r, include=FALSE} - -``` - #### Box plots ```{r, echo=FALSE, results='asis', fig.height=8} p <- ggplot_boxplot( - assay_data, - experiment = observations, - colorby = main_grouping_variable, - expressiontype = paste("count per", params$features_type), - palette = groupColorScale, - whisker_distance = params$exploratory_whisker_distance, - base_size=8 + assay_data, + experiment = observations, + colorby = main_grouping_variable, + expressiontype = paste("count per", params$features_type), + palette = groupColorScale, + whisker_distance = params$exploratory_whisker_distance, + base_size=8 ) print(p) ``` @@ -551,11 +547,11 @@ Whiskers in the above boxplots show `r params$exploratory_whisker_distance` time ```{r, echo=FALSE, results='asis', fig.height=8} plotly_densityplot( - assay_data, - experiment = observations, - colorby = params$observations_name_col, - expressiontype = paste("count per", params$features_type), - makeColorScale(length(unique(observations[[params$observations_id_col]])), palette = "Set1") + assay_data, + experiment = observations, + colorby = params$observations_name_col, + expressiontype = paste("count per", params$features_type), + makeColorScale(length(unique(observations[[params$observations_id_col]])), palette = "Set1") ) ``` @@ -565,62 +561,62 @@ cat(paste0("\n### ", ucfirst(params$observations_type), " relationships\n")) #### Principal components plots {.tabset} -Principal components analysis was conducted based on the `r params$exploratory_n_features` most variable `r params$features_type`s. Each component was annotated with its percent contribution to variance. +Principal components analysis was conducted based on the `r params$exploratory_n_features` most variable `r params$features_type`s. Each component was annotated with its percent contribution to variance. ```{r, echo=FALSE, results='asis'} # Create nested list to save the percentVars for reusing in the scree plot percentVar_list <- list() for (assay_type in rev(names(assay_data))){ - - pca_data <- pca_datas[[assay_type]] - for (iv in informative_variables){ - - cat(paste0("\n##### ", prettifyVariablename(assay_type), " (", iv, ")\n")) - - plotdata <- pca_data$coords - plotdata$colorby <- factor( - observations[[iv]], - levels = unique(observations[[iv]]) - ) - pcaColorScale <- makeColorScale(length(unique(observations[[iv]])), palette = params$exploratory_palette_name) - - # Make plotting data combining PCA coords with coloring groups etc - - plotdata$name <- rownames(plotdata) - percentVar <- pca_data$percentVar - labels <- paste0(colnames(plotdata), " (", sprintf("%.1f", percentVar), "%)") - ncats <- length(unique(plotdata$colorby)) - - plot_types <- list("2" = "scatter", "3" = "scatter3d") - - for (d in names(plot_types)) { - - # Default plot args whatever we're doing - - plot_args <- list( - x = pca_data$coords[, 1], - y = pca_data$coords[, 2], - xlab = labels[1], - ylab = labels[2], - colorby = plotdata$colorby, - plot_type = plot_types[[d]], - palette = pcaColorScale, - legend_title = prettifyVariablename(iv), - labels = plotdata$name, - show_labels = TRUE - ) - - if (d == "3") { - plot_args$z <- pca_data$coords[, 3] - plot_args$zlab <- labels[3] - } - - print(htmltools::tagList(do.call("plotly_scatterplot", plot_args))) - } - if (! assay_type %in% names(percentVar_list)){ - percentVar_list[[assay_type]] <- percentVar + + pca_data <- pca_datas[[assay_type]] + for (iv in informative_variables){ + + cat(paste0("\n##### ", prettifyVariablename(assay_type), " (", iv, ")\n")) + + plotdata <- pca_data$coords + plotdata$colorby <- factor( + observations[[iv]], + levels = unique(observations[[iv]]) + ) + pcaColorScale <- makeColorScale(length(unique(observations[[iv]])), palette = params$exploratory_palette_name) + + # Make plotting data combining PCA coords with coloring groups etc + + plotdata$name <- rownames(plotdata) + percentVar <- pca_data$percentVar + labels <- paste0(colnames(plotdata), " (", sprintf("%.1f", percentVar), "%)") + ncats <- length(unique(plotdata$colorby)) + + plot_types <- list("2" = "scatter", "3" = "scatter3d") + + for (d in names(plot_types)) { + + # Default plot args whatever we're doing + + plot_args <- list( + x = pca_data$coords[, 1], + y = pca_data$coords[, 2], + xlab = labels[1], + ylab = labels[2], + colorby = plotdata$colorby, + plot_type = plot_types[[d]], + palette = pcaColorScale, + legend_title = prettifyVariablename(iv), + labels = plotdata$name, + show_labels = TRUE + ) + + if (d == "3") { + plot_args$z <- pca_data$coords[, 3] + plot_args$zlab <- labels[3] + } + + print(htmltools::tagList(do.call("plotly_scatterplot", plot_args))) + } + if (! assay_type %in% names(percentVar_list)){ + percentVar_list[[assay_type]] <- percentVar + } } - } } ``` @@ -630,19 +626,19 @@ cat(paste0("\nThe following scree plot visualizes what percentage of total varia #iv <- informative_variables[1] for (assay_type in names(percentVar_list)) { - percentVarData <- data.frame(percentVar_list[[assay_type]]) - colnames(percentVarData) <- c("var_explained") - percentVarData$PCA <- as.numeric(rownames(percentVarData)) - cat(paste0("\n##### ", prettifyVariablename(assay_type), "\n")) - print( - ggplot(percentVarData, aes(x=factor(PCA),y=var_explained, group=1)) + - theme_bw() + - geom_point(size=4) + - geom_line(linetype="dashed") + - xlab("PC") + - ylab("Percent variance explained") - ) - cat("\n") + percentVarData <- data.frame(percentVar_list[[assay_type]]) + colnames(percentVarData) <- c("var_explained") + percentVarData$PCA <- as.numeric(rownames(percentVarData)) + cat(paste0("\n##### ", prettifyVariablename(assay_type), "\n")) + print( + ggplot(percentVarData, aes(x=factor(PCA),y=var_explained, group=1)) + + theme_bw() + + geom_point(size=4) + + geom_line(linetype="dashed") + + xlab("PC") + + ylab("Percent variance explained") + ) + cat("\n") } ``` @@ -657,68 +653,68 @@ The resulting p values are illustrated below. # This is a little hack to work around a bug in d3heatmap with single-row data # frames. if (nrow(pca_vs_meta) == 1){ - plot_pca_meta <- rbind(pca_vs_meta, pca_vs_meta) + plot_pca_meta <- rbind(pca_vs_meta, pca_vs_meta) }else{ - plot_pca_meta <- pca_vs_meta + plot_pca_meta <- pca_vs_meta } d3heatmap::d3heatmap( - -log10(plot_pca_meta), - Rowv = FALSE, - dendrogram = 'none', - cellnote = plot_pca_meta, - cexCol = 0.8, - cexRow = 0.8, - height = (100 + (15 * nrow(plot_pca_meta))), - colors = colorRampPalette( - rev( - RColorBrewer::brewer.pal(n = 7, name = "RdYlBu") - ) - )(100) + -log10(plot_pca_meta), + Rowv = FALSE, + dendrogram = 'none', + cellnote = plot_pca_meta, + cexCol = 0.8, + cexRow = 0.8, + height = (100 + (15 * nrow(plot_pca_meta))), + colors = colorRampPalette( + rev( + RColorBrewer::brewer.pal(n = 7, name = "RdYlBu") + ) + )(100) ) for (variable in rownames(pca_vs_meta)){ - sig_comps <- pca_vs_meta[variable,] < 0.1 - - if (any(sig_comps)){ - min_sig_comp <- min(which(sig_comps)) - - min_sig_comp_p <- sprintf("%.2f", pca_vs_meta[variable, min_sig_comp]) - cat(paste0('The variable \'', variable, '\' shows an association with ', colnames(pca_vs_meta)[min_sig_comp], ' (p = ', min_sig_comp_p,'). ')) - } + sig_comps <- pca_vs_meta[variable,] < 0.1 + + if (any(sig_comps)){ + min_sig_comp <- min(which(sig_comps)) + + min_sig_comp_p <- sprintf("%.2f", pca_vs_meta[variable, min_sig_comp]) + cat(paste0('The variable \'', variable, '\' shows an association with ', colnames(pca_vs_meta)[min_sig_comp], ' (p = ', min_sig_comp_p,'). ')) + } } ``` #### Clustering dendrograms {.tabset} -A hierarchical clustering of `r params$features_type`s was undertaken based on `r ifelse(params$exploratory_n_features == -1, paste0("all ", params$features_type), paste0("the ", params$exploratory_n_features, " most variable ", params$features_type))`s. Distances between `r params$features_type`s were estimated based on `r params$exploratory_cor_method` correlation, which were then used to produce a clustering via the `r params$exploratory_clustering_method` method with `hclust()` in R. +A hierarchical clustering of `r params$features_type`s was undertaken based on `r ifelse(params$exploratory_n_features == -1, paste0("all ", params$features_type), paste0("the ", params$exploratory_n_features, " most variable ", params$features_type))`s. Distances between `r params$features_type`s were estimated based on `r params$exploratory_cor_method` correlation, which were then used to produce a clustering via the `r params$exploratory_clustering_method` method with `hclust()` in R. ```{r, echo=FALSE, results='asis'} for (assay_type in rev(names(assay_data))){ - for (iv in informative_variables){ - cat(paste0("\n##### ", prettifyVariablename(assay_type), " (", iv, ")\n")) - variable_genes <- selectVariableGenes(matrix = assay_data[[assay_type]], ntop = ifelse(params$exploratory_n_features == -1, nrow(assay_data[[assay_type]]), params$exploratory_n_features)) - - dendroColorScale <- makeColorScale(length(unique(observations[[iv]])), palette = params$exploratory_palette_name) - p <- clusteringDendrogram( - 2^assay_data[[assay_type]][variable_genes, ], - observations[, iv, drop = FALSE], - colorby = iv, - cor_method = params$exploratory_cor_method, - plot_title = paste0( - paste0(params$observations_type," clustering dendrogram, "), - ifelse(params$exploratory_n_features == -1, nrow(assay_data[[assay_type]]), paste0(params$exploratory_n_features, " most variable")), " ", - params$features_type, - "s\n(", params$exploratory_clustering_method, " clustering, ", params$exploratory_cor_method, " correlation)"), - cluster_method = params$exploratory_clustering_method, - palette = dendroColorScale, - labelspace = 0.25 - ) - # Defaults in shinyngs make the text in this plot a bit big for the report, so - # scale it down a bit - print(p, vp=grid::viewport(gp=grid::gpar(cex=0.7))) - cat("\n") - } + for (iv in informative_variables){ + cat(paste0("\n##### ", prettifyVariablename(assay_type), " (", iv, ")\n")) + variable_genes <- selectVariableGenes(matrix = assay_data[[assay_type]], ntop = ifelse(params$exploratory_n_features == -1, nrow(assay_data[[assay_type]]), params$exploratory_n_features)) + + dendroColorScale <- makeColorScale(length(unique(observations[[iv]])), palette = params$exploratory_palette_name) + p <- clusteringDendrogram( + 2^assay_data[[assay_type]][variable_genes, ], + observations[, iv, drop = FALSE], + colorby = iv, + cor_method = params$exploratory_cor_method, + plot_title = paste0( + paste0(params$observations_type," clustering dendrogram, "), + ifelse(params$exploratory_n_features == -1, nrow(assay_data[[assay_type]]), paste0(params$exploratory_n_features, " most variable")), " ", + params$features_type, + "s\n(", params$exploratory_clustering_method, " clustering, ", params$exploratory_cor_method, " correlation)"), + cluster_method = params$exploratory_clustering_method, + palette = dendroColorScale, + labelspace = 0.25 + ) + # Defaults in shinyngs make the text in this plot a bit big for the report, so + # scale it down a bit + print(p, vp=grid::viewport(gp=grid::gpar(cex=0.7))) + cat("\n") + } } ``` @@ -734,40 +730,40 @@ if (any(iv_min_group_sizes > 2)){ } foo <- lapply(informative_variables[iv_min_group_sizes > 2], function(iv){ - - cat(paste("\n####", iv, "\n")) - - plotdata <- - madScore( - matrix = assay_data[[params$exploratory_final_assay]], - sample_sheet = observations, - groupby = iv - ) - - if (! is.null(plotdata)){ - mad_plot_args <- list( - x = plotdata$group, - y = plotdata$mad, - color = plotdata$outlier, - hline_thresholds = c("Outlier threshold" = params$exploratory_mad_threshold), - palette = makeColorScale(2, palette = params$differential_palette_name), - legend_title = "Outlier status", - labels = rownames(plotdata), - show_labels = TRUE, - xlab = "Sample group", - ylab = "MAD score" - ) - print(htmltools::tagList(do.call("plotly_scatterplot", mad_plot_args))) + cat(paste("\n####", iv, "\n")) - outliers <- rownames(plotdata)[plotdata$outlier] + plotdata <- + madScore( + matrix = assay_data[[params$exploratory_final_assay]], + sample_sheet = observations, + groupby = iv + ) - if (length(outliers) == 0){ - cat(paste0("No outlying samples were detected in groups defined by ", iv,".\n")) - }else{ - cat(paste0(length(outliers), ' possible outliers were detected in groups defined by ', iv ,': ', paste(outliers, collapse=', '), "\n")) + if (! is.null(plotdata)){ + mad_plot_args <- list( + x = plotdata$group, + y = plotdata$mad, + color = plotdata$outlier, + hline_thresholds = c("Outlier threshold" = params$exploratory_mad_threshold), + palette = makeColorScale(2, palette = params$differential_palette_name), + legend_title = "Outlier status", + labels = rownames(plotdata), + show_labels = TRUE, + xlab = "Sample group", + ylab = "MAD score" + ) + + print(htmltools::tagList(do.call("plotly_scatterplot", mad_plot_args))) + + outliers <- rownames(plotdata)[plotdata$outlier] + + if (length(outliers) == 0){ + cat(paste0("No outlying samples were detected in groups defined by ", iv,".\n")) + }else{ + cat(paste0(length(outliers), ' possible outliers were detected in groups defined by ', iv ,': ', paste(outliers, collapse=', '), "\n")) + } } - } }) ``` @@ -784,26 +780,26 @@ cat(paste0( ```{r, echo=FALSE, results='asis'} foo <- lapply(names(p_value_types), function(pvt){ - cat("\n#### ", pvt, "\n") - print( htmltools::tagList(datatable(differential_tables[[pvt]], caption = paste0('Differential ', params$features_type, " ", params$abundance_type, ' (target relative to reference)'), options = list(dom = 't'), rownames = TRUE) )) - cat("\n") + cat("\n#### ", pvt, "\n") + print( htmltools::tagList(datatable(differential_tables[[pvt]], caption = paste0('Differential ', params$features_type, " ", params$abundance_type, ' (target relative to reference)'), options = list(dom = 't'), rownames = TRUE) )) + cat("\n") }) ``` ```{r, echo=FALSE, results='asis', eval = FALSE} differential_summary_string <- paste( - paste( - lapply( - 1:nrow(contrasts), - function(x){ - paste0( - "Contrast ", x, ' (', contrast_descriptions[x], ') ', "had ", differential_table[x,'up'], ' ', paste0(params$features_type, 's'), ' expressed significantly more highly in ', contrasts[x, 'target',], ' than ', contrasts[x, 'reference',], ' and ', differential_table[x,'down'], ' expressed at sifnificantly lower levels.' - ) - } - ), - collapse = ' ' - ) + paste( + lapply( + 1:nrow(contrasts), + function(x){ + paste0( + "Contrast ", x, ' (', contrast_descriptions[x], ') ', "had ", differential_table[x,'up'], ' ', paste0(params$features_type, 's'), ' expressed significantly more highly in ', contrasts[x, 'target',], ' than ', contrasts[x, 'reference',], ' and ', differential_table[x,'down'], ' expressed at sifnificantly lower levels.' + ) + } + ), + collapse = ' ' + ) ) cat(differential_summary_string) ``` @@ -812,92 +808,92 @@ cat(differential_summary_string) ```{r, echo=FALSE, results='asis'} for (i in 1:nrow(contrasts)){ - cat("\n#### ", contrast_descriptions[i], " {.tabset}\n") - - ## Make a volcano plot for the contrast first - - # Label features with symbol as well as identifier - if (! is.null(params$features) && (! is.null(params$differential_feature_name_column)) ){ - label_col <- params$differential_feature_name_column - }else{ - label_col <- params$differential_feature_id_column - } - - # Get the full set of differential stats for this contrast, removing rows with - # NAs in the fields we need. - full_de <- differential_results[[i]] - full_de <- subset(full_de, (! is.na(full_de[[params$differential_fc_column]])) & (! is.na(full_de[[params$differential_qval_colum]])) ) - - # We'll color by whether features are differential according to supplied thresholds - - p_value_types <- list(Adjusted = params$differential_qval_column, Unadjusted = params$differential_pval_column) - p_value_thresholds <- list(Adjusted = params$differential_max_qval, Unadjusted = params$differential_max_pval) - - for (pvt in names(p_value_types)){ - cat("\n##### ", pvt, " p values\n") - pval_column <- p_value_types[[pvt]] - - - de_fc <- abs(full_de[[params$differential_fc_column]]) >= log2(params$differential_min_fold_change) - de_fc_label <- paste("abs(logFC) >=", log2(params$differential_min_fold_change)) - - de_pval <- full_de[[pval_column]] <= p_value_thresholds[[pvt]] - de_pval_label <- paste(pvt, "<=", p_value_thresholds[[pvt]]) - - de_pval_fc_label <- paste(de_fc_label, '&', de_pval_label) - - full_de$differential_status <- "Not significant" - full_de$differential_status[de_fc] <- de_fc_label - full_de$differential_status[de_pval] <- de_pval_label - full_de$differential_status[de_fc & de_pval] <- de_pval_fc_label - full_de$differential_status <- factor(full_de$differential_status, levels = c("Not significant", de_fc_label, de_pval_label, de_pval_fc_label), ordered = TRUE) # Factorize status so that non-significant is always first - # Define the thresholds we'll draw - - hline_thresholds = vline_thresholds = list() - hline_thresholds[[paste(pval_column, '=', p_value_thresholds[[pvt]])]] = -log10(p_value_thresholds[[pvt]]) - vline_thresholds[[paste(params$differential_fc_column, '<=', log2(params$differential_min_fold_change))]] = -log2(params$differential_min_fold_change) - vline_thresholds[[paste(params$differential_fc_column, '>=', log2(params$differential_min_fold_change))]] = log2(params$differential_min_fold_change) - - palette_volcano <- append(c('#999999'), makeColorScale(3, params$differential_palette_name)) # set non-significant to gray - - plot_args <- list( - x = full_de[[params$differential_fc_column]], - y = -log10(full_de[[pval_column]]), - colorby = full_de$differential_status, - ylab = paste("-log(10)", pval_column), - xlab = xlabel <- paste("higher in", contrasts$reference[i], " <<", params$differential_fc_column, ">> higher in", contrasts$target[i]), - labels = full_de[[label_col]], - hline_thresholds = hline_thresholds, - vline_thresholds = vline_thresholds, - show_labels = FALSE, - legend_title = "Differential status", - palette = palette_volcano - ) - - # Let's equalize the axes - max_fc <- max(abs(full_de[[params$differential_fc_column]])) * 1.1 - p <- do.call(plotly_scatterplot, plot_args) %>% - layout(xaxis = list(range=list(-max_fc, max_fc))) - - print(htmltools::tagList(p)) - - ## ... then show tables of the up/ down genes - - for (dir in c('up', 'down')){ - contrast_de <- sig_differential[[pvt]][[i]][[dir]] - cols_to_round <- c(params$differential_fc_column, params$differential_pval_column, params$differential_qval_column) - contrast_de[, cols_to_round] <- signif(contrast_de[, cols_to_round], 8) - - colnames(contrast_de) <- prettifyVariablename(colnames(contrast_de)) - - if (nrow(contrast_de) > 0){ - contrast_de <- round_dataframe_columns(contrast_de, digits=params$report_round_digits) - print( htmltools::tagList(datatable(contrast_de, caption = paste('Differential genes', dir, 'in', contrast_descriptions[i], " (check", differential_files[[i]], "for more detail)"), rownames = FALSE) )) - }else{ - cat(paste0("No significantly differential '", dir, "' genes.\n\n")) - } + cat("\n#### ", contrast_descriptions[i], " {.tabset}\n") + + ## Make a volcano plot for the contrast first + + # Label features with symbol as well as identifier + if (! is.null(params$features) && (! is.null(params$differential_feature_name_column)) ){ + label_col <- params$differential_feature_name_column + }else{ + label_col <- params$differential_feature_id_column + } + + # Get the full set of differential stats for this contrast, removing rows with + # NAs in the fields we need. + full_de <- differential_results[[i]] + full_de <- subset(full_de, (! is.na(full_de[[params$differential_fc_column]])) & (! is.na(full_de[[params$differential_qval_colum]])) ) + + # We'll color by whether features are differential according to supplied thresholds + + p_value_types <- list(Adjusted = params$differential_qval_column, Unadjusted = params$differential_pval_column) + p_value_thresholds <- list(Adjusted = params$differential_max_qval, Unadjusted = params$differential_max_pval) + + for (pvt in names(p_value_types)){ + cat("\n##### ", pvt, " p values\n") + pval_column <- p_value_types[[pvt]] + + + de_fc <- abs(full_de[[params$differential_fc_column]]) >= log2(params$differential_min_fold_change) + de_fc_label <- paste("abs(logFC) >=", log2(params$differential_min_fold_change)) + + de_pval <- full_de[[pval_column]] <= p_value_thresholds[[pvt]] + de_pval_label <- paste(pvt, "<=", p_value_thresholds[[pvt]]) + + de_pval_fc_label <- paste(de_fc_label, '&', de_pval_label) + + full_de$differential_status <- "Not significant" + full_de$differential_status[de_fc] <- de_fc_label + full_de$differential_status[de_pval] <- de_pval_label + full_de$differential_status[de_fc & de_pval] <- de_pval_fc_label + full_de$differential_status <- factor(full_de$differential_status, levels = c("Not significant", de_fc_label, de_pval_label, de_pval_fc_label), ordered = TRUE) # Factorize status so that non-significant is always first + # Define the thresholds we'll draw + + hline_thresholds = vline_thresholds = list() + hline_thresholds[[paste(pval_column, '=', p_value_thresholds[[pvt]])]] = -log10(p_value_thresholds[[pvt]]) + vline_thresholds[[paste(params$differential_fc_column, '<=', log2(params$differential_min_fold_change))]] = -log2(params$differential_min_fold_change) + vline_thresholds[[paste(params$differential_fc_column, '>=', log2(params$differential_min_fold_change))]] = log2(params$differential_min_fold_change) + + palette_volcano <- append(c('#999999'), makeColorScale(3, params$differential_palette_name)) # set non-significant to gray + + plot_args <- list( + x = full_de[[params$differential_fc_column]], + y = -log10(full_de[[pval_column]]), + colorby = full_de$differential_status, + ylab = paste("-log(10)", pval_column), + xlab = xlabel <- paste("higher in", contrasts$reference[i], " <<", params$differential_fc_column, ">> higher in", contrasts$target[i]), + labels = full_de[[label_col]], + hline_thresholds = hline_thresholds, + vline_thresholds = vline_thresholds, + show_labels = FALSE, + legend_title = "Differential status", + palette = palette_volcano + ) + + # Let's equalize the axes + max_fc <- max(abs(full_de[[params$differential_fc_column]])) * 1.1 + p <- do.call(plotly_scatterplot, plot_args) %>% + layout(xaxis = list(range=list(-max_fc, max_fc))) + + print(htmltools::tagList(p)) + + ## ... then show tables of the up/ down genes + + for (dir in c('up', 'down')){ + contrast_de <- sig_differential[[pvt]][[i]][[dir]] + cols_to_round <- c(params$differential_fc_column, params$differential_pval_column, params$differential_qval_column) + contrast_de[, cols_to_round] <- signif(contrast_de[, cols_to_round], 8) + + colnames(contrast_de) <- prettifyVariablename(colnames(contrast_de)) + + if (nrow(contrast_de) > 0){ + contrast_de <- round_dataframe_columns(contrast_de, digits=params$report_round_digits) + print( htmltools::tagList(datatable(contrast_de, caption = paste('Differential genes', dir, 'in', contrast_descriptions[i], " (check", differential_files[[i]], "for more detail)"), rownames = FALSE) )) + }else{ + cat(paste0("No significantly differential '", dir, "' genes.\n\n")) + } + } } - } } ``` @@ -906,56 +902,56 @@ for (i in 1:nrow(contrasts)){ ```{r, echo=FALSE, results='asis'} possible_gene_set_methods <- c('gsea', 'gprofiler2') if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ - cat("\n### Gene set analysis\n") - - for (gene_set_method in possible_gene_set_methods){ - if (unlist(params[paste0(gene_set_method, '_run')])){ - cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") - if (gene_set_method == 'gsea') { - for (gmt_file in simpleSplit(params$gene_sets_files)) { - gmt_name <- basename(tools::file_path_sans_ext(gmt_file)) - cat("\n##### ", gmt_name ," {.tabset}\n") - - reference_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$reference, '.tsv') - target_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$target, '.tsv') - for (i in 1:nrow(contrasts)){ - cat("\n###### ", contrast_descriptions[i], "\n") - target_gsea_results <- read_metadata(target_gsea_tables[i])[,c(-2,-3)] - target_gsea_results <- round_dataframe_columns(target_gsea_results, digits=params$report_round_digits) - print( htmltools::tagList(datatable(target_gsea_results, caption = paste0("\nTarget (", contrasts$target[i], ")\n"), rownames = FALSE) )) - ref_gsea_results <- read_metadata(reference_gsea_tables[i])[,c(-2,-3)] - ref_gsea_results <- round_dataframe_columns(ref_gsea_results, digits=params$report_round_digits) - print( htmltools::tagList(datatable(ref_gsea_results, caption = paste0("\nReference (", contrasts$reference[i], ")\n"), rownames = FALSE) )) - } + cat("\n### Gene set analysis\n") + + for (gene_set_method in possible_gene_set_methods){ + if (unlist(params[paste0(gene_set_method, '_run')])){ + cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") + if (gene_set_method == 'gsea') { + for (gmt_file in simpleSplit(params$gene_sets_files)) { + gmt_name <- basename(tools::file_path_sans_ext(gmt_file)) + cat("\n##### ", gmt_name ," {.tabset}\n") + + reference_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$reference, '.tsv') + target_gsea_tables <- paste0(contrasts$id, ".", gmt_name, '.gsea_report_for_', contrasts$target, '.tsv') + for (i in 1:nrow(contrasts)){ + cat("\n###### ", contrast_descriptions[i], "\n") + target_gsea_results <- read_metadata(target_gsea_tables[i])[,c(-2,-3)] + target_gsea_results <- round_dataframe_columns(target_gsea_results, digits=params$report_round_digits) + print( htmltools::tagList(datatable(target_gsea_results, caption = paste0("\nTarget (", contrasts$target[i], ")\n"), rownames = FALSE) )) + ref_gsea_results <- read_metadata(reference_gsea_tables[i])[,c(-2,-3)] + ref_gsea_results <- round_dataframe_columns(ref_gsea_results, digits=params$report_round_digits) + print( htmltools::tagList(datatable(ref_gsea_results, caption = paste0("\nReference (", contrasts$reference[i], ")\n"), rownames = FALSE) )) + } + } + + } else if (gene_set_method == 'gprofiler2') { + + cat(paste0("\nThis section contains the results tables of the pathway analysis which was done with the R package gprofiler2. The differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", + ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <= ", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) + + # Make sure to grab only non-empty files + for (i in 1:nrow(contrasts)) { + cat(paste0("\n##### ", contrasts$id[i], "\n")) + + table <- paste0(contrasts$id[i], ".gprofiler2.all_enriched_pathways.tsv") + table_path <- file.path(params$input_dir, table) + if (!file.exists(table_path) || file.size(table_path) == 0){ + cat(paste0("No ", ifelse(params$gprofiler2_significant, "significantly", ""), " enriched pathways were found for this contrast.")) + } else { + all_enriched <- read.table(table_path, header=T, sep="\t", quote="\"") + all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, + "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, + "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), + "Adjusted p value" = all_enriched$p_value, check.names = FALSE) + all_enriched <- round_dataframe_columns(all_enriched, digits=params$report_round_digits) + print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrasts$id[i], " (check", table, "for more detail)"), rownames = FALSE))) + } + cat("\n") + } } - - } else if (gene_set_method == 'gprofiler2') { - - cat(paste0("\nThis section contains the results tables of the pathway analysis which was done with the R package gprofiler2. The differential fraction is the number of differential genes in a pathway divided by that pathway's size, i.e. the number of genes annotated for the pathway.", - ifelse(params$gprofiler2_significant, paste0(" Enrichment was only considered if significant, i.e. adjusted p-value <= ", params$gprofiler2_max_qval, "."), "Enrichment was also considered if not significant."), "\n")) - - # Make sure to grab only non-empty files - for (i in 1:nrow(contrasts)) { - cat(paste0("\n##### ", contrasts$id[i], "\n")) - - table <- paste0(contrasts$id[i], ".gprofiler2.all_enriched_pathways.tsv") - table_path <- file.path(params$input_dir, table) - if (!file.exists(table_path) || file.size(table_path) == 0){ - cat(paste0("No ", ifelse(params$gprofiler2_significant, "significantly", ""), " enriched pathways were found for this contrast.")) - } else { - all_enriched <- read.table(table_path, header=T, sep="\t", quote="\"") - all_enriched <- data.frame("Pathway name" = all_enriched$term_name, "Pathway code" = all_enriched$term_id, - "Differential features" = all_enriched$intersection_size, "Pathway size" = all_enriched$term_size, - "Differential fraction" = (all_enriched$intersection_size/all_enriched$term_size), - "Adjusted p value" = all_enriched$p_value, check.names = FALSE) - all_enriched <- round_dataframe_columns(all_enriched, digits=params$report_round_digits) - print(htmltools::tagList(datatable(all_enriched, caption = paste('Enriched pathways in', contrasts$id[i], " (check", table, "for more detail)"), rownames = FALSE))) - } - cat("\n") } - } } - } } ``` @@ -976,17 +972,17 @@ make_params_table('feature-wise filtering', 'filtering_', remove_pattern = TRUE) filtering_string <- paste0('Filtering was carried out by selecting ', params$features_type, 's with an abundance of at least ', params$filtering_min_abundance) if (is.null(params$filtering_grouping_var)){ - if (is.null(params$filtering_min_proportion)){ - filtering_string <- paste0(filtering_string, ' in at least ', params$filtering_min_samples, ' ', params$observations_type, 's.') - }else{ - filtering_string <- paste0(filtering_string, ' in at least a proportion of ', params$filtering_min_proportion, ' of ', params$observations_type,'s.') - } + if (is.null(params$filtering_min_proportion)){ + filtering_string <- paste0(filtering_string, ' in at least ', params$filtering_min_samples, ' ', params$observations_type, 's.') + }else{ + filtering_string <- paste0(filtering_string, ' in at least a proportion of ', params$filtering_min_proportion, ' of ', params$observations_type,'s.') + } }else{ - if (is.null(params$filtering_min_proportion)){ - filtering_string <- paste0(filtering_string, ' in at least the number of ', params$observations_type, 's corresponding to the smallest group size defined by the grouping variable "', params$filtering_grouping_var, '".') - }else{ - filtering_string <- paste0(filtering_string, ' in at least a proportion of ', params$filtering_min_proportion, ' of the number of ', params$observations_type,'s corresponding to the smallest group size defined by the grouping variable"', params$filtering_grouping_var, '".') - } + if (is.null(params$filtering_min_proportion)){ + filtering_string <- paste0(filtering_string, ' in at least the number of ', params$observations_type, 's corresponding to the smallest group size defined by the grouping variable "', params$filtering_grouping_var, '".') + }else{ + filtering_string <- paste0(filtering_string, ' in at least a proportion of ', params$filtering_min_proportion, ' of the number of ', params$observations_type,'s corresponding to the smallest group size defined by the grouping variable"', params$filtering_grouping_var, '".') + } } cat(filtering_string) ``` @@ -1002,7 +998,7 @@ make_params_table('exploratory analysis', 'exploratory_', remove_pattern = TRUE) ```{r, echo=FALSE, results='asis'} if (params$study_type == 'rnaseq'){ - make_params_table('DESeq2', 'deseq2_', remove_pattern = TRUE) + make_params_table('DESeq2', 'deseq2_', remove_pattern = TRUE) } make_params_table('downstream differential analysis', 'differential_', remove_pattern = TRUE) ``` @@ -1013,14 +1009,14 @@ make_params_table('downstream differential analysis', 'differential_', remove_pa possible_gene_set_methods <- c('gsea', 'gprofiler2') if (any(unlist(params[paste0(possible_gene_set_methods, '_run')]))){ - cat("\n### Gene set analysis\n") + cat("\n### Gene set analysis\n") - for (gene_set_method in possible_gene_set_methods){ - if (unlist(params[paste0(gene_set_method, '_run')])){ - cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") - make_params_table(toupper(gene_set_method), paste0(gene_set_method, '_'), remove_pattern = TRUE) + for (gene_set_method in possible_gene_set_methods){ + if (unlist(params[paste0(gene_set_method, '_run')])){ + cat("\n#### ", toupper(gene_set_method) ," {.tabset}\n") + make_params_table(toupper(gene_set_method), paste0(gene_set_method, '_'), remove_pattern = TRUE) + } } - } } ``` From 95ad529093fe9f107f64e10fc3432517982a341d Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 31 Jan 2024 14:45:15 +0100 Subject: [PATCH 087/168] More linting, changelog update --- CHANGELOG.md | 1 + nextflow.config | 1 - workflows/differentialabundance.nf | 4 ++-- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 2b103da7..cd7aa2a8 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#228](https://github.com/nf-core/differentialabundance/pull/228)] - Template update for nf-core/tools v2.12 ([@nf-core-bot](https://github.com/nf-core-bot), review by [@pinin4fjords](https://github.com/pinin4fjords), [@WackerO](https://github.com/WackerO)) - [[#222](https://github.com/nf-core/differentialabundance/pull/222)] - Add rounding to all numeric report tables ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#219](https://github.com/nf-core/differentialabundance/pull/219)] - Template update for nf-core/tools v2.11.1 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#197](https://github.com/nf-core/differentialabundance/pull/197)] - Add contributor info to report ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) diff --git a/nextflow.config b/nextflow.config index 858efabc..214473cb 100644 --- a/nextflow.config +++ b/nextflow.config @@ -209,7 +209,6 @@ params { custom_config_base = "https://raw.githubusercontent.com/nf-core/configs/${params.custom_config_version}" config_profile_contact = null config_profile_url = null - // Max resource options // Defaults only, expecting to be overwritten diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 2b5658f7..4c1b2d67 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -518,9 +518,9 @@ workflow DIFFERENTIALABUNDANCE { // normalised matrix, which can be passed through to downstream analysis if(params.study_type == "geo_soft_file") { - ch_mat = ch_norm + ch_mat = ch_norm }else{ - ch_mat = ch_raw.combine(ch_processed_matrices) + ch_mat = ch_raw.combine(ch_processed_matrices) } ch_all_matrices = VALIDATOR.out.sample_meta // meta, samples From b9ce2d633aaa144babd7735931dcde4dc9cb70ac Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Fri, 2 Feb 2024 10:34:25 +0000 Subject: [PATCH 088/168] Fix prettier issues --- .devcontainer/devcontainer.json | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/.devcontainer/devcontainer.json b/.devcontainer/devcontainer.json index 4a9bc5c7..4ecfbfe3 100644 --- a/.devcontainer/devcontainer.json +++ b/.devcontainer/devcontainer.json @@ -18,11 +18,11 @@ "python.linting.flake8Path": "/opt/conda/bin/flake8", "python.linting.pycodestylePath": "/opt/conda/bin/pycodestyle", "python.linting.pydocstylePath": "/opt/conda/bin/pydocstyle", - "python.linting.pylintPath": "/opt/conda/bin/pylint", + "python.linting.pylintPath": "/opt/conda/bin/pylint" }, // Add the IDs of extensions you want installed when the container is created. - "extensions": ["ms-python.python", "ms-python.vscode-pylance", "nf-core.nf-core-extensionpack"], - }, - }, + "extensions": ["ms-python.python", "ms-python.vscode-pylance", "nf-core.nf-core-extensionpack"] + } + } } From c28c1018e8ecec1b73bc93ac1669382ef9217014 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 8 Feb 2024 08:31:33 +0100 Subject: [PATCH 089/168] GSEA update --- CHANGELOG.md | 1 + modules.json | 2 +- modules/nf-core/gsea/gsea/environment.yml | 1 + modules/nf-core/gsea/gsea/main.nf | 4 ++-- modules/nf-core/gsea/gsea/meta.yml | 2 +- 5 files changed, 6 insertions(+), 4 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index cd7aa2a8..49736ab7 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -14,6 +14,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#231](https://github.com/nf-core/differentialabundance/pull/231) - Update GSEA module to fix butterfly plot bug ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#226](https://github.com/nf-core/differentialabundance/pull/226) - Fix DESEQ2_NORM in modules.config ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#221](https://github.com/nf-core/differentialabundance/pull/221) - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) - [[#223](https://github.com/nf-core/differentialabundance/pull/223)] - tabulartogseacls fixes ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) diff --git a/modules.json b/modules.json index 0c0f4120..75f6a7ea 100644 --- a/modules.json +++ b/modules.json @@ -52,7 +52,7 @@ }, "gsea/gsea": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "7aa7ced253469386f0645133ec3e838098dbe67c", "installed_by": ["modules"] }, "gunzip": { diff --git a/modules/nf-core/gsea/gsea/environment.yml b/modules/nf-core/gsea/gsea/environment.yml index 3158f736..cb3c41e7 100644 --- a/modules/nf-core/gsea/gsea/environment.yml +++ b/modules/nf-core/gsea/gsea/environment.yml @@ -1,3 +1,4 @@ +name: gsea_gsea channels: - conda-forge - bioconda diff --git a/modules/nf-core/gsea/gsea/main.nf b/modules/nf-core/gsea/gsea/main.nf index 17f4a2e8..6a060c46 100644 --- a/modules/nf-core/gsea/gsea/main.nf +++ b/modules/nf-core/gsea/gsea/main.nf @@ -2,7 +2,7 @@ process GSEA_GSEA { tag "$meta.id" label 'process_single' - conda 'modules/nf-core/gsea/gsea/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/gsea:4.3.2--hdfd78af_0': 'biocontainers/gsea:4.3.2--hdfd78af_0' }" @@ -22,11 +22,11 @@ process GSEA_GSEA { tuple val(meta), path("*gsea_report_for_${target}.html") , emit: report_htmls_target tuple val(meta), path("*ranked_gene_list*.tsv") , emit: ranked_gene_list tuple val(meta), path("*gene_set_sizes.tsv") , emit: gene_set_sizes - tuple val(meta), path("*butterfly_plot.png") , emit: butterfly_plot tuple val(meta), path("*global_es_histogram.png") , emit: histogram tuple val(meta), path("*heat_map_1.png") , emit: heatmap tuple val(meta), path("*pvalues_vs_nes_plot.png") , emit: pvalues_vs_nes_plot tuple val(meta), path("*ranked_list_corr_2.png") , emit: ranked_list_corr + tuple val(meta), path("*butterfly_plot.png") , emit: butterfly_plot, optional: true tuple val(meta), path("*[!gene_set_size|gsea_report|ranked_gene_list]*.tsv"), emit: gene_set_tsv, optional: true tuple val(meta), path("*[!gsea_report|heat_map_corr_plot|index|pos_snapshot|neg_snapshot]*.html"), emit: gene_set_html, optional: true tuple val(meta), path("*[!butterfly|enplot|global_es_histogram|gset_rnd_es_dist|heat_map|pvalues_vs_nes_plot|ranked_list_corr]*.png"), emit: gene_set_heatmap, optional: true diff --git a/modules/nf-core/gsea/gsea/meta.yml b/modules/nf-core/gsea/gsea/meta.yml index 0ff81518..fe2d4c95 100644 --- a/modules/nf-core/gsea/gsea/meta.yml +++ b/modules/nf-core/gsea/gsea/meta.yml @@ -11,7 +11,7 @@ tools: homepage: "http://www.gsea-msigdb.org/gsea/index.jsp" documentation: "https://software.broadinstitute.org/cancer/software/gsea/wiki/index.php/Main_Page" doi: "10.1073/pnas.0506580102" - licence: "['BSD-3-clause']" + licence: ["BSD-3-clause"] input: - meta: type: map From ca4c9672284138d9b934f5f52d0db9a94dc929cb Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 8 Feb 2024 09:57:36 +0100 Subject: [PATCH 090/168] Mention missing dots in volcano plot, change rounding, turn off rounding by default --- CHANGELOG.md | 2 ++ assets/differentialabundance_report.Rmd | 8 ++------ conf/test.config | 1 + nextflow.config | 2 +- nextflow_schema.json | 2 +- 5 files changed, 7 insertions(+), 8 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 49736ab7..c8663f7c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -24,6 +24,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` +- [[#232](https://github.com/nf-core/differentialabundance/pull/232)] - Mention missing dots in volcano plot, change rounding, turn off rounding by default ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) + ## v1.4.0 - 2023-11-27 ### `Added` diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index d81e4515..ed0e9653 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -176,11 +176,7 @@ round_dataframe_columns <- function(df, columns = NULL, digits = -1) { if (is.null(columns)) { columns <- colnames(df)[(unlist(lapply(df, is.numeric), use.names=F))] # extract only numeric columns for rounding } - - df[,columns] <- round( - data.frame(df[, columns], check.names = FALSE), - digits = digits - ) + df[,columns] <- format(df[,columns], scientific=T, digits=params$report_round_digits) # Convert columns back to numeric @@ -772,7 +768,7 @@ foo <- lapply(informative_variables[iv_min_group_sizes > 2], function(iv){ ```{r, echo=FALSE, results='asis', eval=params$study_type %in% c('rnaseq')} # For DESeq2, add some more explanation to the report cat(paste0( -"The `DESeq2 R` package was used for differential analysis. p-values were adjusted with the ", params$deseq2_p_adjust_method, " method to reduce the number of false positives. ", ucfirst(params$features_type), "s were considered differential if, for the respective contrast, the adjusted p-value was equal to or lower than ", params$deseq2_alpha, " and the absolute log2 fold change was equal to or higher than ", params$deseq2_lfc_threshold, "." +"The `DESeq2 R` package was used for differential analysis. p-values were adjusted with the ", params$deseq2_p_adjust_method, " method to reduce the number of false positives. ", ucfirst(params$features_type), "s were considered differential if, for the respective contrast, the adjusted p-value was equal to or lower than ", params$deseq2_alpha, " and the absolute log2 fold change was equal to or higher than ", params$deseq2_lfc_threshold, ". Please note that for very small p-values, dots may not appear in the volcano plots. You can find these values in the tables instead." )) ``` diff --git a/conf/test.config b/conf/test.config index 2a7929f4..4d4e9454 100644 --- a/conf/test.config +++ b/conf/test.config @@ -50,5 +50,6 @@ params { gene_sets_files = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/mus_musculus/gene_set_analysis/mh.all.v2022.1.Mm.symbols.gmt' // Report options + report_round_digits = 3 report_contributors = 'Jane Doe\nDirector of Institute of Microbiology\nUniversity of Smallville;John Smith\nPhD student\nInstitute of Microbiology\nUniversity of Smallville' } diff --git a/nextflow.config b/nextflow.config index 214473cb..ec4e0e3b 100644 --- a/nextflow.config +++ b/nextflow.config @@ -31,7 +31,7 @@ params { report_contributors = null report_description = null report_scree = true - report_round_digits = 4 + report_round_digits = -1 // Sample sheet options observations_type = 'sample' diff --git a/nextflow_schema.json b/nextflow_schema.json index 9f7b3039..a60d556d 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1062,7 +1062,7 @@ }, "report_round_digits": { "type": "integer", - "default": 4, + "default": -1, "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", "help_text": "This affects output from the following modules (both their tabular output and their result sections in the report): proteus, gprofiler2." } From 0d1832e762b2af7809c1d21fffbcd51e8d27fcef Mon Sep 17 00:00:00 2001 From: WackerO Date: Mon, 12 Feb 2024 08:57:05 +0100 Subject: [PATCH 091/168] Changed 0 pval warning --- assets/differentialabundance_report.Rmd | 13 +++++++++---- 1 file changed, 9 insertions(+), 4 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index ed0e9653..1c509001 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -176,8 +176,7 @@ round_dataframe_columns <- function(df, columns = NULL, digits = -1) { if (is.null(columns)) { columns <- colnames(df)[(unlist(lapply(df, is.numeric), use.names=F))] # extract only numeric columns for rounding } - df[,columns] <- format(df[,columns], scientific=T, digits=params$report_round_digits) - + df[,columns] <- format(data.frame(df[, columns], check.names = FALSE), scientific=T, digits=params$report_round_digits) # Convert columns back to numeric for (c in columns) { @@ -768,7 +767,7 @@ foo <- lapply(informative_variables[iv_min_group_sizes > 2], function(iv){ ```{r, echo=FALSE, results='asis', eval=params$study_type %in% c('rnaseq')} # For DESeq2, add some more explanation to the report cat(paste0( -"The `DESeq2 R` package was used for differential analysis. p-values were adjusted with the ", params$deseq2_p_adjust_method, " method to reduce the number of false positives. ", ucfirst(params$features_type), "s were considered differential if, for the respective contrast, the adjusted p-value was equal to or lower than ", params$deseq2_alpha, " and the absolute log2 fold change was equal to or higher than ", params$deseq2_lfc_threshold, ". Please note that for very small p-values, dots may not appear in the volcano plots. You can find these values in the tables instead." +"The `DESeq2 R` package was used for differential analysis. p-values were adjusted with the ", params$deseq2_p_adjust_method, " method to reduce the number of false positives. ", ucfirst(params$features_type), "s were considered differential if, for the respective contrast, the adjusted p-value was equal to or lower than ", params$deseq2_alpha, " and the absolute log2 fold change was equal to or higher than ", params$deseq2_lfc_threshold, "." )) ``` @@ -829,7 +828,6 @@ for (i in 1:nrow(contrasts)){ cat("\n##### ", pvt, " p values\n") pval_column <- p_value_types[[pvt]] - de_fc <- abs(full_de[[params$differential_fc_column]]) >= log2(params$differential_min_fold_change) de_fc_label <- paste("abs(logFC) >=", log2(params$differential_min_fold_change)) @@ -868,6 +866,13 @@ for (i in 1:nrow(contrasts)){ # Let's equalize the axes max_fc <- max(abs(full_de[[params$differential_fc_column]])) * 1.1 + + # Print warning if any p values are 0 + zero_p <- length(which(full_de[[pval_column]]==0)) + if (zero_p) { + cat(paste0("", zero_p, " feature", ifelse(zero_p>1, "s are", " is"), " not shown because of p value = 0; please refer to the results tables.

")) + } + p <- do.call(plotly_scatterplot, plot_args) %>% layout(xaxis = list(range=list(-max_fc, max_fc))) From 3af76f2ab6a98495f502ac6b32aba26961b16d94 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 13 Feb 2024 09:17:11 +0000 Subject: [PATCH 092/168] Add note on scaling --- docs/usage.md | 18 ++++++++++++++++++ 1 file changed, 18 insertions(+) diff --git a/docs/usage.md b/docs/usage.md index 3f9ca78b..b35088c7 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -328,6 +328,24 @@ work # Directory containing the nextflow working files - If you don't like the colors used in the report, try a different `RColorBrewer` palette by changing the `exploratory_palette_name` and/or `differential_palette_name` parameters. - In rare cases, some users have reported issues with DESeq2 using all available cores on a machine, rather than those specified in the process configuration. This can be prevented by setting the `OPENBLAS_NUM_THREADS` environment variable. +### Scaling up to large sample numbers + +#### Deactivating reporting processes + +A number of workflow steps are not optimised to deal with large sample numbers and will cause the overall workflow to fail. If you have sample numbers on the order of 100s or more, you should disable these processes like: + +``` +process { + withName:'PLOT_EXPLORATORY|PLOT_DIFFERENTIAL|RMARKDOWNNOTEBOOK|MAKE_REPORT_BUNDLE'{ + ext.when = false + } +} +``` + +#### Restricting samples considered by DESeq2 or Limma + +By default, the DESeq2 or Limma differential modules model all samples at once, rather than just the samples involved in the contrast. This is usually the correct thing to do, but when there are are large numbers of samples involved in each contrast it may be unnecessary, and things can be sped up significantly by setting `--differential_subset_to_contrast_samples`. This will remove any samples not relevant to the contrast before the main differential analysis routines are called. + ### Params files If you wish to repeatedly use the same parameters for multiple runs, rather than specifying each flag in the command, you can specify these in a params file. From f08fcdbb7b6282e51f6a4412444e83dfc01e20c3 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 13 Feb 2024 09:19:32 +0000 Subject: [PATCH 093/168] extend scaling note --- docs/usage.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/docs/usage.md b/docs/usage.md index b35088c7..4c352cab 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -342,6 +342,8 @@ process { } ``` +You will not get the final reporting outcomes of the workflow, but you will get the differential tables produced by DESeq2 or Limma, and the results of any gene seta analysis you have enabled. + #### Restricting samples considered by DESeq2 or Limma By default, the DESeq2 or Limma differential modules model all samples at once, rather than just the samples involved in the contrast. This is usually the correct thing to do, but when there are are large numbers of samples involved in each contrast it may be unnecessary, and things can be sped up significantly by setting `--differential_subset_to_contrast_samples`. This will remove any samples not relevant to the contrast before the main differential analysis routines are called. From e5f2ee39bd2e78a59e7a99210680d3a83702b8dc Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 13 Feb 2024 09:38:38 +0000 Subject: [PATCH 094/168] Prettier --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index 4c352cab..cf1e4ced 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -346,7 +346,7 @@ You will not get the final reporting outcomes of the workflow, but you will get #### Restricting samples considered by DESeq2 or Limma -By default, the DESeq2 or Limma differential modules model all samples at once, rather than just the samples involved in the contrast. This is usually the correct thing to do, but when there are are large numbers of samples involved in each contrast it may be unnecessary, and things can be sped up significantly by setting `--differential_subset_to_contrast_samples`. This will remove any samples not relevant to the contrast before the main differential analysis routines are called. +By default, the DESeq2 or Limma differential modules model all samples at once, rather than just the samples involved in the contrast. This is usually the correct thing to do, but when there are are large numbers of samples involved in each contrast it may be unnecessary, and things can be sped up significantly by setting `--differential_subset_to_contrast_samples`. This will remove any samples not relevant to the contrast before the main differential analysis routines are called. ### Params files From b38d216fbda0aea62e4714383c80a8c0f8594c87 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 13 Feb 2024 09:56:11 +0000 Subject: [PATCH 095/168] Also disable shinyngs at scale --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index cf1e4ced..b5f9f3d9 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -336,7 +336,7 @@ A number of workflow steps are not optimised to deal with large sample numbers a ``` process { - withName:'PLOT_EXPLORATORY|PLOT_DIFFERENTIAL|RMARKDOWNNOTEBOOK|MAKE_REPORT_BUNDLE'{ + withName:'PLOT_EXPLORATORY|PLOT_DIFFERENTIAL|RMARKDOWNNOTEBOOK|MAKE_REPORT_BUNDLE|SHINYNGS_APP'{ ext.when = false } } From ce772ded1b6d6ee6d4db120456440df80cb7c9a5 Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Tue, 20 Feb 2024 15:28:04 +0000 Subject: [PATCH 096/168] Template update for nf-core/tools version 2.13 --- .editorconfig | 9 +- .github/workflows/awsfulltest.yml | 4 +- .github/workflows/awstest.yml | 4 +- .github/workflows/branch.yml | 2 +- .github/workflows/ci.yml | 7 +- .github/workflows/clean-up.yml | 2 +- .github/workflows/download_pipeline.yml | 17 +- .github/workflows/linting.yml | 12 +- .github/workflows/linting_comment.yml | 4 +- .github/workflows/release-announcements.yml | 11 +- README.md | 5 +- assets/multiqc_config.yml | 2 + assets/schema_input.json | 21 +- bin/check_samplesheet.py | 259 ----------- conf/modules.config | 8 - lib/NfcoreTemplate.groovy | 356 -------------- lib/Utils.groovy | 47 -- lib/WorkflowDifferentialabundance.groovy | 122 ----- lib/WorkflowMain.groovy | 77 --- main.nf | 100 ++-- modules.json | 28 +- modules/local/samplesheet_check.nf | 31 -- .../dumpsoftwareversions/environment.yml | 7 - .../custom/dumpsoftwareversions/main.nf | 24 - .../custom/dumpsoftwareversions/meta.yml | 37 -- .../templates/dumpsoftwareversions.py | 102 ---- .../dumpsoftwareversions/tests/main.nf.test | 43 -- .../tests/main.nf.test.snap | 33 -- .../dumpsoftwareversions/tests/tags.yml | 2 - modules/nf-core/fastqc/tests/main.nf.test | 14 +- .../nf-core/fastqc/tests/main.nf.test.snap | 76 ++- modules/nf-core/multiqc/environment.yml | 2 +- modules/nf-core/multiqc/main.nf | 4 +- modules/nf-core/multiqc/tests/main.nf.test | 13 +- .../nf-core/multiqc/tests/main.nf.test.snap | 32 +- nextflow.config | 5 +- nextflow_schema.json | 1 + pyproject.toml | 8 +- subworkflows/local/input_check.nf | 44 -- .../main.nf | 247 ++++++++++ .../nf-core/utils_nextflow_pipeline/main.nf | 126 +++++ .../nf-core/utils_nextflow_pipeline/meta.yml | 38 ++ .../tests/main.function.nf.test | 54 +++ .../tests/main.function.nf.test.snap | 12 + .../tests/main.workflow.nf.test | 123 +++++ .../tests/nextflow.config | 9 + .../utils_nextflow_pipeline/tests/tags.yml | 2 + .../nf-core/utils_nfcore_pipeline/main.nf | 440 ++++++++++++++++++ .../nf-core/utils_nfcore_pipeline/meta.yml | 24 + .../tests/main.function.nf.test | 134 ++++++ .../tests/main.function.nf.test.snap | 138 ++++++ .../tests/main.workflow.nf.test | 29 ++ .../tests/main.workflow.nf.test.snap | 15 + .../tests/nextflow.config | 9 + .../utils_nfcore_pipeline/tests/tags.yml | 2 + .../nf-core/utils_nfvalidation_plugin/main.nf | 62 +++ .../utils_nfvalidation_plugin/meta.yml | 44 ++ .../tests/main.nf.test | 200 ++++++++ .../tests/nextflow_schema.json | 96 ++++ .../utils_nfvalidation_plugin/tests/tags.yml | 2 + workflows/differentialabundance.nf | 133 ++---- 61 files changed, 2108 insertions(+), 1406 deletions(-) delete mode 100755 bin/check_samplesheet.py delete mode 100755 lib/NfcoreTemplate.groovy delete mode 100644 lib/Utils.groovy delete mode 100755 lib/WorkflowDifferentialabundance.groovy delete mode 100755 lib/WorkflowMain.groovy delete mode 100644 modules/local/samplesheet_check.nf delete mode 100644 modules/nf-core/custom/dumpsoftwareversions/environment.yml delete mode 100644 modules/nf-core/custom/dumpsoftwareversions/main.nf delete mode 100644 modules/nf-core/custom/dumpsoftwareversions/meta.yml delete mode 100755 modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py delete mode 100644 modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test delete mode 100644 modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap delete mode 100644 modules/nf-core/custom/dumpsoftwareversions/tests/tags.yml delete mode 100644 subworkflows/local/input_check.nf create mode 100644 subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf create mode 100644 subworkflows/nf-core/utils_nextflow_pipeline/main.nf create mode 100644 subworkflows/nf-core/utils_nextflow_pipeline/meta.yml create mode 100644 subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test create mode 100644 subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap create mode 100644 subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test create mode 100644 subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config create mode 100644 subworkflows/nf-core/utils_nextflow_pipeline/tests/tags.yml create mode 100644 subworkflows/nf-core/utils_nfcore_pipeline/main.nf create mode 100644 subworkflows/nf-core/utils_nfcore_pipeline/meta.yml create mode 100644 subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test create mode 100644 subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap create mode 100644 subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test create mode 100644 subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test.snap create mode 100644 subworkflows/nf-core/utils_nfcore_pipeline/tests/nextflow.config create mode 100644 subworkflows/nf-core/utils_nfcore_pipeline/tests/tags.yml create mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/main.nf create mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml create mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test create mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json create mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml diff --git a/.editorconfig b/.editorconfig index 9b990088..dd9ffa53 100644 --- a/.editorconfig +++ b/.editorconfig @@ -18,7 +18,12 @@ end_of_line = unset insert_final_newline = unset trim_trailing_whitespace = unset indent_style = unset -indent_size = unset +[/subworkflows/nf-core/**] +charset = unset +end_of_line = unset +insert_final_newline = unset +trim_trailing_whitespace = unset +indent_style = unset [/assets/email*] indent_size = unset @@ -28,5 +33,5 @@ indent_size = unset indent_style = unset # ignore python -[*.{py}] +[*.{py,md}] indent_style = unset diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index aa6416ec..ced07de3 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -14,7 +14,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Launch workflow via tower - uses: seqeralabs/action-tower-launch@v2 + uses: seqeralabs/action-tower-launch@922e5c8d5ac4e918107ec311d2ebbd65e5982b3d # v2 # TODO nf-core: You can customise AWS full pipeline tests as required # Add full size test data (but still relatively small datasets for few samples) # on the `test_full.config` test runs with only one set of parameters @@ -31,7 +31,7 @@ jobs: } profiles: test_full - - uses: actions/upload-artifact@v4 + - uses: actions/upload-artifact@5d5d22a31266ced268874388b861e4b58bb5c2f3 # v4 with: name: Tower debug log file path: | diff --git a/.github/workflows/awstest.yml b/.github/workflows/awstest.yml index ed9b65e7..1dcd9946 100644 --- a/.github/workflows/awstest.yml +++ b/.github/workflows/awstest.yml @@ -12,7 +12,7 @@ jobs: steps: # Launch workflow using Tower CLI tool action - name: Launch workflow via tower - uses: seqeralabs/action-tower-launch@v2 + uses: seqeralabs/action-tower-launch@922e5c8d5ac4e918107ec311d2ebbd65e5982b3d # v2 with: workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }} access_token: ${{ secrets.TOWER_ACCESS_TOKEN }} @@ -25,7 +25,7 @@ jobs: } profiles: test - - uses: actions/upload-artifact@v4 + - uses: actions/upload-artifact@5d5d22a31266ced268874388b861e4b58bb5c2f3 # v4 with: name: Tower debug log file path: | diff --git a/.github/workflows/branch.yml b/.github/workflows/branch.yml index a9e58e43..22e2a53a 100644 --- a/.github/workflows/branch.yml +++ b/.github/workflows/branch.yml @@ -19,7 +19,7 @@ jobs: # NOTE - this doesn't currently work if the PR is coming from a fork, due to limitations in GitHub actions secrets - name: Post PR comment if: failure() - uses: mshick/add-pr-comment@v2 + uses: mshick/add-pr-comment@b8f338c590a895d50bcbfa6c5859251edc8952fc # v2 with: message: | ## This PR is against the `master` branch :x: diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index ae422884..3f2ad2f4 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -28,13 +28,16 @@ jobs: - "latest-everything" steps: - name: Check out pipeline code - uses: actions/checkout@v4 + uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4 - name: Install Nextflow - uses: nf-core/setup-nextflow@v1 + uses: nf-core/setup-nextflow@b9f764e8ba5c76b712ace14ecbfcef0e40ae2dd8 # v1 with: version: "${{ matrix.NXF_VER }}" + - name: Disk space cleanup + uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 + - name: Run pipeline with test data # TODO nf-core: You can customise CI pipeline run tests as required # For example: adding multiple test runs with different parameters diff --git a/.github/workflows/clean-up.yml b/.github/workflows/clean-up.yml index e37cfda5..0b6b1f27 100644 --- a/.github/workflows/clean-up.yml +++ b/.github/workflows/clean-up.yml @@ -10,7 +10,7 @@ jobs: issues: write pull-requests: write steps: - - uses: actions/stale@v9 + - uses: actions/stale@28ca1036281a5e5922ead5184a1bbf96e5fc984e # v9 with: stale-issue-message: "This issue has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor. Remove stale label or add a comment otherwise this issue will be closed in 20 days." stale-pr-message: "This PR has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor. Remove stale label or add a comment if it is still useful." diff --git a/.github/workflows/download_pipeline.yml b/.github/workflows/download_pipeline.yml index 8611458a..f823210d 100644 --- a/.github/workflows/download_pipeline.yml +++ b/.github/workflows/download_pipeline.yml @@ -6,6 +6,11 @@ name: Test successful pipeline download with 'nf-core download' # - the head branch of the pull request is updated, i.e. if fixes for a release are pushed last minute to dev. on: workflow_dispatch: + inputs: + testbranch: + description: "The specific branch you wish to utilize for the test execution of nf-core download." + required: true + default: "dev" pull_request: types: - opened @@ -23,13 +28,13 @@ jobs: runs-on: ubuntu-latest steps: - name: Install Nextflow - uses: nf-core/setup-nextflow@v1 + uses: nf-core/setup-nextflow@b9f764e8ba5c76b712ace14ecbfcef0e40ae2dd8 # v1 - - uses: actions/setup-python@v5 + - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5 with: python-version: "3.11" architecture: "x64" - - uses: eWaterCycle/setup-singularity@v7 + - uses: eWaterCycle/setup-singularity@931d4e31109e875b13309ae1d07c70ca8fbc8537 # v7 with: singularity-version: 3.8.3 @@ -42,13 +47,13 @@ jobs: run: | echo "REPO_LOWERCASE=${GITHUB_REPOSITORY,,}" >> ${GITHUB_ENV} echo "REPOTITLE_LOWERCASE=$(basename ${GITHUB_REPOSITORY,,})" >> ${GITHUB_ENV} - echo "REPO_BRANCH=${GITHUB_REF#refs/heads/}" >> ${GITHUB_ENV} + echo "REPO_BRANCH=${{ github.event.inputs.testbranch || 'dev' }}" >> ${GITHUB_ENV} - name: Download the pipeline env: NXF_SINGULARITY_CACHEDIR: ./ run: | - nf-core download ${{ env.REPO_LOWERCASE }} \ + nf-core download ${{ env.REPO_LOWERCASE }} \ --revision ${{ env.REPO_BRANCH }} \ --outdir ./${{ env.REPOTITLE_LOWERCASE }} \ --compress "none" \ @@ -64,4 +69,4 @@ jobs: env: NXF_SINGULARITY_CACHEDIR: ./ NXF_SINGULARITY_HOME_MOUNT: true - run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -stub -profile test,singularity --outdir ./results + run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -stub -profile test,singularity --outdir ./results diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index 81cd098e..748b4311 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -14,10 +14,10 @@ jobs: pre-commit: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v4 + - uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4 - name: Set up Python 3.11 - uses: actions/setup-python@v5 + uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5 with: python-version: 3.11 cache: "pip" @@ -32,12 +32,12 @@ jobs: runs-on: ubuntu-latest steps: - name: Check out pipeline code - uses: actions/checkout@v4 + uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4 - name: Install Nextflow - uses: nf-core/setup-nextflow@v1 + uses: nf-core/setup-nextflow@b9f764e8ba5c76b712ace14ecbfcef0e40ae2dd8 # v1 - - uses: actions/setup-python@v5 + - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5 with: python-version: "3.11" architecture: "x64" @@ -60,7 +60,7 @@ jobs: - name: Upload linting log file artifact if: ${{ always() }} - uses: actions/upload-artifact@v4 + uses: actions/upload-artifact@5d5d22a31266ced268874388b861e4b58bb5c2f3 # v4 with: name: linting-logs path: | diff --git a/.github/workflows/linting_comment.yml b/.github/workflows/linting_comment.yml index 147bcd10..b706875f 100644 --- a/.github/workflows/linting_comment.yml +++ b/.github/workflows/linting_comment.yml @@ -11,7 +11,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Download lint results - uses: dawidd6/action-download-artifact@v3 + uses: dawidd6/action-download-artifact@f6b0bace624032e30a85a8fd9c1a7f8f611f5737 # v3 with: workflow: linting.yml workflow_conclusion: completed @@ -21,7 +21,7 @@ jobs: run: echo "pr_number=$(cat linting-logs/PR_number.txt)" >> $GITHUB_OUTPUT - name: Post PR comment - uses: marocchino/sticky-pull-request-comment@v2 + uses: marocchino/sticky-pull-request-comment@331f8f5b4215f0445d3c07b4967662a32a2d3e31 # v2 with: GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} number: ${{ steps.pr_number.outputs.pr_number }} diff --git a/.github/workflows/release-announcements.yml b/.github/workflows/release-announcements.yml index 21ac3f06..c3674af2 100644 --- a/.github/workflows/release-announcements.yml +++ b/.github/workflows/release-announcements.yml @@ -9,6 +9,11 @@ jobs: toot: runs-on: ubuntu-latest steps: + - name: get topics and convert to hashtags + id: get_topics + run: | + curl -s https://nf-co.re/pipelines.json | jq -r '.remote_workflows[] | select(.name == "${{ github.repository }}") | .topics[]' | awk '{print "#"$0}' | tr '\n' ' ' > $GITHUB_OUTPUT + - uses: rzr/fediverse-action@master with: access-token: ${{ secrets.MASTODON_ACCESS_TOKEN }} @@ -20,11 +25,13 @@ jobs: Please see the changelog: ${{ github.event.release.html_url }} + ${{ steps.get_topics.outputs.GITHUB_OUTPUT }} #nfcore #openscience #nextflow #bioinformatics + send-tweet: runs-on: ubuntu-latest steps: - - uses: actions/setup-python@v5 + - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5 with: python-version: "3.10" - name: Install dependencies @@ -56,7 +63,7 @@ jobs: bsky-post: runs-on: ubuntu-latest steps: - - uses: zentered/bluesky-post-action@v0.1.0 + - uses: zentered/bluesky-post-action@80dbe0a7697de18c15ad22f4619919ceb5ccf597 # v0.1.0 with: post: | Pipeline release! ${{ github.repository }} v${{ github.event.release.tag_name }} - ${{ github.event.release.name }}! diff --git a/README.md b/README.md index 43e7e3cf..b50745fe 100644 --- a/README.md +++ b/README.md @@ -4,8 +4,9 @@ nf-core/differentialabundance -[![GitHub Actions CI Status](https://github.com/nf-core/differentialabundance/workflows/nf-core%20CI/badge.svg)](https://github.com/nf-core/differentialabundance/actions?query=workflow%3A%22nf-core+CI%22) -[![GitHub Actions Linting Status](https://github.com/nf-core/differentialabundance/workflows/nf-core%20linting/badge.svg)](https://github.com/nf-core/differentialabundance/actions?query=workflow%3A%22nf-core+linting%22)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/differentialabundance/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX) + +[![GitHub Actions CI Status](https://github.com/nf-core/differentialabundance/actions/workflows/ci.yml/badge.svg)](https://github.com/nf-core/differentialabundance/actions/workflows/ci.yml) +[![GitHub Actions Linting Status](https://github.com/nf-core/differentialabundance/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/differentialabundance/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/differentialabundance/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX) [![Nextflow](https://img.shields.io/badge/nextflow%20DSL2-%E2%89%A523.04.0-23aa62.svg)](https://www.nextflow.io/) [![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/) diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index e443dce2..3c2228d0 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -11,3 +11,5 @@ report_section_order: order: -1002 export_plots: true + +disable_version_detection: true diff --git a/assets/schema_input.json b/assets/schema_input.json index f30e31fa..51ce86d5 100644 --- a/assets/schema_input.json +++ b/assets/schema_input.json @@ -10,25 +10,22 @@ "sample": { "type": "string", "pattern": "^\\S+$", - "errorMessage": "Sample name must be provided and cannot contain spaces" + "errorMessage": "Sample name must be provided and cannot contain spaces", + "meta": ["id"] }, "fastq_1": { "type": "string", + "format": "file-path", + "exists": true, "pattern": "^\\S+\\.f(ast)?q\\.gz$", "errorMessage": "FastQ file for reads 1 must be provided, cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" }, "fastq_2": { - "errorMessage": "FastQ file for reads 2 cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'", - "anyOf": [ - { - "type": "string", - "pattern": "^\\S+\\.f(ast)?q\\.gz$" - }, - { - "type": "string", - "maxLength": 0 - } - ] + "type": "string", + "format": "file-path", + "exists": true, + "pattern": "^\\S+\\.f(ast)?q\\.gz$", + "errorMessage": "FastQ file for reads 2 cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" } }, "required": ["sample", "fastq_1"] diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py deleted file mode 100755 index 4a758fe0..00000000 --- a/bin/check_samplesheet.py +++ /dev/null @@ -1,259 +0,0 @@ -#!/usr/bin/env python - - -"""Provide a command line tool to validate and transform tabular samplesheets.""" - - -import argparse -import csv -import logging -import sys -from collections import Counter -from pathlib import Path - -logger = logging.getLogger() - - -class RowChecker: - """ - Define a service that can validate and transform each given row. - - Attributes: - modified (list): A list of dicts, where each dict corresponds to a previously - validated and transformed row. The order of rows is maintained. - - """ - - VALID_FORMATS = ( - ".fq.gz", - ".fastq.gz", - ) - - def __init__( - self, - sample_col="sample", - first_col="fastq_1", - second_col="fastq_2", - single_col="single_end", - **kwargs, - ): - """ - Initialize the row checker with the expected column names. - - Args: - sample_col (str): The name of the column that contains the sample name - (default "sample"). - first_col (str): The name of the column that contains the first (or only) - FASTQ file path (default "fastq_1"). - second_col (str): The name of the column that contains the second (if any) - FASTQ file path (default "fastq_2"). - single_col (str): The name of the new column that will be inserted and - records whether the sample contains single- or paired-end sequencing - reads (default "single_end"). - - """ - super().__init__(**kwargs) - self._sample_col = sample_col - self._first_col = first_col - self._second_col = second_col - self._single_col = single_col - self._seen = set() - self.modified = [] - - def validate_and_transform(self, row): - """ - Perform all validations on the given row and insert the read pairing status. - - Args: - row (dict): A mapping from column headers (keys) to elements of that row - (values). - - """ - self._validate_sample(row) - self._validate_first(row) - self._validate_second(row) - self._validate_pair(row) - self._seen.add((row[self._sample_col], row[self._first_col])) - self.modified.append(row) - - def _validate_sample(self, row): - """Assert that the sample name exists and convert spaces to underscores.""" - if len(row[self._sample_col]) <= 0: - raise AssertionError("Sample input is required.") - # Sanitize samples slightly. - row[self._sample_col] = row[self._sample_col].replace(" ", "_") - - def _validate_first(self, row): - """Assert that the first FASTQ entry is non-empty and has the right format.""" - if len(row[self._first_col]) <= 0: - raise AssertionError("At least the first FASTQ file is required.") - self._validate_fastq_format(row[self._first_col]) - - def _validate_second(self, row): - """Assert that the second FASTQ entry has the right format if it exists.""" - if len(row[self._second_col]) > 0: - self._validate_fastq_format(row[self._second_col]) - - def _validate_pair(self, row): - """Assert that read pairs have the same file extension. Report pair status.""" - if row[self._first_col] and row[self._second_col]: - row[self._single_col] = False - first_col_suffix = Path(row[self._first_col]).suffixes[-2:] - second_col_suffix = Path(row[self._second_col]).suffixes[-2:] - if first_col_suffix != second_col_suffix: - raise AssertionError("FASTQ pairs must have the same file extensions.") - else: - row[self._single_col] = True - - def _validate_fastq_format(self, filename): - """Assert that a given filename has one of the expected FASTQ extensions.""" - if not any(filename.endswith(extension) for extension in self.VALID_FORMATS): - raise AssertionError( - f"The FASTQ file has an unrecognized extension: {filename}\n" - f"It should be one of: {', '.join(self.VALID_FORMATS)}" - ) - - def validate_unique_samples(self): - """ - Assert that the combination of sample name and FASTQ filename is unique. - - In addition to the validation, also rename all samples to have a suffix of _T{n}, where n is the - number of times the same sample exist, but with different FASTQ files, e.g., multiple runs per experiment. - - """ - if len(self._seen) != len(self.modified): - raise AssertionError("The pair of sample name and FASTQ must be unique.") - seen = Counter() - for row in self.modified: - sample = row[self._sample_col] - seen[sample] += 1 - row[self._sample_col] = f"{sample}_T{seen[sample]}" - - -def read_head(handle, num_lines=10): - """Read the specified number of lines from the current position in the file.""" - lines = [] - for idx, line in enumerate(handle): - if idx == num_lines: - break - lines.append(line) - return "".join(lines) - - -def sniff_format(handle): - """ - Detect the tabular format. - - Args: - handle (text file): A handle to a `text file`_ object. The read position is - expected to be at the beginning (index 0). - - Returns: - csv.Dialect: The detected tabular format. - - .. _text file: - https://docs.python.org/3/glossary.html#term-text-file - - """ - peek = read_head(handle) - handle.seek(0) - sniffer = csv.Sniffer() - dialect = sniffer.sniff(peek) - return dialect - - -def check_samplesheet(file_in, file_out): - """ - Check that the tabular samplesheet has the structure expected by nf-core pipelines. - - Validate the general shape of the table, expected columns, and each row. Also add - an additional column which records whether one or two FASTQ reads were found. - - Args: - file_in (pathlib.Path): The given tabular samplesheet. The format can be either - CSV, TSV, or any other format automatically recognized by ``csv.Sniffer``. - file_out (pathlib.Path): Where the validated and transformed samplesheet should - be created; always in CSV format. - - Example: - This function checks that the samplesheet follows the following structure, - see also the `viral recon samplesheet`_:: - - sample,fastq_1,fastq_2 - SAMPLE_PE,SAMPLE_PE_RUN1_1.fastq.gz,SAMPLE_PE_RUN1_2.fastq.gz - SAMPLE_PE,SAMPLE_PE_RUN2_1.fastq.gz,SAMPLE_PE_RUN2_2.fastq.gz - SAMPLE_SE,SAMPLE_SE_RUN1_1.fastq.gz, - - .. _viral recon samplesheet: - https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv - - """ - required_columns = {"sample", "fastq_1", "fastq_2"} - # See https://docs.python.org/3.9/library/csv.html#id3 to read up on `newline=""`. - with file_in.open(newline="") as in_handle: - reader = csv.DictReader(in_handle, dialect=sniff_format(in_handle)) - # Validate the existence of the expected header columns. - if not required_columns.issubset(reader.fieldnames): - req_cols = ", ".join(required_columns) - logger.critical(f"The sample sheet **must** contain these column headers: {req_cols}.") - sys.exit(1) - # Validate each row. - checker = RowChecker() - for i, row in enumerate(reader): - try: - checker.validate_and_transform(row) - except AssertionError as error: - logger.critical(f"{str(error)} On line {i + 2}.") - sys.exit(1) - checker.validate_unique_samples() - header = list(reader.fieldnames) - header.insert(1, "single_end") - # See https://docs.python.org/3.9/library/csv.html#id3 to read up on `newline=""`. - with file_out.open(mode="w", newline="") as out_handle: - writer = csv.DictWriter(out_handle, header, delimiter=",") - writer.writeheader() - for row in checker.modified: - writer.writerow(row) - - -def parse_args(argv=None): - """Define and immediately parse command line arguments.""" - parser = argparse.ArgumentParser( - description="Validate and transform a tabular samplesheet.", - epilog="Example: python check_samplesheet.py samplesheet.csv samplesheet.valid.csv", - ) - parser.add_argument( - "file_in", - metavar="FILE_IN", - type=Path, - help="Tabular input samplesheet in CSV or TSV format.", - ) - parser.add_argument( - "file_out", - metavar="FILE_OUT", - type=Path, - help="Transformed output samplesheet in CSV format.", - ) - parser.add_argument( - "-l", - "--log-level", - help="The desired log level (default WARNING).", - choices=("CRITICAL", "ERROR", "WARNING", "INFO", "DEBUG"), - default="WARNING", - ) - return parser.parse_args(argv) - - -def main(argv=None): - """Coordinate argument parsing and program execution.""" - args = parse_args(argv) - logging.basicConfig(level=args.log_level, format="[%(levelname)s] %(message)s") - if not args.file_in.is_file(): - logger.error(f"The given input file {args.file_in} was not found!") - sys.exit(2) - args.file_out.parent.mkdir(parents=True, exist_ok=True) - check_samplesheet(args.file_in, args.file_out) - - -if __name__ == "__main__": - sys.exit(main()) diff --git a/conf/modules.config b/conf/modules.config index d91c6aba..e3ea8fa6 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -18,14 +18,6 @@ process { saveAs: { filename -> filename.equals('versions.yml') ? null : filename } ] - withName: SAMPLESHEET_CHECK { - publishDir = [ - path: { "${params.outdir}/pipeline_info" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] - } - withName: FASTQC { ext.args = '--quiet' } diff --git a/lib/NfcoreTemplate.groovy b/lib/NfcoreTemplate.groovy deleted file mode 100755 index e248e4c3..00000000 --- a/lib/NfcoreTemplate.groovy +++ /dev/null @@ -1,356 +0,0 @@ -// -// This file holds several functions used within the nf-core pipeline template. -// - -import org.yaml.snakeyaml.Yaml -import groovy.json.JsonOutput -import nextflow.extension.FilesEx - -class NfcoreTemplate { - - // - // Check AWS Batch related parameters have been specified correctly - // - public static void awsBatch(workflow, params) { - if (workflow.profile.contains('awsbatch')) { - // Check params.awsqueue and params.awsregion have been set if running on AWSBatch - assert (params.awsqueue && params.awsregion) : "Specify correct --awsqueue and --awsregion parameters on AWSBatch!" - // Check outdir paths to be S3 buckets if running on AWSBatch - assert params.outdir.startsWith('s3:') : "Outdir not on S3 - specify S3 Bucket to run on AWSBatch!" - } - } - - // - // Warn if a -profile or Nextflow config has not been provided to run the pipeline - // - public static void checkConfigProvided(workflow, log) { - if (workflow.profile == 'standard' && workflow.configFiles.size() <= 1) { - log.warn "[$workflow.manifest.name] You are attempting to run the pipeline without any custom configuration!\n\n" + - "This will be dependent on your local compute environment but can be achieved via one or more of the following:\n" + - " (1) Using an existing pipeline profile e.g. `-profile docker` or `-profile singularity`\n" + - " (2) Using an existing nf-core/configs for your Institution e.g. `-profile crick` or `-profile uppmax`\n" + - " (3) Using your own local custom config e.g. `-c /path/to/your/custom.config`\n\n" + - "Please refer to the quick start section and usage docs for the pipeline.\n " - } - } - - // - // Generate version string - // - public static String version(workflow) { - String version_string = "" - - if (workflow.manifest.version) { - def prefix_v = workflow.manifest.version[0] != 'v' ? 'v' : '' - version_string += "${prefix_v}${workflow.manifest.version}" - } - - if (workflow.commitId) { - def git_shortsha = workflow.commitId.substring(0, 7) - version_string += "-g${git_shortsha}" - } - - return version_string - } - - // - // Construct and send completion email - // - public static void email(workflow, params, summary_params, projectDir, log, multiqc_report=[]) { - - // Set up the e-mail variables - def subject = "[$workflow.manifest.name] Successful: $workflow.runName" - if (!workflow.success) { - subject = "[$workflow.manifest.name] FAILED: $workflow.runName" - } - - def summary = [:] - for (group in summary_params.keySet()) { - summary << summary_params[group] - } - - def misc_fields = [:] - misc_fields['Date Started'] = workflow.start - misc_fields['Date Completed'] = workflow.complete - misc_fields['Pipeline script file path'] = workflow.scriptFile - misc_fields['Pipeline script hash ID'] = workflow.scriptId - if (workflow.repository) misc_fields['Pipeline repository Git URL'] = workflow.repository - if (workflow.commitId) misc_fields['Pipeline repository Git Commit'] = workflow.commitId - if (workflow.revision) misc_fields['Pipeline Git branch/tag'] = workflow.revision - misc_fields['Nextflow Version'] = workflow.nextflow.version - misc_fields['Nextflow Build'] = workflow.nextflow.build - misc_fields['Nextflow Compile Timestamp'] = workflow.nextflow.timestamp - - def email_fields = [:] - email_fields['version'] = NfcoreTemplate.version(workflow) - email_fields['runName'] = workflow.runName - email_fields['success'] = workflow.success - email_fields['dateComplete'] = workflow.complete - email_fields['duration'] = workflow.duration - email_fields['exitStatus'] = workflow.exitStatus - email_fields['errorMessage'] = (workflow.errorMessage ?: 'None') - email_fields['errorReport'] = (workflow.errorReport ?: 'None') - email_fields['commandLine'] = workflow.commandLine - email_fields['projectDir'] = workflow.projectDir - email_fields['summary'] = summary << misc_fields - - // On success try attach the multiqc report - def mqc_report = null - try { - if (workflow.success) { - mqc_report = multiqc_report.getVal() - if (mqc_report.getClass() == ArrayList && mqc_report.size() >= 1) { - if (mqc_report.size() > 1) { - log.warn "[$workflow.manifest.name] Found multiple reports from process 'MULTIQC', will use only one" - } - mqc_report = mqc_report[0] - } - } - } catch (all) { - if (multiqc_report) { - log.warn "[$workflow.manifest.name] Could not attach MultiQC report to summary email" - } - } - - // Check if we are only sending emails on failure - def email_address = params.email - if (!params.email && params.email_on_fail && !workflow.success) { - email_address = params.email_on_fail - } - - // Render the TXT template - def engine = new groovy.text.GStringTemplateEngine() - def tf = new File("$projectDir/assets/email_template.txt") - def txt_template = engine.createTemplate(tf).make(email_fields) - def email_txt = txt_template.toString() - - // Render the HTML template - def hf = new File("$projectDir/assets/email_template.html") - def html_template = engine.createTemplate(hf).make(email_fields) - def email_html = html_template.toString() - - // Render the sendmail template - def max_multiqc_email_size = (params.containsKey('max_multiqc_email_size') ? params.max_multiqc_email_size : 0) as nextflow.util.MemoryUnit - def smail_fields = [ email: email_address, subject: subject, email_txt: email_txt, email_html: email_html, projectDir: "$projectDir", mqcFile: mqc_report, mqcMaxSize: max_multiqc_email_size.toBytes() ] - def sf = new File("$projectDir/assets/sendmail_template.txt") - def sendmail_template = engine.createTemplate(sf).make(smail_fields) - def sendmail_html = sendmail_template.toString() - - // Send the HTML e-mail - Map colors = logColours(params.monochrome_logs) - if (email_address) { - try { - if (params.plaintext_email) { throw GroovyException('Send plaintext e-mail, not HTML') } - // Try to send HTML e-mail using sendmail - def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") - sendmail_tf.withWriter { w -> w << sendmail_html } - [ 'sendmail', '-t' ].execute() << sendmail_html - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (sendmail)-" - } catch (all) { - // Catch failures and try with plaintext - def mail_cmd = [ 'mail', '-s', subject, '--content-type=text/html', email_address ] - if ( mqc_report != null && mqc_report.size() <= max_multiqc_email_size.toBytes() ) { - mail_cmd += [ '-A', mqc_report ] - } - mail_cmd.execute() << email_html - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (mail)-" - } - } - - // Write summary e-mail HTML to a file - def output_hf = new File(workflow.launchDir.toString(), ".pipeline_report.html") - output_hf.withWriter { w -> w << email_html } - FilesEx.copyTo(output_hf.toPath(), "${params.outdir}/pipeline_info/pipeline_report.html"); - output_hf.delete() - - // Write summary e-mail TXT to a file - def output_tf = new File(workflow.launchDir.toString(), ".pipeline_report.txt") - output_tf.withWriter { w -> w << email_txt } - FilesEx.copyTo(output_tf.toPath(), "${params.outdir}/pipeline_info/pipeline_report.txt"); - output_tf.delete() - } - - // - // Construct and send a notification to a web server as JSON - // e.g. Microsoft Teams and Slack - // - public static void IM_notification(workflow, params, summary_params, projectDir, log) { - def hook_url = params.hook_url - - def summary = [:] - for (group in summary_params.keySet()) { - summary << summary_params[group] - } - - def misc_fields = [:] - misc_fields['start'] = workflow.start - misc_fields['complete'] = workflow.complete - misc_fields['scriptfile'] = workflow.scriptFile - misc_fields['scriptid'] = workflow.scriptId - if (workflow.repository) misc_fields['repository'] = workflow.repository - if (workflow.commitId) misc_fields['commitid'] = workflow.commitId - if (workflow.revision) misc_fields['revision'] = workflow.revision - misc_fields['nxf_version'] = workflow.nextflow.version - misc_fields['nxf_build'] = workflow.nextflow.build - misc_fields['nxf_timestamp'] = workflow.nextflow.timestamp - - def msg_fields = [:] - msg_fields['version'] = NfcoreTemplate.version(workflow) - msg_fields['runName'] = workflow.runName - msg_fields['success'] = workflow.success - msg_fields['dateComplete'] = workflow.complete - msg_fields['duration'] = workflow.duration - msg_fields['exitStatus'] = workflow.exitStatus - msg_fields['errorMessage'] = (workflow.errorMessage ?: 'None') - msg_fields['errorReport'] = (workflow.errorReport ?: 'None') - msg_fields['commandLine'] = workflow.commandLine.replaceFirst(/ +--hook_url +[^ ]+/, "") - msg_fields['projectDir'] = workflow.projectDir - msg_fields['summary'] = summary << misc_fields - - // Render the JSON template - def engine = new groovy.text.GStringTemplateEngine() - // Different JSON depending on the service provider - // Defaults to "Adaptive Cards" (https://adaptivecards.io), except Slack which has its own format - def json_path = hook_url.contains("hooks.slack.com") ? "slackreport.json" : "adaptivecard.json" - def hf = new File("$projectDir/assets/${json_path}") - def json_template = engine.createTemplate(hf).make(msg_fields) - def json_message = json_template.toString() - - // POST - def post = new URL(hook_url).openConnection(); - post.setRequestMethod("POST") - post.setDoOutput(true) - post.setRequestProperty("Content-Type", "application/json") - post.getOutputStream().write(json_message.getBytes("UTF-8")); - def postRC = post.getResponseCode(); - if (! postRC.equals(200)) { - log.warn(post.getErrorStream().getText()); - } - } - - // - // Dump pipeline parameters in a json file - // - public static void dump_parameters(workflow, params) { - def timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') - def filename = "params_${timestamp}.json" - def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") - def jsonStr = JsonOutput.toJson(params) - temp_pf.text = JsonOutput.prettyPrint(jsonStr) - - FilesEx.copyTo(temp_pf.toPath(), "${params.outdir}/pipeline_info/params_${timestamp}.json") - temp_pf.delete() - } - - // - // Print pipeline summary on completion - // - public static void summary(workflow, params, log) { - Map colors = logColours(params.monochrome_logs) - if (workflow.success) { - if (workflow.stats.ignoredCount == 0) { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Pipeline completed successfully${colors.reset}-" - } else { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.yellow} Pipeline completed successfully, but with errored process(es) ${colors.reset}-" - } - } else { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.red} Pipeline completed with errors${colors.reset}-" - } - } - - // - // ANSII Colours used for terminal logging - // - public static Map logColours(Boolean monochrome_logs) { - Map colorcodes = [:] - - // Reset / Meta - colorcodes['reset'] = monochrome_logs ? '' : "\033[0m" - colorcodes['bold'] = monochrome_logs ? '' : "\033[1m" - colorcodes['dim'] = monochrome_logs ? '' : "\033[2m" - colorcodes['underlined'] = monochrome_logs ? '' : "\033[4m" - colorcodes['blink'] = monochrome_logs ? '' : "\033[5m" - colorcodes['reverse'] = monochrome_logs ? '' : "\033[7m" - colorcodes['hidden'] = monochrome_logs ? '' : "\033[8m" - - // Regular Colors - colorcodes['black'] = monochrome_logs ? '' : "\033[0;30m" - colorcodes['red'] = monochrome_logs ? '' : "\033[0;31m" - colorcodes['green'] = monochrome_logs ? '' : "\033[0;32m" - colorcodes['yellow'] = monochrome_logs ? '' : "\033[0;33m" - colorcodes['blue'] = monochrome_logs ? '' : "\033[0;34m" - colorcodes['purple'] = monochrome_logs ? '' : "\033[0;35m" - colorcodes['cyan'] = monochrome_logs ? '' : "\033[0;36m" - colorcodes['white'] = monochrome_logs ? '' : "\033[0;37m" - - // Bold - colorcodes['bblack'] = monochrome_logs ? '' : "\033[1;30m" - colorcodes['bred'] = monochrome_logs ? '' : "\033[1;31m" - colorcodes['bgreen'] = monochrome_logs ? '' : "\033[1;32m" - colorcodes['byellow'] = monochrome_logs ? '' : "\033[1;33m" - colorcodes['bblue'] = monochrome_logs ? '' : "\033[1;34m" - colorcodes['bpurple'] = monochrome_logs ? '' : "\033[1;35m" - colorcodes['bcyan'] = monochrome_logs ? '' : "\033[1;36m" - colorcodes['bwhite'] = monochrome_logs ? '' : "\033[1;37m" - - // Underline - colorcodes['ublack'] = monochrome_logs ? '' : "\033[4;30m" - colorcodes['ured'] = monochrome_logs ? '' : "\033[4;31m" - colorcodes['ugreen'] = monochrome_logs ? '' : "\033[4;32m" - colorcodes['uyellow'] = monochrome_logs ? '' : "\033[4;33m" - colorcodes['ublue'] = monochrome_logs ? '' : "\033[4;34m" - colorcodes['upurple'] = monochrome_logs ? '' : "\033[4;35m" - colorcodes['ucyan'] = monochrome_logs ? '' : "\033[4;36m" - colorcodes['uwhite'] = monochrome_logs ? '' : "\033[4;37m" - - // High Intensity - colorcodes['iblack'] = monochrome_logs ? '' : "\033[0;90m" - colorcodes['ired'] = monochrome_logs ? '' : "\033[0;91m" - colorcodes['igreen'] = monochrome_logs ? '' : "\033[0;92m" - colorcodes['iyellow'] = monochrome_logs ? '' : "\033[0;93m" - colorcodes['iblue'] = monochrome_logs ? '' : "\033[0;94m" - colorcodes['ipurple'] = monochrome_logs ? '' : "\033[0;95m" - colorcodes['icyan'] = monochrome_logs ? '' : "\033[0;96m" - colorcodes['iwhite'] = monochrome_logs ? '' : "\033[0;97m" - - // Bold High Intensity - colorcodes['biblack'] = monochrome_logs ? '' : "\033[1;90m" - colorcodes['bired'] = monochrome_logs ? '' : "\033[1;91m" - colorcodes['bigreen'] = monochrome_logs ? '' : "\033[1;92m" - colorcodes['biyellow'] = monochrome_logs ? '' : "\033[1;93m" - colorcodes['biblue'] = monochrome_logs ? '' : "\033[1;94m" - colorcodes['bipurple'] = monochrome_logs ? '' : "\033[1;95m" - colorcodes['bicyan'] = monochrome_logs ? '' : "\033[1;96m" - colorcodes['biwhite'] = monochrome_logs ? '' : "\033[1;97m" - - return colorcodes - } - - // - // Does what is says on the tin - // - public static String dashedLine(monochrome_logs) { - Map colors = logColours(monochrome_logs) - return "-${colors.dim}----------------------------------------------------${colors.reset}-" - } - - // - // nf-core logo - // - public static String logo(workflow, monochrome_logs) { - Map colors = logColours(monochrome_logs) - String workflow_version = NfcoreTemplate.version(workflow) - String.format( - """\n - ${dashedLine(monochrome_logs)} - ${colors.green},--.${colors.black}/${colors.green},-.${colors.reset} - ${colors.blue} ___ __ __ __ ___ ${colors.green}/,-._.--~\'${colors.reset} - ${colors.blue} |\\ | |__ __ / ` / \\ |__) |__ ${colors.yellow}} {${colors.reset} - ${colors.blue} | \\| | \\__, \\__/ | \\ |___ ${colors.green}\\`-._,-`-,${colors.reset} - ${colors.green}`._,._,\'${colors.reset} - ${colors.purple} ${workflow.manifest.name} ${workflow_version}${colors.reset} - ${dashedLine(monochrome_logs)} - """.stripIndent() - ) - } -} diff --git a/lib/Utils.groovy b/lib/Utils.groovy deleted file mode 100644 index 8d030f4e..00000000 --- a/lib/Utils.groovy +++ /dev/null @@ -1,47 +0,0 @@ -// -// This file holds several Groovy functions that could be useful for any Nextflow pipeline -// - -import org.yaml.snakeyaml.Yaml - -class Utils { - - // - // When running with -profile conda, warn if channels have not been set-up appropriately - // - public static void checkCondaChannels(log) { - Yaml parser = new Yaml() - def channels = [] - try { - def config = parser.load("conda config --show channels".execute().text) - channels = config.channels - } catch(NullPointerException | IOException e) { - log.warn "Could not verify conda channel configuration." - return - } - - // Check that all channels are present - // This channel list is ordered by required channel priority. - def required_channels_in_order = ['conda-forge', 'bioconda', 'defaults'] - def channels_missing = ((required_channels_in_order as Set) - (channels as Set)) as Boolean - - // Check that they are in the right order - def channel_priority_violation = false - def n = required_channels_in_order.size() - for (int i = 0; i < n - 1; i++) { - channel_priority_violation |= !(channels.indexOf(required_channels_in_order[i]) < channels.indexOf(required_channels_in_order[i+1])) - } - - if (channels_missing | channel_priority_violation) { - log.warn "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + - " There is a problem with your Conda configuration!\n\n" + - " You will need to set-up the conda-forge and bioconda channels correctly.\n" + - " Please refer to https://bioconda.github.io/\n" + - " The observed channel order is \n" + - " ${channels}\n" + - " but the following channel order is required:\n" + - " ${required_channels_in_order}\n" + - "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" - } - } -} diff --git a/lib/WorkflowDifferentialabundance.groovy b/lib/WorkflowDifferentialabundance.groovy deleted file mode 100755 index 059de182..00000000 --- a/lib/WorkflowDifferentialabundance.groovy +++ /dev/null @@ -1,122 +0,0 @@ -// -// This file holds several functions specific to the workflow/differentialabundance.nf in the nf-core/differentialabundance pipeline -// - -import nextflow.Nextflow -import groovy.text.SimpleTemplateEngine - -class WorkflowDifferentialabundance { - - // - // Check and validate parameters - // - public static void initialise(params, log) { - - genomeExistsError(params, log) - - - if (!params.fasta) { - Nextflow.error "Genome fasta file not specified with e.g. '--fasta genome.fa' or via a detectable config file." - } - } - - // - // Get workflow summary for MultiQC - // - public static String paramsSummaryMultiqc(workflow, summary) { - String summary_section = '' - for (group in summary.keySet()) { - def group_params = summary.get(group) // This gets the parameters of that particular group - if (group_params) { - summary_section += "

$group

\n" - summary_section += "
\n" - for (param in group_params.keySet()) { - summary_section += "
$param
${group_params.get(param) ?: 'N/A'}
\n" - } - summary_section += "
\n" - } - } - - String yaml_file_text = "id: '${workflow.manifest.name.replace('/','-')}-summary'\n" - yaml_file_text += "description: ' - this information is collected when the pipeline is started.'\n" - yaml_file_text += "section_name: '${workflow.manifest.name} Workflow Summary'\n" - yaml_file_text += "section_href: 'https://github.com/${workflow.manifest.name}'\n" - yaml_file_text += "plot_type: 'html'\n" - yaml_file_text += "data: |\n" - yaml_file_text += "${summary_section}" - return yaml_file_text - } - - // - // Generate methods description for MultiQC - // - - public static String toolCitationText(params) { - - // TODO nf-core: Optionally add in-text citation tools to this list. - // Can use ternary operators to dynamically construct based conditions, e.g. params["run_xyz"] ? "Tool (Foo et al. 2023)" : "", - // Uncomment function in methodsDescriptionText to render in MultiQC report - def citation_text = [ - "Tools used in the workflow included:", - "FastQC (Andrews 2010),", - "MultiQC (Ewels et al. 2016)", - "." - ].join(' ').trim() - - return citation_text - } - - public static String toolBibliographyText(params) { - - // TODO Optionally add bibliographic entries to this list. - // Can use ternary operators to dynamically construct based conditions, e.g. params["run_xyz"] ? "
  • Author (2023) Pub name, Journal, DOI
    • " : "", - // Uncomment function in methodsDescriptionText to render in MultiQC report - def reference_text = [ - "
  • Andrews S, (2010) FastQC, URL: https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
    • ", - "
  • Ewels, P., Magnusson, M., Lundin, S., & Käller, M. (2016). MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics , 32(19), 3047–3048. doi: /10.1093/bioinformatics/btw354
    • " - ].join(' ').trim() - - return reference_text - } - - public static String methodsDescriptionText(run_workflow, mqc_methods_yaml, params) { - // Convert to a named map so can be used as with familar NXF ${workflow} variable syntax in the MultiQC YML file - def meta = [:] - meta.workflow = run_workflow.toMap() - meta["manifest_map"] = run_workflow.manifest.toMap() - - // Pipeline DOI - meta["doi_text"] = meta.manifest_map.doi ? "(doi: ${meta.manifest_map.doi})" : "" - meta["nodoi_text"] = meta.manifest_map.doi ? "": "
  • If available, make sure to update the text to include the Zenodo DOI of version of the pipeline used.
    • " - - // Tool references - meta["tool_citations"] = "" - meta["tool_bibliography"] = "" - - // TODO Only uncomment below if logic in toolCitationText/toolBibliographyText has been filled! - //meta["tool_citations"] = toolCitationText(params).replaceAll(", \\.", ".").replaceAll("\\. \\.", ".").replaceAll(", \\.", ".") - //meta["tool_bibliography"] = toolBibliographyText(params) - - - def methods_text = mqc_methods_yaml.text - - def engine = new SimpleTemplateEngine() - def description_html = engine.createTemplate(methods_text).make(meta) - - return description_html - } - - // - // Exit pipeline if incorrect --genome key provided - // - private static void genomeExistsError(params, log) { - if (params.genomes && params.genome && !params.genomes.containsKey(params.genome)) { - def error_string = "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + - " Genome '${params.genome}' not found in any config files provided to the pipeline.\n" + - " Currently, the available genome keys are:\n" + - " ${params.genomes.keySet().join(", ")}\n" + - "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" - Nextflow.error(error_string) - } - } -} diff --git a/lib/WorkflowMain.groovy b/lib/WorkflowMain.groovy deleted file mode 100755 index 8879a7ee..00000000 --- a/lib/WorkflowMain.groovy +++ /dev/null @@ -1,77 +0,0 @@ -// -// This file holds several functions specific to the main.nf workflow in the nf-core/differentialabundance pipeline -// - -import nextflow.Nextflow - -class WorkflowMain { - - // - // Citation string for pipeline - // - public static String citation(workflow) { - return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + - // TODO nf-core: Add Zenodo DOI for pipeline after first release - //"* The pipeline\n" + - //" https://doi.org/10.5281/zenodo.XXXXXXX\n\n" + - "* The nf-core framework\n" + - " https://doi.org/10.1038/s41587-020-0439-x\n\n" + - "* Software dependencies\n" + - " https://github.com/${workflow.manifest.name}/blob/master/CITATIONS.md" - } - - - // - // Validate parameters and print summary to screen - // - public static void initialise(workflow, params, log, args) { - - // Print workflow version and exit on --version - if (params.version) { - String workflow_version = NfcoreTemplate.version(workflow) - log.info "${workflow.manifest.name} ${workflow_version}" - System.exit(0) - } - - // Check that a -profile or Nextflow config has been provided to run the pipeline - NfcoreTemplate.checkConfigProvided(workflow, log) - // Check that the profile doesn't contain spaces and doesn't end with a trailing comma - checkProfile(workflow.profile, args, log) - - // Check that conda channels are set-up correctly - if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { - Utils.checkCondaChannels(log) - } - - // Check AWS batch settings - NfcoreTemplate.awsBatch(workflow, params) - - // Check input has been provided - if (!params.input) { - Nextflow.error("Please provide an input samplesheet to the pipeline e.g. '--input samplesheet.csv'") - } - } - // - // Get attribute from genome config file e.g. fasta - // - public static Object getGenomeAttribute(params, attribute) { - if (params.genomes && params.genome && params.genomes.containsKey(params.genome)) { - if (params.genomes[ params.genome ].containsKey(attribute)) { - return params.genomes[ params.genome ][ attribute ] - } - } - return null - } - - // - // Exit pipeline if --profile contains spaces - // - private static void checkProfile(profile, args, log) { - if (profile.endsWith(',')) { - Nextflow.error "Profile cannot end with a trailing comma. Please remove the comma from the end of the profile string.\nHint: A common mistake is to provide multiple values to `-profile` separated by spaces. Please use commas to separate profiles instead,e.g., `-profile docker,test`." - } - if (args[0]) { - log.warn "nf-core pipelines do not accept positional arguments. The positional argument `${args[0]}` has been detected.\n Hint: A common mistake is to provide multiple values to `-profile` separated by spaces. Please use commas to separate profiles instead,e.g., `-profile docker,test`." - } - } -} diff --git a/main.nf b/main.nf index ab57ebbd..1802782c 100644 --- a/main.nf +++ b/main.nf @@ -13,66 +13,96 @@ nextflow.enable.dsl = 2 /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - GENOME PARAMETER VALUES + IMPORT FUNCTIONS / MODULES / SUBWORKFLOWS / WORKFLOWS ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -// TODO nf-core: Remove this line if you don't need a FASTA file -// This is an example of how to use getGenomeAttribute() to fetch parameters -// from igenomes.config using `--genome` -params.fasta = WorkflowMain.getGenomeAttribute(params, 'fasta') +include { DIFFERENTIALABUNDANCE } from './workflows/differentialabundance' +include { PIPELINE_INITIALISATION } from './subworkflows/local/utils_nfcore_differentialabundance_pipeline' +include { PIPELINE_COMPLETION } from './subworkflows/local/utils_nfcore_differentialabundance_pipeline' + +include { getGenomeAttribute } from './subworkflows/local/utils_nfcore_differentialabundance_pipeline' /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - VALIDATE & PRINT PARAMETER SUMMARY + GENOME PARAMETER VALUES ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -include { validateParameters; paramsHelp } from 'plugin/nf-validation' - -// Print help message if needed -if (params.help) { - def logo = NfcoreTemplate.logo(workflow, params.monochrome_logs) - def citation = '\n' + WorkflowMain.citation(workflow) + '\n' - def String command = "nextflow run ${workflow.manifest.name} --input samplesheet.csv --genome GRCh37 -profile docker" - log.info logo + paramsHelp(command) + citation + NfcoreTemplate.dashedLine(params.monochrome_logs) - System.exit(0) -} - -// Validate input parameters -if (params.validate_params) { - validateParameters() -} - -WorkflowMain.initialise(workflow, params, log, args) +// TODO nf-core: Remove this line if you don't need a FASTA file +// This is an example of how to use getGenomeAttribute() to fetch parameters +// from igenomes.config using `--genome` +params.fasta = getGenomeAttribute('fasta') /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - NAMED WORKFLOW FOR PIPELINE + NAMED WORKFLOWS FOR PIPELINE ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -include { DIFFERENTIALABUNDANCE } from './workflows/differentialabundance' - // -// WORKFLOW: Run main nf-core/differentialabundance analysis pipeline +// WORKFLOW: Run main analysis pipeline depending on type of input // workflow NFCORE_DIFFERENTIALABUNDANCE { - DIFFERENTIALABUNDANCE () -} + take: + samplesheet // channel: samplesheet read in from --input + + main: + + // + // WORKFLOW: Run pipeline + // + DIFFERENTIALABUNDANCE ( + samplesheet + ) + + emit: + multiqc_report = DIFFERENTIALABUNDANCE.out.multiqc_report // channel: /path/to/multiqc_report.html + +} /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - RUN ALL WORKFLOWS + RUN MAIN WORKFLOW ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -// -// WORKFLOW: Execute a single named workflow for the pipeline -// See: https://github.com/nf-core/rnaseq/issues/619 -// workflow { - NFCORE_DIFFERENTIALABUNDANCE () + + main: + + // + // SUBWORKFLOW: Run initialisation tasks + // + PIPELINE_INITIALISATION ( + params.version, + params.help, + params.validate_params, + params.monochrome_logs, + args, + params.outdir, + params.input + ) + + // + // WORKFLOW: Run main workflow + // + NFCORE_DIFFERENTIALABUNDANCE ( + PIPELINE_INITIALISATION.out.samplesheet + ) + + // + // SUBWORKFLOW: Run completion tasks + // + PIPELINE_COMPLETION ( + params.email, + params.email_on_fail, + params.plaintext_email, + params.outdir, + params.monochrome_logs, + params.hook_url, + NFCORE_DIFFERENTIALABUNDANCE.out.multiqc_report + ) } /* diff --git a/modules.json b/modules.json index 75556f0d..7a4543e6 100644 --- a/modules.json +++ b/modules.json @@ -5,22 +5,36 @@ "https://github.com/nf-core/modules.git": { "modules": { "nf-core": { - "custom/dumpsoftwareversions": { - "branch": "master", - "git_sha": "8ec825f465b9c17f9d83000022995b4f7de6fe93", - "installed_by": ["modules"] - }, "fastqc": { "branch": "master", - "git_sha": "c9488585ce7bd35ccd2a30faa2371454c8112fb9", + "git_sha": "f4ae1d942bd50c5c0b9bd2de1393ce38315ba57c", "installed_by": ["modules"] }, "multiqc": { "branch": "master", - "git_sha": "8ec825f465b9c17f9d83000022995b4f7de6fe93", + "git_sha": "ccacf6f5de6df3bc6d73b665c1fd2933d8bbc290", "installed_by": ["modules"] } } + }, + "subworkflows": { + "nf-core": { + "utils_nextflow_pipeline": { + "branch": "master", + "git_sha": "cd08c91373cd00a73255081340e4914485846ba1", + "installed_by": ["subworkflows"] + }, + "utils_nfcore_pipeline": { + "branch": "master", + "git_sha": "262b17ed2aad591039f914951659177e6c39a8d8", + "installed_by": ["subworkflows"] + }, + "utils_nfvalidation_plugin": { + "branch": "master", + "git_sha": "cd08c91373cd00a73255081340e4914485846ba1", + "installed_by": ["subworkflows"] + } + } } } } diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf deleted file mode 100644 index 7846ed7b..00000000 --- a/modules/local/samplesheet_check.nf +++ /dev/null @@ -1,31 +0,0 @@ -process SAMPLESHEET_CHECK { - tag "$samplesheet" - label 'process_single' - - conda "conda-forge::python=3.8.3" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/python:3.8.3' : - 'biocontainers/python:3.8.3' }" - - input: - path samplesheet - - output: - path '*.csv' , emit: csv - path "versions.yml", emit: versions - - when: - task.ext.when == null || task.ext.when - - script: // This script is bundled with the pipeline, in nf-core/differentialabundance/bin/ - """ - check_samplesheet.py \\ - $samplesheet \\ - samplesheet.valid.csv - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - python: \$(python --version | sed 's/Python //g') - END_VERSIONS - """ -} diff --git a/modules/nf-core/custom/dumpsoftwareversions/environment.yml b/modules/nf-core/custom/dumpsoftwareversions/environment.yml deleted file mode 100644 index 9b3272bc..00000000 --- a/modules/nf-core/custom/dumpsoftwareversions/environment.yml +++ /dev/null @@ -1,7 +0,0 @@ -name: custom_dumpsoftwareversions -channels: - - conda-forge - - bioconda - - defaults -dependencies: - - bioconda::multiqc=1.19 diff --git a/modules/nf-core/custom/dumpsoftwareversions/main.nf b/modules/nf-core/custom/dumpsoftwareversions/main.nf deleted file mode 100644 index f2187611..00000000 --- a/modules/nf-core/custom/dumpsoftwareversions/main.nf +++ /dev/null @@ -1,24 +0,0 @@ -process CUSTOM_DUMPSOFTWAREVERSIONS { - label 'process_single' - - // Requires `pyyaml` which does not have a dedicated container but is in the MultiQC container - conda "${moduleDir}/environment.yml" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.19--pyhdfd78af_0' : - 'biocontainers/multiqc:1.19--pyhdfd78af_0' }" - - input: - path versions - - output: - path "software_versions.yml" , emit: yml - path "software_versions_mqc.yml", emit: mqc_yml - path "versions.yml" , emit: versions - - when: - task.ext.when == null || task.ext.when - - script: - def args = task.ext.args ?: '' - template 'dumpsoftwareversions.py' -} diff --git a/modules/nf-core/custom/dumpsoftwareversions/meta.yml b/modules/nf-core/custom/dumpsoftwareversions/meta.yml deleted file mode 100644 index 5f15a5fd..00000000 --- a/modules/nf-core/custom/dumpsoftwareversions/meta.yml +++ /dev/null @@ -1,37 +0,0 @@ -# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/meta-schema.json -name: custom_dumpsoftwareversions -description: Custom module used to dump software versions within the nf-core pipeline template -keywords: - - custom - - dump - - version -tools: - - custom: - description: Custom module used to dump software versions within the nf-core pipeline template - homepage: https://github.com/nf-core/tools - documentation: https://github.com/nf-core/tools - licence: ["MIT"] -input: - - versions: - type: file - description: YML file containing software versions - pattern: "*.yml" -output: - - yml: - type: file - description: Standard YML file containing software versions - pattern: "software_versions.yml" - - mqc_yml: - type: file - description: MultiQC custom content YML file containing software versions - pattern: "software_versions_mqc.yml" - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" -authors: - - "@drpatelh" - - "@grst" -maintainers: - - "@drpatelh" - - "@grst" diff --git a/modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py b/modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py deleted file mode 100755 index e55b8d43..00000000 --- a/modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py +++ /dev/null @@ -1,102 +0,0 @@ -#!/usr/bin/env python - - -"""Provide functions to merge multiple versions.yml files.""" - - -import platform -from textwrap import dedent - -import yaml - - -def _make_versions_html(versions): - """Generate a tabular HTML output of all versions for MultiQC.""" - html = [ - dedent( - """\\ - -
    Process Name \\", + " \\ Software Version
    CUSTOM_DUMPSOFTWAREVERSIONSpython3.11.7
    yaml5.4.1
    TOOL1tool10.11.9
    TOOL2tool21.9
    WorkflowNextflow
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    File typeConventional base calls
    - - - - - - - - """ - ) - ] - for process, tmp_versions in sorted(versions.items()): - html.append("") - for i, (tool, version) in enumerate(sorted(tmp_versions.items())): - html.append( - dedent( - f"""\\ - - - - - - """ - ) - ) - html.append("") - html.append("
    Process Name Software Version
    {process if (i == 0) else ''}{tool}{version}
    ") - return "\\n".join(html) - - -def main(): - """Load all version files and generate merged output.""" - versions_this_module = {} - versions_this_module["${task.process}"] = { - "python": platform.python_version(), - "yaml": yaml.__version__, - } - - with open("$versions") as f: - versions_by_process = yaml.load(f, Loader=yaml.BaseLoader) | versions_this_module - - # aggregate versions by the module name (derived from fully-qualified process name) - versions_by_module = {} - for process, process_versions in versions_by_process.items(): - module = process.split(":")[-1] - try: - if versions_by_module[module] != process_versions: - raise AssertionError( - "We assume that software versions are the same between all modules. " - "If you see this error-message it means you discovered an edge-case " - "and should open an issue in nf-core/tools. " - ) - except KeyError: - versions_by_module[module] = process_versions - - versions_by_module["Workflow"] = { - "Nextflow": "$workflow.nextflow.version", - "$workflow.manifest.name": "$workflow.manifest.version", - } - - versions_mqc = { - "id": "software_versions", - "section_name": "${workflow.manifest.name} Software Versions", - "section_href": "https://github.com/${workflow.manifest.name}", - "plot_type": "html", - "description": "are collected at run time from the software output.", - "data": _make_versions_html(versions_by_module), - } - - with open("software_versions.yml", "w") as f: - yaml.dump(versions_by_module, f, default_flow_style=False) - with open("software_versions_mqc.yml", "w") as f: - yaml.dump(versions_mqc, f, default_flow_style=False) - - with open("versions.yml", "w") as f: - yaml.dump(versions_this_module, f, default_flow_style=False) - - -if __name__ == "__main__": - main() diff --git a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test deleted file mode 100644 index b1e1630b..00000000 --- a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test +++ /dev/null @@ -1,43 +0,0 @@ -nextflow_process { - - name "Test Process CUSTOM_DUMPSOFTWAREVERSIONS" - script "../main.nf" - process "CUSTOM_DUMPSOFTWAREVERSIONS" - tag "modules" - tag "modules_nfcore" - tag "custom" - tag "dumpsoftwareversions" - tag "custom/dumpsoftwareversions" - - test("Should run without failures") { - when { - process { - """ - def tool1_version = ''' - TOOL1: - tool1: 0.11.9 - '''.stripIndent() - - def tool2_version = ''' - TOOL2: - tool2: 1.9 - '''.stripIndent() - - input[0] = Channel.of(tool1_version, tool2_version).collectFile() - """ - } - } - - then { - assertAll( - { assert process.success }, - { assert snapshot( - process.out.versions, - file(process.out.mqc_yml[0]).readLines()[0..10], - file(process.out.yml[0]).readLines()[0..7] - ).match() - } - ) - } - } -} diff --git a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap b/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap deleted file mode 100644 index 5f59a936..00000000 --- a/modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap +++ /dev/null @@ -1,33 +0,0 @@ -{ - "Should run without failures": { - "content": [ - [ - "versions.yml:md5,76d454d92244589d32455833f7c1ba6d" - ], - [ - "data: \"\\n\\n \\n \\n \\n \\n \\n \\n \\n\\", - " \\n\\n\\n \\n \\n\\", - " \\ \\n\\n\\n\\n \\n \\", - " \\ \\n \\n\\n\\n\\n\\", - " \\n\\n \\n \\n\\", - " \\ \\n\\n\\n\\n\\n\\n \\n\\", - " \\ \\n \\n\\n\\n\\n\\", - " \\n\\n \\n \\n\\" - ], - [ - "CUSTOM_DUMPSOFTWAREVERSIONS:", - " python: 3.11.7", - " yaml: 5.4.1", - "TOOL1:", - " tool1: 0.11.9", - "TOOL2:", - " tool2: '1.9'", - "Workflow:" - ] - ], - "timestamp": "2024-01-09T23:01:18.710682" - } -} \ No newline at end of file diff --git a/modules/nf-core/custom/dumpsoftwareversions/tests/tags.yml b/modules/nf-core/custom/dumpsoftwareversions/tests/tags.yml deleted file mode 100644 index 405aa24a..00000000 --- a/modules/nf-core/custom/dumpsoftwareversions/tests/tags.yml +++ /dev/null @@ -1,2 +0,0 @@ -custom/dumpsoftwareversions: - - modules/nf-core/custom/dumpsoftwareversions/** diff --git a/modules/nf-core/fastqc/tests/main.nf.test b/modules/nf-core/fastqc/tests/main.nf.test index 1f21c664..70edae4d 100644 --- a/modules/nf-core/fastqc/tests/main.nf.test +++ b/modules/nf-core/fastqc/tests/main.nf.test @@ -33,7 +33,7 @@ nextflow_process { { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, { assert path(process.out.html[0][1]).text.contains("") }, - { assert snapshot(process.out.versions).match("versions") } + { assert snapshot(process.out.versions).match("fastqc_versions_single") } ) } } @@ -63,7 +63,7 @@ nextflow_process { { assert path(process.out.html[0][1][0]).text.contains("") }, { assert path(process.out.html[0][1][1]).text.contains("") }, - { assert snapshot(process.out.versions).match("versions") } + { assert snapshot(process.out.versions).match("fastqc_versions_paired") } ) } } @@ -89,7 +89,7 @@ nextflow_process { { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, { assert path(process.out.html[0][1]).text.contains("") }, - { assert snapshot(process.out.versions).match("versions") } + { assert snapshot(process.out.versions).match("fastqc_versions_interleaved") } ) } } @@ -115,7 +115,7 @@ nextflow_process { { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, { assert path(process.out.html[0][1]).text.contains("") }, - { assert snapshot(process.out.versions).match("versions") } + { assert snapshot(process.out.versions).match("fastqc_versions_bam") } ) } } @@ -153,7 +153,7 @@ nextflow_process { { assert path(process.out.html[0][1][2]).text.contains("") }, { assert path(process.out.html[0][1][3]).text.contains("") }, - { assert snapshot(process.out.versions).match("versions") } + { assert snapshot(process.out.versions).match("fastqc_versions_multiple") } ) } } @@ -179,7 +179,7 @@ nextflow_process { { assert process.out.zip[0][1] ==~ ".*/mysample_fastqc.zip" }, { assert path(process.out.html[0][1]).text.contains("") }, - { assert snapshot(process.out.versions).match("versions") } + { assert snapshot(process.out.versions).match("fastqc_versions_custom_prefix") } ) } } @@ -204,7 +204,7 @@ nextflow_process { { assert process.success }, { assert snapshot(process.out.html.collect { file(it[1]).getName() } + process.out.zip.collect { file(it[1]).getName() } + - process.out.versions ).match() } + process.out.versions ).match("fastqc_stub") } ) } } diff --git a/modules/nf-core/fastqc/tests/main.nf.test.snap b/modules/nf-core/fastqc/tests/main.nf.test.snap index 5d624bb8..86f7c311 100644 --- a/modules/nf-core/fastqc/tests/main.nf.test.snap +++ b/modules/nf-core/fastqc/tests/main.nf.test.snap @@ -1,5 +1,17 @@ { - "sarscov2 single-end [fastq] - stub": { + "fastqc_versions_interleaved": { + "content": [ + [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-01-31T17:40:07.293713" + }, + "fastqc_stub": { "content": [ [ "test.html", @@ -7,14 +19,70 @@ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], - "timestamp": "2024-01-17T18:40:57.254299" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-01-31T17:31:01.425198" + }, + "fastqc_versions_multiple": { + "content": [ + [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-01-31T17:40:55.797907" + }, + "fastqc_versions_bam": { + "content": [ + [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-01-31T17:40:26.795862" + }, + "fastqc_versions_single": { + "content": [ + [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-01-31T17:39:27.043675" + }, + "fastqc_versions_paired": { + "content": [ + [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-01-31T17:39:47.584191" }, - "versions": { + "fastqc_versions_custom_prefix": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], - "timestamp": "2024-01-17T18:36:50.033627" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-01-31T17:41:14.576531" } } \ No newline at end of file diff --git a/modules/nf-core/multiqc/environment.yml b/modules/nf-core/multiqc/environment.yml index 7625b752..2212096a 100644 --- a/modules/nf-core/multiqc/environment.yml +++ b/modules/nf-core/multiqc/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::multiqc=1.19 + - bioconda::multiqc=1.20 diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 1b9f7c43..354f4430 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -3,8 +3,8 @@ process MULTIQC { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.19--pyhdfd78af_0' : - 'biocontainers/multiqc:1.19--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.20--pyhdfd78af_0' : + 'biocontainers/multiqc:1.20--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" diff --git a/modules/nf-core/multiqc/tests/main.nf.test b/modules/nf-core/multiqc/tests/main.nf.test index d0438eda..f1c4242e 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test +++ b/modules/nf-core/multiqc/tests/main.nf.test @@ -3,6 +3,7 @@ nextflow_process { name "Test Process MULTIQC" script "../main.nf" process "MULTIQC" + tag "modules" tag "modules_nfcore" tag "multiqc" @@ -12,7 +13,7 @@ nextflow_process { when { process { """ - input[0] = Channel.of([file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz_fastqc_zip'], checkIfExists: true)]) + input[0] = Channel.of(file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastqc/test_fastqc.zip', checkIfExists: true)) input[1] = [] input[2] = [] input[3] = [] @@ -25,7 +26,7 @@ nextflow_process { { assert process.success }, { assert process.out.report[0] ==~ ".*/multiqc_report.html" }, { assert process.out.data[0] ==~ ".*/multiqc_data" }, - { assert snapshot(process.out.versions).match("versions") } + { assert snapshot(process.out.versions).match("multiqc_versions_single") } ) } @@ -36,7 +37,7 @@ nextflow_process { when { process { """ - input[0] = Channel.of([file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz_fastqc_zip'], checkIfExists: true)]) + input[0] = Channel.of(file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastqc/test_fastqc.zip', checkIfExists: true)) input[1] = Channel.of(file("https://github.com/nf-core/tools/raw/dev/nf_core/pipeline-template/assets/multiqc_config.yml", checkIfExists: true)) input[2] = [] input[3] = [] @@ -49,7 +50,7 @@ nextflow_process { { assert process.success }, { assert process.out.report[0] ==~ ".*/multiqc_report.html" }, { assert process.out.data[0] ==~ ".*/multiqc_data" }, - { assert snapshot(process.out.versions).match("versions") } + { assert snapshot(process.out.versions).match("multiqc_versions_config") } ) } } @@ -61,7 +62,7 @@ nextflow_process { when { process { """ - input[0] = Channel.of([file(params.test_data['sarscov2']['illumina']['test_1_fastq_gz_fastqc_zip'], checkIfExists: true)]) + input[0] = Channel.of(file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastqc/test_fastqc.zip', checkIfExists: true)) input[1] = [] input[2] = [] input[3] = [] @@ -75,7 +76,7 @@ nextflow_process { { assert snapshot(process.out.report.collect { file(it).getName() } + process.out.data.collect { file(it).getName() } + process.out.plots.collect { file(it).getName() } + - process.out.versions ).match() } + process.out.versions ).match("multiqc_stub") } ) } diff --git a/modules/nf-core/multiqc/tests/main.nf.test.snap b/modules/nf-core/multiqc/tests/main.nf.test.snap index d37e7304..c204b488 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test.snap +++ b/modules/nf-core/multiqc/tests/main.nf.test.snap @@ -1,21 +1,41 @@ { - "versions": { + "multiqc_versions_single": { "content": [ [ - "versions.yml:md5,14e9a2661241abd828f4f06a7b5c222d" + "versions.yml:md5,d320d4c37e349c5588e07e7a31cd4186" ] ], - "timestamp": "2024-01-09T23:02:49.911994" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-14T09:28:51.744211298" }, - "sarscov2 single-end [fastqc] - stub": { + "multiqc_stub": { "content": [ [ "multiqc_report.html", "multiqc_data", "multiqc_plots", - "versions.yml:md5,14e9a2661241abd828f4f06a7b5c222d" + "versions.yml:md5,d320d4c37e349c5588e07e7a31cd4186" ] ], - "timestamp": "2024-01-09T23:03:14.524346" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-14T09:29:28.847433492" + }, + "multiqc_versions_config": { + "content": [ + [ + "versions.yml:md5,d320d4c37e349c5588e07e7a31cd4186" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-14T09:29:13.223621555" } } \ No newline at end of file diff --git a/nextflow.config b/nextflow.config index 5af706ec..4ee95a64 100644 --- a/nextflow.config +++ b/nextflow.config @@ -16,9 +16,7 @@ params { genome = null igenomes_base = 's3://ngi-igenomes/igenomes/' igenomes_ignore = false - - - // MultiQC options + fasta = null// MultiQC options multiqc_config = null multiqc_title = null multiqc_logo = null @@ -43,7 +41,6 @@ params { custom_config_base = "https://raw.githubusercontent.com/nf-core/configs/${params.custom_config_version}" config_profile_contact = null config_profile_url = null - // Max resource options // Defaults only, expecting to be overwritten diff --git a/nextflow_schema.json b/nextflow_schema.json index 52fc3e75..1354b449 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -16,6 +16,7 @@ "type": "string", "format": "file-path", "exists": true, + "schema": "assets/schema_input.json", "mimetype": "text/csv", "pattern": "^\\S+\\.csv$", "description": "Path to comma-separated file containing information about the samples in the experiment.", diff --git a/pyproject.toml b/pyproject.toml index 7d08e1c8..56110621 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -3,11 +3,13 @@ [tool.ruff] line-length = 120 target-version = "py38" -select = ["I", "E1", "E4", "E7", "E9", "F", "UP", "N"] cache-dir = "~/.cache/ruff" -[tool.ruff.isort] +[tool.ruff.lint] +select = ["I", "E1", "E4", "E7", "E9", "F", "UP", "N"] + +[tool.ruff.lint.isort] known-first-party = ["nf_core"] -[tool.ruff.per-file-ignores] +[tool.ruff.lint.per-file-ignores] "__init__.py" = ["E402", "F401"] diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf deleted file mode 100644 index 0aecf87f..00000000 --- a/subworkflows/local/input_check.nf +++ /dev/null @@ -1,44 +0,0 @@ -// -// Check input samplesheet and get read channels -// - -include { SAMPLESHEET_CHECK } from '../../modules/local/samplesheet_check' - -workflow INPUT_CHECK { - take: - samplesheet // file: /path/to/samplesheet.csv - - main: - SAMPLESHEET_CHECK ( samplesheet ) - .csv - .splitCsv ( header:true, sep:',' ) - .map { create_fastq_channel(it) } - .set { reads } - - emit: - reads // channel: [ val(meta), [ reads ] ] - versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ] -} - -// Function to get list of [ meta, [ fastq_1, fastq_2 ] ] -def create_fastq_channel(LinkedHashMap row) { - // create meta map - def meta = [:] - meta.id = row.sample - meta.single_end = row.single_end.toBoolean() - - // add path(s) of the fastq file(s) to the meta map - def fastq_meta = [] - if (!file(row.fastq_1).exists()) { - exit 1, "ERROR: Please check input samplesheet -> Read 1 FastQ file does not exist!\n${row.fastq_1}" - } - if (meta.single_end) { - fastq_meta = [ meta, [ file(row.fastq_1) ] ] - } else { - if (!file(row.fastq_2).exists()) { - exit 1, "ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}" - } - fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ] - } - return fastq_meta -} diff --git a/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf b/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf new file mode 100644 index 00000000..dc90ad90 --- /dev/null +++ b/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf @@ -0,0 +1,247 @@ +// +// Subworkflow with functionality specific to the nf-core/pipeline pipeline +// + +/* +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + IMPORT FUNCTIONS / MODULES / SUBWORKFLOWS +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +*/ + +include { UTILS_NFVALIDATION_PLUGIN } from '../../nf-core/utils_nfvalidation_plugin' +include { paramsSummaryMap } from 'plugin/nf-validation' +include { fromSamplesheet } from 'plugin/nf-validation' +include { UTILS_NEXTFLOW_PIPELINE } from '../../nf-core/utils_nextflow_pipeline' +include { completionEmail } from '../../nf-core/utils_nfcore_pipeline' +include { completionSummary } from '../../nf-core/utils_nfcore_pipeline' +include { dashedLine } from '../../nf-core/utils_nfcore_pipeline' +include { nfCoreLogo } from '../../nf-core/utils_nfcore_pipeline' +include { imNotification } from '../../nf-core/utils_nfcore_pipeline' +include { UTILS_NFCORE_PIPELINE } from '../../nf-core/utils_nfcore_pipeline' +include { workflowCitation } from '../../nf-core/utils_nfcore_pipeline' + +/* +======================================================================================== + SUBWORKFLOW TO INITIALISE PIPELINE +======================================================================================== +*/ + +workflow PIPELINE_INITIALISATION { + + take: + version // boolean: Display version and exit + help // boolean: Display help text + validate_params // boolean: Boolean whether to validate parameters against the schema at runtime + monochrome_logs // boolean: Do not use coloured log outputs + nextflow_cli_args // array: List of positional nextflow CLI args + outdir // string: The output directory where the results will be saved + input // string: Path to input samplesheet + + main: + + ch_versions = Channel.empty() + + // + // Print version and exit if required and dump pipeline parameters to JSON file + // + UTILS_NEXTFLOW_PIPELINE ( + version, + true, + outdir, + workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1 + ) + + // + // Validate parameters and generate parameter summary to stdout + // + pre_help_text = nfCoreLogo(monochrome_logs) + post_help_text = '\n' + workflowCitation() + '\n' + dashedLine(monochrome_logs) + def String workflow_command = "nextflow run ${workflow.manifest.name} -profile --input samplesheet.csv --outdir " + UTILS_NFVALIDATION_PLUGIN ( + help, + workflow_command, + pre_help_text, + post_help_text, + validate_params, + "nextflow_schema.json" + ) + + // + // Check config provided to the pipeline + // + UTILS_NFCORE_PIPELINE ( + nextflow_cli_args + ) + // + // Custom validation for pipeline parameters + // + validateInputParameters() + + // + // Create channel from input file provided through params.input + // + Channel + .fromSamplesheet("input") + .map { + meta, fastq_1, fastq_2 -> + if (!fastq_2) { + return [ meta.id, meta + [ single_end:true ], [ fastq_1 ] ] + } else { + return [ meta.id, meta + [ single_end:false ], [ fastq_1, fastq_2 ] ] + } + } + .groupTuple() + .map { + validateInputSamplesheet(it) + } + .map { + meta, fastqs -> + return [ meta, fastqs.flatten() ] + } + .set { ch_samplesheet } + + emit: + samplesheet = ch_samplesheet + versions = ch_versions +} + +/* +======================================================================================== + SUBWORKFLOW FOR PIPELINE COMPLETION +======================================================================================== +*/ + +workflow PIPELINE_COMPLETION { + + take: + email // string: email address + email_on_fail // string: email address sent on pipeline failure + plaintext_email // boolean: Send plain-text email instead of HTML + outdir // path: Path to output directory where results will be published + monochrome_logs // boolean: Disable ANSI colour codes in log output + hook_url // string: hook URL for notifications + multiqc_report // string: Path to MultiQC report + + main: + + summary_params = paramsSummaryMap(workflow, parameters_schema: "nextflow_schema.json") + + // + // Completion email and summary + // + workflow.onComplete { + if (email || email_on_fail) { + completionEmail(summary_params, email, email_on_fail, plaintext_email, outdir, monochrome_logs, multiqc_report.toList()) + } + + completionSummary(monochrome_logs) + + if (hook_url) { + imNotification(summary_params, hook_url) + } + } +} + +/* +======================================================================================== + FUNCTIONS +======================================================================================== +*/ +// +// Check and validate pipeline parameters +// +def validateInputParameters() { + genomeExistsError() +}// +// Validate channels from input samplesheet +// +def validateInputSamplesheet(input) { + def (metas, fastqs) = input[1..2] + + // Check that multiple runs of the same sample are of the same datatype i.e. single-end / paired-end + def endedness_ok = metas.collect{ it.single_end }.unique().size == 1 + if (!endedness_ok) { + error("Please check input samplesheet -> Multiple runs of a sample must be of the same datatype i.e. single-end or paired-end: ${metas[0].id}") + } + + return [ metas[0], fastqs ] +} +// +// Get attribute from genome config file e.g. fasta +// +def getGenomeAttribute(attribute) { + if (params.genomes && params.genome && params.genomes.containsKey(params.genome)) { + if (params.genomes[ params.genome ].containsKey(attribute)) { + return params.genomes[ params.genome ][ attribute ] + } + } + return null +} + +// +// Exit pipeline if incorrect --genome key provided +// +def genomeExistsError() { + if (params.genomes && params.genome && !params.genomes.containsKey(params.genome)) { + def error_string = "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + + " Genome '${params.genome}' not found in any config files provided to the pipeline.\n" + + " Currently, the available genome keys are:\n" + + " ${params.genomes.keySet().join(", ")}\n" + + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + error(error_string) + } +}// +// Generate methods description for MultiQC +// +def toolCitationText() { + // TODO nf-core: Optionally add in-text citation tools to this list. + // Can use ternary operators to dynamically construct based conditions, e.g. params["run_xyz"] ? "Tool (Foo et al. 2023)" : "", + // Uncomment function in methodsDescriptionText to render in MultiQC report + def citation_text = [ + "Tools used in the workflow included:", + "FastQC (Andrews 2010),", + "MultiQC (Ewels et al. 2016)", + "." + ].join(' ').trim() + + return citation_text +} + +def toolBibliographyText() { + // TODO nf-core: Optionally add bibliographic entries to this list. + // Can use ternary operators to dynamically construct based conditions, e.g. params["run_xyz"] ? "
  • Author (2023) Pub name, Journal, DOI
    • " : "", + // Uncomment function in methodsDescriptionText to render in MultiQC report + def reference_text = [ + "
  • Andrews S, (2010) FastQC, URL: https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
    • ", + "
  • Ewels, P., Magnusson, M., Lundin, S., & Käller, M. (2016). MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics , 32(19), 3047–3048. doi: /10.1093/bioinformatics/btw354
    • " + ].join(' ').trim() + + return reference_text +} + +def methodsDescriptionText(mqc_methods_yaml) { + // Convert to a named map so can be used as with familar NXF ${workflow} variable syntax in the MultiQC YML file + def meta = [:] + meta.workflow = workflow.toMap() + meta["manifest_map"] = workflow.manifest.toMap() + + // Pipeline DOI + meta["doi_text"] = meta.manifest_map.doi ? "(doi: ${meta.manifest_map.doi})" : "" + meta["nodoi_text"] = meta.manifest_map.doi ? "": "
  • If available, make sure to update the text to include the Zenodo DOI of version of the pipeline used.
    • " + + // Tool references + meta["tool_citations"] = "" + meta["tool_bibliography"] = "" + + // TODO nf-core: Only uncomment below if logic in toolCitationText/toolBibliographyText has been filled! + // meta["tool_citations"] = toolCitationText().replaceAll(", \\.", ".").replaceAll("\\. \\.", ".").replaceAll(", \\.", ".") + // meta["tool_bibliography"] = toolBibliographyText() + + + def methods_text = mqc_methods_yaml.text + + def engine = new groovy.text.SimpleTemplateEngine() + def description_html = engine.createTemplate(methods_text).make(meta) + + return description_html.toString() +} diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf new file mode 100644 index 00000000..ac31f28f --- /dev/null +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -0,0 +1,126 @@ +// +// Subworkflow with functionality that may be useful for any Nextflow pipeline +// + +import org.yaml.snakeyaml.Yaml +import groovy.json.JsonOutput +import nextflow.extension.FilesEx + +/* +======================================================================================== + SUBWORKFLOW DEFINITION +======================================================================================== +*/ + +workflow UTILS_NEXTFLOW_PIPELINE { + + take: + print_version // boolean: print version + dump_parameters // boolean: dump parameters + outdir // path: base directory used to publish pipeline results + check_conda_channels // boolean: check conda channels + + main: + + // + // Print workflow version and exit on --version + // + if (print_version) { + log.info "${workflow.manifest.name} ${getWorkflowVersion()}" + System.exit(0) + } + + // + // Dump pipeline parameters to a JSON file + // + if (dump_parameters && outdir) { + dumpParametersToJSON(outdir) + } + + // + // When running with Conda, warn if channels have not been set-up appropriately + // + if (check_conda_channels) { + checkCondaChannels() + } + + emit: + dummy_emit = true +} + +/* +======================================================================================== + FUNCTIONS +======================================================================================== +*/ + +// +// Generate version string +// +def getWorkflowVersion() { + String version_string = "" + if (workflow.manifest.version) { + def prefix_v = workflow.manifest.version[0] != 'v' ? 'v' : '' + version_string += "${prefix_v}${workflow.manifest.version}" + } + + if (workflow.commitId) { + def git_shortsha = workflow.commitId.substring(0, 7) + version_string += "-g${git_shortsha}" + } + + return version_string +} + +// +// Dump pipeline parameters to a JSON file +// +def dumpParametersToJSON(outdir) { + def timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') + def filename = "params_${timestamp}.json" + def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") + def jsonStr = JsonOutput.toJson(params) + temp_pf.text = JsonOutput.prettyPrint(jsonStr) + + FilesEx.copyTo(temp_pf.toPath(), "${outdir}/pipeline_info/params_${timestamp}.json") + temp_pf.delete() +} + +// +// When running with -profile conda, warn if channels have not been set-up appropriately +// +def checkCondaChannels() { + Yaml parser = new Yaml() + def channels = [] + try { + def config = parser.load("conda config --show channels".execute().text) + channels = config.channels + } catch(NullPointerException | IOException e) { + log.warn "Could not verify conda channel configuration." + return + } + + // Check that all channels are present + // This channel list is ordered by required channel priority. + def required_channels_in_order = ['conda-forge', 'bioconda', 'defaults'] + def channels_missing = ((required_channels_in_order as Set) - (channels as Set)) as Boolean + + // Check that they are in the right order + def channel_priority_violation = false + def n = required_channels_in_order.size() + for (int i = 0; i < n - 1; i++) { + channel_priority_violation |= !(channels.indexOf(required_channels_in_order[i]) < channels.indexOf(required_channels_in_order[i+1])) + } + + if (channels_missing | channel_priority_violation) { + log.warn "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + + " There is a problem with your Conda configuration!\n\n" + + " You will need to set-up the conda-forge and bioconda channels correctly.\n" + + " Please refer to https://bioconda.github.io/\n" + + " The observed channel order is \n" + + " ${channels}\n" + + " but the following channel order is required:\n" + + " ${required_channels_in_order}\n" + + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + } +} diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/meta.yml b/subworkflows/nf-core/utils_nextflow_pipeline/meta.yml new file mode 100644 index 00000000..e5c3a0a8 --- /dev/null +++ b/subworkflows/nf-core/utils_nextflow_pipeline/meta.yml @@ -0,0 +1,38 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/subworkflows/yaml-schema.json +name: "UTILS_NEXTFLOW_PIPELINE" +description: Subworkflow with functionality that may be useful for any Nextflow pipeline +keywords: + - utility + - pipeline + - initialise + - version +components: [] +input: + - print_version: + type: boolean + description: | + Print the version of the pipeline and exit + - dump_parameters: + type: boolean + description: | + Dump the parameters of the pipeline to a JSON file + - output_directory: + type: directory + description: Path to output dir to write JSON file to. + pattern: "results/" + - check_conda_channel: + type: boolean + description: | + Check if the conda channel priority is correct. +output: + - dummy_emit: + type: boolean + description: | + Dummy emit to make nf-core subworkflows lint happy +authors: + - "@adamrtalbot" + - "@drpatelh" +maintainers: + - "@adamrtalbot" + - "@drpatelh" + - "@maxulysse" diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test new file mode 100644 index 00000000..8ed4310c --- /dev/null +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test @@ -0,0 +1,54 @@ + +nextflow_function { + + name "Test Functions" + script "subworkflows/nf-core/utils_nextflow_pipeline/main.nf" + config "subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config" + tag 'subworkflows' + tag 'utils_nextflow_pipeline' + tag 'subworkflows/utils_nextflow_pipeline' + + test("Test Function getWorkflowVersion") { + + function "getWorkflowVersion" + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } + + test("Test Function dumpParametersToJSON") { + + function "dumpParametersToJSON" + + when { + function { + """ + // define inputs of the function here. Example: + input[0] = "$outputDir" + """.stripIndent() + } + } + + then { + assertAll( + { assert function.success } + ) + } + } + + test("Test Function checkCondaChannels") { + + function "checkCondaChannels" + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } +} \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap new file mode 100644 index 00000000..db2030f8 --- /dev/null +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap @@ -0,0 +1,12 @@ +{ + "Test Function getWorkflowVersion": { + "content": [ + "v9.9.9" + ], + "timestamp": "2024-01-19T11:32:36.031083" + }, + "Test Function checkCondaChannels": { + "content": null, + "timestamp": "2024-01-19T11:32:50.456" + } +} \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test new file mode 100644 index 00000000..f7c54bc6 --- /dev/null +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test @@ -0,0 +1,123 @@ +nextflow_workflow { + + name "Test Workflow UTILS_NEXTFLOW_PIPELINE" + script "../main.nf" + config "subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config" + workflow "UTILS_NEXTFLOW_PIPELINE" + tag 'subworkflows' + tag 'utils_nextflow_pipeline' + tag 'subworkflows/utils_nextflow_pipeline' + + test("Should run no inputs") { + + when { + params { + outdir = "tests/results" + } + workflow { + """ + print_version = false + dump_parameters = false + outdir = null + check_conda_channels = false + + input[0] = print_version + input[1] = dump_parameters + input[2] = outdir + input[3] = check_conda_channels + """ + } + } + + then { + assertAll( + { assert workflow.success } + ) + } + } + + test("Should print version") { + + when { + params { + outdir = "tests/results" + } + workflow { + """ + print_version = true + dump_parameters = false + outdir = null + check_conda_channels = false + + input[0] = print_version + input[1] = dump_parameters + input[2] = outdir + input[3] = check_conda_channels + """ + } + } + + then { + assertAll( + { assert workflow.success }, + { assert workflow.stdout.contains("nextflow_workflow v9.9.9") } + ) + } + } + + test("Should dump params") { + + when { + params { + outdir = "$outputDir" + } + workflow { + """ + print_version = false + dump_parameters = true + outdir = params.outdir + check_conda_channels = false + + input[0] = false + input[1] = true + input[2] = params.outdir + input[3] = false + """ + } + } + + then { + assertAll( + { assert workflow.success } + ) + } + } + + test("Should not create params JSON if no output directory") { + + when { + params { + outdir = "$outputDir" + } + workflow { + """ + print_version = false + dump_parameters = true + outdir = params.outdir + check_conda_channels = false + + input[0] = false + input[1] = true + input[2] = null + input[3] = false + """ + } + } + + then { + assertAll( + { assert workflow.success } + ) + } + } +} diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config b/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config new file mode 100644 index 00000000..53574ffe --- /dev/null +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config @@ -0,0 +1,9 @@ +manifest { + name = 'nextflow_workflow' + author = """nf-core""" + homePage = 'https://127.0.0.1' + description = """Dummy pipeline""" + nextflowVersion = '!>=23.04.0' + version = '9.9.9' + doi = 'https://doi.org/10.5281/zenodo.5070524' +} \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/tags.yml b/subworkflows/nf-core/utils_nextflow_pipeline/tests/tags.yml new file mode 100644 index 00000000..f8476112 --- /dev/null +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/tags.yml @@ -0,0 +1,2 @@ +subworkflows/utils_nextflow_pipeline: + - subworkflows/nf-core/utils_nextflow_pipeline/** diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf new file mode 100644 index 00000000..a8b55d6f --- /dev/null +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -0,0 +1,440 @@ +// +// Subworkflow with utility functions specific to the nf-core pipeline template +// + +import org.yaml.snakeyaml.Yaml +import nextflow.extension.FilesEx + +/* +======================================================================================== + SUBWORKFLOW DEFINITION +======================================================================================== +*/ + +workflow UTILS_NFCORE_PIPELINE { + + take: + nextflow_cli_args + + main: + valid_config = checkConfigProvided() + checkProfileProvided(nextflow_cli_args) + + emit: + valid_config +} + +/* +======================================================================================== + FUNCTIONS +======================================================================================== +*/ + +// +// Warn if a -profile or Nextflow config has not been provided to run the pipeline +// +def checkConfigProvided() { + valid_config = true + if (workflow.profile == 'standard' && workflow.configFiles.size() <= 1) { + log.warn "[$workflow.manifest.name] You are attempting to run the pipeline without any custom configuration!\n\n" + + "This will be dependent on your local compute environment but can be achieved via one or more of the following:\n" + + " (1) Using an existing pipeline profile e.g. `-profile docker` or `-profile singularity`\n" + + " (2) Using an existing nf-core/configs for your Institution e.g. `-profile crick` or `-profile uppmax`\n" + + " (3) Using your own local custom config e.g. `-c /path/to/your/custom.config`\n\n" + + "Please refer to the quick start section and usage docs for the pipeline.\n " + valid_config = false + } + return valid_config +} + +// +// Exit pipeline if --profile contains spaces +// +def checkProfileProvided(nextflow_cli_args) { + if (workflow.profile.endsWith(',')) { + error "The `-profile` option cannot end with a trailing comma, please remove it and re-run the pipeline!\n" + + "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + } + if (nextflow_cli_args[0]) { + log.warn "nf-core pipelines do not accept positional arguments. The positional argument `${nextflow_cli_args[0]}` has been detected.\n" + + "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + } +} + +// +// Citation string for pipeline +// +def workflowCitation() { + return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + + "* The pipeline\n" + + " ${workflow.manifest.doi}\n\n" + + "* The nf-core framework\n" + + " https://doi.org/10.1038/s41587-020-0439-x\n\n" + + "* Software dependencies\n" + + " https://github.com/${workflow.manifest.name}/blob/master/CITATIONS.md" +} + +// +// Generate workflow version string +// +def getWorkflowVersion() { + String version_string = "" + if (workflow.manifest.version) { + def prefix_v = workflow.manifest.version[0] != 'v' ? 'v' : '' + version_string += "${prefix_v}${workflow.manifest.version}" + } + + if (workflow.commitId) { + def git_shortsha = workflow.commitId.substring(0, 7) + version_string += "-g${git_shortsha}" + } + + return version_string +} + +// +// Get software versions for pipeline +// +def processVersionsFromYAML(yaml_file) { + Yaml yaml = new Yaml() + versions = yaml.load(yaml_file).collectEntries { k, v -> [ k.tokenize(':')[-1], v ] } + return yaml.dumpAsMap(versions).trim() +} + +// +// Get workflow version for pipeline +// +def workflowVersionToYAML() { + return """ + Workflow: + $workflow.manifest.name: ${getWorkflowVersion()} + Nextflow: $workflow.nextflow.version + """.stripIndent().trim() +} + +// +// Get channel of software versions used in pipeline in YAML format +// +def softwareVersionsToYAML(ch_versions) { + return ch_versions + .unique() + .map { processVersionsFromYAML(it) } + .unique() + .mix(Channel.of(workflowVersionToYAML())) +} + +// +// Get workflow summary for MultiQC +// +def paramsSummaryMultiqc(summary_params) { + def summary_section = '' + for (group in summary_params.keySet()) { + def group_params = summary_params.get(group) // This gets the parameters of that particular group + if (group_params) { + summary_section += "

    $group

    \n" + summary_section += "
    \n" + for (param in group_params.keySet()) { + summary_section += "
    $param
    ${group_params.get(param) ?: 'N/A'}
    \n" + } + summary_section += "
    \n" + } + } + + String yaml_file_text = "id: '${workflow.manifest.name.replace('/','-')}-summary'\n" + yaml_file_text += "description: ' - this information is collected when the pipeline is started.'\n" + yaml_file_text += "section_name: '${workflow.manifest.name} Workflow Summary'\n" + yaml_file_text += "section_href: 'https://github.com/${workflow.manifest.name}'\n" + yaml_file_text += "plot_type: 'html'\n" + yaml_file_text += "data: |\n" + yaml_file_text += "${summary_section}" + + return yaml_file_text +} + +// +// nf-core logo +// +def nfCoreLogo(monochrome_logs=true) { + Map colors = logColours(monochrome_logs) + String.format( + """\n + ${dashedLine(monochrome_logs)} + ${colors.green},--.${colors.black}/${colors.green},-.${colors.reset} + ${colors.blue} ___ __ __ __ ___ ${colors.green}/,-._.--~\'${colors.reset} + ${colors.blue} |\\ | |__ __ / ` / \\ |__) |__ ${colors.yellow}} {${colors.reset} + ${colors.blue} | \\| | \\__, \\__/ | \\ |___ ${colors.green}\\`-._,-`-,${colors.reset} + ${colors.green}`._,._,\'${colors.reset} + ${colors.purple} ${workflow.manifest.name} ${getWorkflowVersion()}${colors.reset} + ${dashedLine(monochrome_logs)} + """.stripIndent() + ) +} + +// +// Return dashed line +// +def dashedLine(monochrome_logs=true) { + Map colors = logColours(monochrome_logs) + return "-${colors.dim}----------------------------------------------------${colors.reset}-" +} + +// +// ANSII colours used for terminal logging +// +def logColours(monochrome_logs=true) { + Map colorcodes = [:] + + // Reset / Meta + colorcodes['reset'] = monochrome_logs ? '' : "\033[0m" + colorcodes['bold'] = monochrome_logs ? '' : "\033[1m" + colorcodes['dim'] = monochrome_logs ? '' : "\033[2m" + colorcodes['underlined'] = monochrome_logs ? '' : "\033[4m" + colorcodes['blink'] = monochrome_logs ? '' : "\033[5m" + colorcodes['reverse'] = monochrome_logs ? '' : "\033[7m" + colorcodes['hidden'] = monochrome_logs ? '' : "\033[8m" + + // Regular Colors + colorcodes['black'] = monochrome_logs ? '' : "\033[0;30m" + colorcodes['red'] = monochrome_logs ? '' : "\033[0;31m" + colorcodes['green'] = monochrome_logs ? '' : "\033[0;32m" + colorcodes['yellow'] = monochrome_logs ? '' : "\033[0;33m" + colorcodes['blue'] = monochrome_logs ? '' : "\033[0;34m" + colorcodes['purple'] = monochrome_logs ? '' : "\033[0;35m" + colorcodes['cyan'] = monochrome_logs ? '' : "\033[0;36m" + colorcodes['white'] = monochrome_logs ? '' : "\033[0;37m" + + // Bold + colorcodes['bblack'] = monochrome_logs ? '' : "\033[1;30m" + colorcodes['bred'] = monochrome_logs ? '' : "\033[1;31m" + colorcodes['bgreen'] = monochrome_logs ? '' : "\033[1;32m" + colorcodes['byellow'] = monochrome_logs ? '' : "\033[1;33m" + colorcodes['bblue'] = monochrome_logs ? '' : "\033[1;34m" + colorcodes['bpurple'] = monochrome_logs ? '' : "\033[1;35m" + colorcodes['bcyan'] = monochrome_logs ? '' : "\033[1;36m" + colorcodes['bwhite'] = monochrome_logs ? '' : "\033[1;37m" + + // Underline + colorcodes['ublack'] = monochrome_logs ? '' : "\033[4;30m" + colorcodes['ured'] = monochrome_logs ? '' : "\033[4;31m" + colorcodes['ugreen'] = monochrome_logs ? '' : "\033[4;32m" + colorcodes['uyellow'] = monochrome_logs ? '' : "\033[4;33m" + colorcodes['ublue'] = monochrome_logs ? '' : "\033[4;34m" + colorcodes['upurple'] = monochrome_logs ? '' : "\033[4;35m" + colorcodes['ucyan'] = monochrome_logs ? '' : "\033[4;36m" + colorcodes['uwhite'] = monochrome_logs ? '' : "\033[4;37m" + + // High Intensity + colorcodes['iblack'] = monochrome_logs ? '' : "\033[0;90m" + colorcodes['ired'] = monochrome_logs ? '' : "\033[0;91m" + colorcodes['igreen'] = monochrome_logs ? '' : "\033[0;92m" + colorcodes['iyellow'] = monochrome_logs ? '' : "\033[0;93m" + colorcodes['iblue'] = monochrome_logs ? '' : "\033[0;94m" + colorcodes['ipurple'] = monochrome_logs ? '' : "\033[0;95m" + colorcodes['icyan'] = monochrome_logs ? '' : "\033[0;96m" + colorcodes['iwhite'] = monochrome_logs ? '' : "\033[0;97m" + + // Bold High Intensity + colorcodes['biblack'] = monochrome_logs ? '' : "\033[1;90m" + colorcodes['bired'] = monochrome_logs ? '' : "\033[1;91m" + colorcodes['bigreen'] = monochrome_logs ? '' : "\033[1;92m" + colorcodes['biyellow'] = monochrome_logs ? '' : "\033[1;93m" + colorcodes['biblue'] = monochrome_logs ? '' : "\033[1;94m" + colorcodes['bipurple'] = monochrome_logs ? '' : "\033[1;95m" + colorcodes['bicyan'] = monochrome_logs ? '' : "\033[1;96m" + colorcodes['biwhite'] = monochrome_logs ? '' : "\033[1;97m" + + return colorcodes +} + +// +// Attach the multiqc report to email +// +def attachMultiqcReport(multiqc_report) { + def mqc_report = null + try { + if (workflow.success) { + mqc_report = multiqc_report.getVal() + if (mqc_report.getClass() == ArrayList && mqc_report.size() >= 1) { + if (mqc_report.size() > 1) { + log.warn "[$workflow.manifest.name] Found multiple reports from process 'MULTIQC', will use only one" + } + mqc_report = mqc_report[0] + } + } + } catch (all) { + if (multiqc_report) { + log.warn "[$workflow.manifest.name] Could not attach MultiQC report to summary email" + } + } + return mqc_report +} + +// +// Construct and send completion email +// +def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdir, monochrome_logs=true, multiqc_report=null) { + + // Set up the e-mail variables + def subject = "[$workflow.manifest.name] Successful: $workflow.runName" + if (!workflow.success) { + subject = "[$workflow.manifest.name] FAILED: $workflow.runName" + } + + def summary = [:] + for (group in summary_params.keySet()) { + summary << summary_params[group] + } + + def misc_fields = [:] + misc_fields['Date Started'] = workflow.start + misc_fields['Date Completed'] = workflow.complete + misc_fields['Pipeline script file path'] = workflow.scriptFile + misc_fields['Pipeline script hash ID'] = workflow.scriptId + if (workflow.repository) misc_fields['Pipeline repository Git URL'] = workflow.repository + if (workflow.commitId) misc_fields['Pipeline repository Git Commit'] = workflow.commitId + if (workflow.revision) misc_fields['Pipeline Git branch/tag'] = workflow.revision + misc_fields['Nextflow Version'] = workflow.nextflow.version + misc_fields['Nextflow Build'] = workflow.nextflow.build + misc_fields['Nextflow Compile Timestamp'] = workflow.nextflow.timestamp + + def email_fields = [:] + email_fields['version'] = getWorkflowVersion() + email_fields['runName'] = workflow.runName + email_fields['success'] = workflow.success + email_fields['dateComplete'] = workflow.complete + email_fields['duration'] = workflow.duration + email_fields['exitStatus'] = workflow.exitStatus + email_fields['errorMessage'] = (workflow.errorMessage ?: 'None') + email_fields['errorReport'] = (workflow.errorReport ?: 'None') + email_fields['commandLine'] = workflow.commandLine + email_fields['projectDir'] = workflow.projectDir + email_fields['summary'] = summary << misc_fields + + // On success try attach the multiqc report + def mqc_report = attachMultiqcReport(multiqc_report) + + // Check if we are only sending emails on failure + def email_address = email + if (!email && email_on_fail && !workflow.success) { + email_address = email_on_fail + } + + // Render the TXT template + def engine = new groovy.text.GStringTemplateEngine() + def tf = new File("${workflow.projectDir}/assets/email_template.txt") + def txt_template = engine.createTemplate(tf).make(email_fields) + def email_txt = txt_template.toString() + + // Render the HTML template + def hf = new File("${workflow.projectDir}/assets/email_template.html") + def html_template = engine.createTemplate(hf).make(email_fields) + def email_html = html_template.toString() + + // Render the sendmail template + def max_multiqc_email_size = (params.containsKey('max_multiqc_email_size') ? params.max_multiqc_email_size : 0) as nextflow.util.MemoryUnit + def smail_fields = [ email: email_address, subject: subject, email_txt: email_txt, email_html: email_html, projectDir: "${workflow.projectDir}", mqcFile: mqc_report, mqcMaxSize: max_multiqc_email_size.toBytes() ] + def sf = new File("${workflow.projectDir}/assets/sendmail_template.txt") + def sendmail_template = engine.createTemplate(sf).make(smail_fields) + def sendmail_html = sendmail_template.toString() + + // Send the HTML e-mail + Map colors = logColours(monochrome_logs) + if (email_address) { + try { + if (plaintext_email) { throw GroovyException('Send plaintext e-mail, not HTML') } + // Try to send HTML e-mail using sendmail + def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") + sendmail_tf.withWriter { w -> w << sendmail_html } + [ 'sendmail', '-t' ].execute() << sendmail_html + log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (sendmail)-" + } catch (all) { + // Catch failures and try with plaintext + def mail_cmd = [ 'mail', '-s', subject, '--content-type=text/html', email_address ] + mail_cmd.execute() << email_html + log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (mail)-" + } + } + + // Write summary e-mail HTML to a file + def output_hf = new File(workflow.launchDir.toString(), ".pipeline_report.html") + output_hf.withWriter { w -> w << email_html } + FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html"); + output_hf.delete() + + // Write summary e-mail TXT to a file + def output_tf = new File(workflow.launchDir.toString(), ".pipeline_report.txt") + output_tf.withWriter { w -> w << email_txt } + FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt"); + output_tf.delete() +} + +// +// Print pipeline summary on completion +// +def completionSummary(monochrome_logs=true) { + Map colors = logColours(monochrome_logs) + if (workflow.success) { + if (workflow.stats.ignoredCount == 0) { + log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Pipeline completed successfully${colors.reset}-" + } else { + log.info "-${colors.purple}[$workflow.manifest.name]${colors.yellow} Pipeline completed successfully, but with errored process(es) ${colors.reset}-" + } + } else { + log.info "-${colors.purple}[$workflow.manifest.name]${colors.red} Pipeline completed with errors${colors.reset}-" + } +} + +// +// Construct and send a notification to a web server as JSON e.g. Microsoft Teams and Slack +// +def imNotification(summary_params, hook_url) { + def summary = [:] + for (group in summary_params.keySet()) { + summary << summary_params[group] + } + + def misc_fields = [:] + misc_fields['start'] = workflow.start + misc_fields['complete'] = workflow.complete + misc_fields['scriptfile'] = workflow.scriptFile + misc_fields['scriptid'] = workflow.scriptId + if (workflow.repository) misc_fields['repository'] = workflow.repository + if (workflow.commitId) misc_fields['commitid'] = workflow.commitId + if (workflow.revision) misc_fields['revision'] = workflow.revision + misc_fields['nxf_version'] = workflow.nextflow.version + misc_fields['nxf_build'] = workflow.nextflow.build + misc_fields['nxf_timestamp'] = workflow.nextflow.timestamp + + def msg_fields = [:] + msg_fields['version'] = getWorkflowVersion() + msg_fields['runName'] = workflow.runName + msg_fields['success'] = workflow.success + msg_fields['dateComplete'] = workflow.complete + msg_fields['duration'] = workflow.duration + msg_fields['exitStatus'] = workflow.exitStatus + msg_fields['errorMessage'] = (workflow.errorMessage ?: 'None') + msg_fields['errorReport'] = (workflow.errorReport ?: 'None') + msg_fields['commandLine'] = workflow.commandLine.replaceFirst(/ +--hook_url +[^ ]+/, "") + msg_fields['projectDir'] = workflow.projectDir + msg_fields['summary'] = summary << misc_fields + + // Render the JSON template + def engine = new groovy.text.GStringTemplateEngine() + // Different JSON depending on the service provider + // Defaults to "Adaptive Cards" (https://adaptivecards.io), except Slack which has its own format + def json_path = hook_url.contains("hooks.slack.com") ? "slackreport.json" : "adaptivecard.json" + def hf = new File("${workflow.projectDir}/assets/${json_path}") + def json_template = engine.createTemplate(hf).make(msg_fields) + def json_message = json_template.toString() + + // POST + def post = new URL(hook_url).openConnection(); + post.setRequestMethod("POST") + post.setDoOutput(true) + post.setRequestProperty("Content-Type", "application/json") + post.getOutputStream().write(json_message.getBytes("UTF-8")); + def postRC = post.getResponseCode(); + if (! postRC.equals(200)) { + log.warn(post.getErrorStream().getText()); + } +} diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/meta.yml b/subworkflows/nf-core/utils_nfcore_pipeline/meta.yml new file mode 100644 index 00000000..d08d2434 --- /dev/null +++ b/subworkflows/nf-core/utils_nfcore_pipeline/meta.yml @@ -0,0 +1,24 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/subworkflows/yaml-schema.json +name: "UTILS_NFCORE_PIPELINE" +description: Subworkflow with utility functions specific to the nf-core pipeline template +keywords: + - utility + - pipeline + - initialise + - version +components: [] +input: + - nextflow_cli_args: + type: list + description: | + Nextflow CLI positional arguments +output: + - success: + type: boolean + description: | + Dummy output to indicate success +authors: + - "@adamrtalbot" +maintainers: + - "@adamrtalbot" + - "@maxulysse" diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test new file mode 100644 index 00000000..1dc317f8 --- /dev/null +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test @@ -0,0 +1,134 @@ + +nextflow_function { + + name "Test Functions" + script "../main.nf" + config "subworkflows/nf-core/utils_nfcore_pipeline/tests/nextflow.config" + tag "subworkflows" + tag "subworkflows_nfcore" + tag "utils_nfcore_pipeline" + tag "subworkflows/utils_nfcore_pipeline" + + test("Test Function checkConfigProvided") { + + function "checkConfigProvided" + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } + + test("Test Function checkProfileProvided") { + + function "checkProfileProvided" + + when { + function { + """ + input[0] = [] + """ + } + } + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } + + test("Test Function workflowCitation") { + + function "workflowCitation" + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } + + test("Test Function nfCoreLogo") { + + function "nfCoreLogo" + + when { + function { + """ + input[0] = false + """ + } + } + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } + + test("Test Function dashedLine") { + + function "dashedLine" + + when { + function { + """ + input[0] = false + """ + } + } + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } + + test("Test Function without logColours") { + + function "logColours" + + when { + function { + """ + input[0] = true + """ + } + } + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } + + test("Test Function with logColours") { + function "logColours" + + when { + function { + """ + input[0] = false + """ + } + } + + then { + assertAll( + { assert function.success }, + { assert snapshot(function.result).match() } + ) + } + } +} diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap new file mode 100644 index 00000000..10f948e6 --- /dev/null +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap @@ -0,0 +1,138 @@ +{ + "Test Function checkProfileProvided": { + "content": null, + "timestamp": "2024-02-09T15:43:55.145717" + }, + "Test Function checkConfigProvided": { + "content": [ + true + ], + "timestamp": "2024-01-19T11:34:13.548431224" + }, + "Test Function nfCoreLogo": { + "content": [ + "\n\n-\u001b[2m----------------------------------------------------\u001b[0m-\n \u001b[0;32m,--.\u001b[0;30m/\u001b[0;32m,-.\u001b[0m\n\u001b[0;34m ___ __ __ __ ___ \u001b[0;32m/,-._.--~'\u001b[0m\n\u001b[0;34m |\\ | |__ __ / ` / \\ |__) |__ \u001b[0;33m} {\u001b[0m\n\u001b[0;34m | \\| | \\__, \\__/ | \\ |___ \u001b[0;32m\\`-._,-`-,\u001b[0m\n \u001b[0;32m`._,._,'\u001b[0m\n\u001b[0;35m nextflow_workflow v9.9.9\u001b[0m\n-\u001b[2m----------------------------------------------------\u001b[0m-\n" + ], + "timestamp": "2024-01-19T11:34:38.840454873" + }, + "Test Function workflowCitation": { + "content": [ + "If you use nextflow_workflow for your analysis please cite:\n\n* The pipeline\n https://doi.org/10.5281/zenodo.5070524\n\n* The nf-core framework\n https://doi.org/10.1038/s41587-020-0439-x\n\n* Software dependencies\n https://github.com/nextflow_workflow/blob/master/CITATIONS.md" + ], + "timestamp": "2024-01-19T11:34:22.24352016" + }, + "Test Function without logColours": { + "content": [ + { + "reset": "", + "bold": "", + "dim": "", + "underlined": "", + "blink": "", + "reverse": "", + "hidden": "", + "black": "", + "red": "", + "green": "", + "yellow": "", + "blue": "", + "purple": "", + "cyan": "", + "white": "", + "bblack": "", + "bred": "", + "bgreen": "", + "byellow": "", + "bblue": "", + "bpurple": "", + "bcyan": "", + "bwhite": "", + "ublack": "", + "ured": "", + "ugreen": "", + "uyellow": "", + "ublue": "", + "upurple": "", + "ucyan": "", + "uwhite": "", + "iblack": "", + "ired": "", + "igreen": "", + "iyellow": "", + "iblue": "", + "ipurple": "", + "icyan": "", + "iwhite": "", + "biblack": "", + "bired": "", + "bigreen": "", + "biyellow": "", + "biblue": "", + "bipurple": "", + "bicyan": "", + "biwhite": "" + } + ], + "timestamp": "2024-01-19T11:35:04.418416984" + }, + "Test Function dashedLine": { + "content": [ + "-\u001b[2m----------------------------------------------------\u001b[0m-" + ], + "timestamp": "2024-01-19T11:34:55.420000755" + }, + "Test Function with logColours": { + "content": [ + { + "reset": "\u001b[0m", + "bold": "\u001b[1m", + "dim": "\u001b[2m", + "underlined": "\u001b[4m", + "blink": "\u001b[5m", + "reverse": "\u001b[7m", + "hidden": "\u001b[8m", + "black": "\u001b[0;30m", + "red": "\u001b[0;31m", + "green": "\u001b[0;32m", + "yellow": "\u001b[0;33m", + "blue": "\u001b[0;34m", + "purple": "\u001b[0;35m", + "cyan": "\u001b[0;36m", + "white": "\u001b[0;37m", + "bblack": "\u001b[1;30m", + "bred": "\u001b[1;31m", + "bgreen": "\u001b[1;32m", + "byellow": "\u001b[1;33m", + "bblue": "\u001b[1;34m", + "bpurple": "\u001b[1;35m", + "bcyan": "\u001b[1;36m", + "bwhite": "\u001b[1;37m", + "ublack": "\u001b[4;30m", + "ured": "\u001b[4;31m", + "ugreen": "\u001b[4;32m", + "uyellow": "\u001b[4;33m", + "ublue": "\u001b[4;34m", + "upurple": "\u001b[4;35m", + "ucyan": "\u001b[4;36m", + "uwhite": "\u001b[4;37m", + "iblack": "\u001b[0;90m", + "ired": "\u001b[0;91m", + "igreen": "\u001b[0;92m", + "iyellow": "\u001b[0;93m", + "iblue": "\u001b[0;94m", + "ipurple": "\u001b[0;95m", + "icyan": "\u001b[0;96m", + "iwhite": "\u001b[0;97m", + "biblack": "\u001b[1;90m", + "bired": "\u001b[1;91m", + "bigreen": "\u001b[1;92m", + "biyellow": "\u001b[1;93m", + "biblue": "\u001b[1;94m", + "bipurple": "\u001b[1;95m", + "bicyan": "\u001b[1;96m", + "biwhite": "\u001b[1;97m" + } + ], + "timestamp": "2024-01-19T11:35:13.436366565" + } +} \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test new file mode 100644 index 00000000..8940d32d --- /dev/null +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test @@ -0,0 +1,29 @@ +nextflow_workflow { + + name "Test Workflow UTILS_NFCORE_PIPELINE" + script "../main.nf" + config "subworkflows/nf-core/utils_nfcore_pipeline/tests/nextflow.config" + workflow "UTILS_NFCORE_PIPELINE" + tag "subworkflows" + tag "subworkflows_nfcore" + tag "utils_nfcore_pipeline" + tag "subworkflows/utils_nfcore_pipeline" + + test("Should run without failures") { + + when { + workflow { + """ + input[0] = [] + """ + } + } + + then { + assertAll( + { assert workflow.success }, + { assert snapshot(workflow.out).match() } + ) + } + } +} diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test.snap b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test.snap new file mode 100644 index 00000000..d07ce54c --- /dev/null +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test.snap @@ -0,0 +1,15 @@ +{ + "Should run without failures": { + "content": [ + { + "0": [ + true + ], + "valid_config": [ + true + ] + } + ], + "timestamp": "2024-01-19T11:35:22.538940073" + } +} \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/nextflow.config b/subworkflows/nf-core/utils_nfcore_pipeline/tests/nextflow.config new file mode 100644 index 00000000..d0a926bf --- /dev/null +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/nextflow.config @@ -0,0 +1,9 @@ +manifest { + name = 'nextflow_workflow' + author = """nf-core""" + homePage = 'https://127.0.0.1' + description = """Dummy pipeline""" + nextflowVersion = '!>=23.04.0' + version = '9.9.9' + doi = 'https://doi.org/10.5281/zenodo.5070524' +} diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/tags.yml b/subworkflows/nf-core/utils_nfcore_pipeline/tests/tags.yml new file mode 100644 index 00000000..ac8523c9 --- /dev/null +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/tags.yml @@ -0,0 +1,2 @@ +subworkflows/utils_nfcore_pipeline: + - subworkflows/nf-core/utils_nfcore_pipeline/** diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf b/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf new file mode 100644 index 00000000..2585b65d --- /dev/null +++ b/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf @@ -0,0 +1,62 @@ +// +// Subworkflow that uses the nf-validation plugin to render help text and parameter summary +// + +/* +======================================================================================== + IMPORT NF-VALIDATION PLUGIN +======================================================================================== +*/ + +include { paramsHelp } from 'plugin/nf-validation' +include { paramsSummaryLog } from 'plugin/nf-validation' +include { validateParameters } from 'plugin/nf-validation' + +/* +======================================================================================== + SUBWORKFLOW DEFINITION +======================================================================================== +*/ + +workflow UTILS_NFVALIDATION_PLUGIN { + + take: + print_help // boolean: print help + workflow_command // string: default commmand used to run pipeline + pre_help_text // string: string to be printed before help text and summary log + post_help_text // string: string to be printed after help text and summary log + validate_params // boolean: validate parameters + schema_filename // path: JSON schema file, null to use default value + + main: + + log.debug "Using schema file: ${schema_filename}" + + // Default values for strings + pre_help_text = pre_help_text ?: '' + post_help_text = post_help_text ?: '' + workflow_command = workflow_command ?: '' + + // + // Print help message if needed + // + if (print_help) { + log.info pre_help_text + paramsHelp(workflow_command, parameters_schema: schema_filename) + post_help_text + System.exit(0) + } + + // + // Print parameter summary to stdout + // + log.info pre_help_text + paramsSummaryLog(workflow, parameters_schema: schema_filename) + post_help_text + + // + // Validate parameters relative to the parameter JSON schema + // + if (validate_params){ + validateParameters(parameters_schema: schema_filename) + } + + emit: + dummy_emit = true +} diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml b/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml new file mode 100644 index 00000000..3d4a6b04 --- /dev/null +++ b/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml @@ -0,0 +1,44 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/subworkflows/yaml-schema.json +name: "UTILS_NFVALIDATION_PLUGIN" +description: Use nf-validation to initiate and validate a pipeline +keywords: + - utility + - pipeline + - initialise + - validation +components: [] +input: + - print_help: + type: boolean + description: | + Print help message and exit + - workflow_command: + type: string + description: | + The command to run the workflow e.g. "nextflow run main.nf" + - pre_help_text: + type: string + description: | + Text to print before the help message + - post_help_text: + type: string + description: | + Text to print after the help message + - validate_params: + type: boolean + description: | + Validate the parameters and error if invalid. + - schema_filename: + type: string + description: | + The filename of the schema to validate against. +output: + - dummy_emit: + type: boolean + description: | + Dummy emit to make nf-core subworkflows lint happy +authors: + - "@adamrtalbot" +maintainers: + - "@adamrtalbot" + - "@maxulysse" diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test new file mode 100644 index 00000000..517ee54e --- /dev/null +++ b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test @@ -0,0 +1,200 @@ +nextflow_workflow { + + name "Test Workflow UTILS_NFVALIDATION_PLUGIN" + script "../main.nf" + workflow "UTILS_NFVALIDATION_PLUGIN" + tag "subworkflows" + tag "subworkflows_nfcore" + tag "plugin/nf-validation" + tag "'plugin/nf-validation'" + tag "utils_nfvalidation_plugin" + tag "subworkflows/utils_nfvalidation_plugin" + + test("Should run nothing") { + + when { + + params { + monochrome_logs = true + test_data = '' + } + + workflow { + """ + help = false + workflow_command = null + pre_help_text = null + post_help_text = null + validate_params = false + schema_filename = "$moduleTestDir/nextflow_schema.json" + + input[0] = help + input[1] = workflow_command + input[2] = pre_help_text + input[3] = post_help_text + input[4] = validate_params + input[5] = schema_filename + """ + } + } + + then { + assertAll( + { assert workflow.success } + ) + } + } + + test("Should run help") { + + + when { + + params { + monochrome_logs = true + test_data = '' + } + workflow { + """ + help = true + workflow_command = null + pre_help_text = null + post_help_text = null + validate_params = false + schema_filename = "$moduleTestDir/nextflow_schema.json" + + input[0] = help + input[1] = workflow_command + input[2] = pre_help_text + input[3] = post_help_text + input[4] = validate_params + input[5] = schema_filename + """ + } + } + + then { + assertAll( + { assert workflow.success }, + { assert workflow.exitStatus == 0 }, + { assert workflow.stdout.any { it.contains('Input/output options') } }, + { assert workflow.stdout.any { it.contains('--outdir') } } + ) + } + } + + test("Should run help with command") { + + when { + + params { + monochrome_logs = true + test_data = '' + } + workflow { + """ + help = true + workflow_command = "nextflow run noorg/doesntexist" + pre_help_text = null + post_help_text = null + validate_params = false + schema_filename = "$moduleTestDir/nextflow_schema.json" + + input[0] = help + input[1] = workflow_command + input[2] = pre_help_text + input[3] = post_help_text + input[4] = validate_params + input[5] = schema_filename + """ + } + } + + then { + assertAll( + { assert workflow.success }, + { assert workflow.exitStatus == 0 }, + { assert workflow.stdout.any { it.contains('nextflow run noorg/doesntexist') } }, + { assert workflow.stdout.any { it.contains('Input/output options') } }, + { assert workflow.stdout.any { it.contains('--outdir') } } + ) + } + } + + test("Should run help with extra text") { + + + when { + + params { + monochrome_logs = true + test_data = '' + } + workflow { + """ + help = true + workflow_command = "nextflow run noorg/doesntexist" + pre_help_text = "pre-help-text" + post_help_text = "post-help-text" + validate_params = false + schema_filename = "$moduleTestDir/nextflow_schema.json" + + input[0] = help + input[1] = workflow_command + input[2] = pre_help_text + input[3] = post_help_text + input[4] = validate_params + input[5] = schema_filename + """ + } + } + + then { + assertAll( + { assert workflow.success }, + { assert workflow.exitStatus == 0 }, + { assert workflow.stdout.any { it.contains('pre-help-text') } }, + { assert workflow.stdout.any { it.contains('nextflow run noorg/doesntexist') } }, + { assert workflow.stdout.any { it.contains('Input/output options') } }, + { assert workflow.stdout.any { it.contains('--outdir') } }, + { assert workflow.stdout.any { it.contains('post-help-text') } } + ) + } + } + + test("Should validate params") { + + when { + + params { + monochrome_logs = true + test_data = '' + outdir = 1 + } + workflow { + """ + help = false + workflow_command = null + pre_help_text = null + post_help_text = null + validate_params = true + schema_filename = "$moduleTestDir/nextflow_schema.json" + + input[0] = help + input[1] = workflow_command + input[2] = pre_help_text + input[3] = post_help_text + input[4] = validate_params + input[5] = schema_filename + """ + } + } + + then { + assertAll( + { assert workflow.failed }, + { assert workflow.stdout.any { it.contains('ERROR ~ ERROR: Validation of pipeline parameters failed!') } } + ) + } + } +} \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json new file mode 100644 index 00000000..7626c1c9 --- /dev/null +++ b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json @@ -0,0 +1,96 @@ +{ + "$schema": "http://json-schema.org/draft-07/schema", + "$id": "https://raw.githubusercontent.com/./master/nextflow_schema.json", + "title": ". pipeline parameters", + "description": "", + "type": "object", + "definitions": { + "input_output_options": { + "title": "Input/output options", + "type": "object", + "fa_icon": "fas fa-terminal", + "description": "Define where the pipeline should find input data and save output data.", + "required": ["outdir"], + "properties": { + "validate_params": { + "type": "boolean", + "description": "Validate parameters?", + "default": true, + "hidden": true + }, + "outdir": { + "type": "string", + "format": "directory-path", + "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.", + "fa_icon": "fas fa-folder-open" + }, + "test_data_base": { + "type": "string", + "default": "https://raw.githubusercontent.com/nf-core/test-datasets/modules", + "description": "Base for test data directory", + "hidden": true + }, + "test_data": { + "type": "string", + "description": "Fake test data param", + "hidden": true + } + } + }, + "generic_options": { + "title": "Generic options", + "type": "object", + "fa_icon": "fas fa-file-import", + "description": "Less common options for the pipeline, typically set in a config file.", + "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.", + "properties": { + "help": { + "type": "boolean", + "description": "Display help text.", + "fa_icon": "fas fa-question-circle", + "hidden": true + }, + "version": { + "type": "boolean", + "description": "Display version and exit.", + "fa_icon": "fas fa-question-circle", + "hidden": true + }, + "logo": { + "type": "boolean", + "default": true, + "description": "Display nf-core logo in console output.", + "fa_icon": "fas fa-image", + "hidden": true + }, + "singularity_pull_docker_container": { + "type": "boolean", + "description": "Pull Singularity container from Docker?", + "hidden": true + }, + "publish_dir_mode": { + "type": "string", + "default": "copy", + "description": "Method used to save pipeline results to output directory.", + "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.", + "fa_icon": "fas fa-copy", + "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"], + "hidden": true + }, + "monochrome_logs": { + "type": "boolean", + "description": "Use monochrome_logs", + "hidden": true + } + } + } + }, + "allOf": [ + { + "$ref": "#/definitions/input_output_options" + }, + { + "$ref": "#/definitions/generic_options" + } + ] +} diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml new file mode 100644 index 00000000..60b1cfff --- /dev/null +++ b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml @@ -0,0 +1,2 @@ +subworkflows/utils_nfvalidation_plugin: + - subworkflows/nf-core/utils_nfvalidation_plugin/** diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index a881e183..ccc14aaf 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -1,54 +1,15 @@ /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - PRINT PARAMS SUMMARY + IMPORT MODULES / SUBWORKFLOWS / FUNCTIONS ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -include { paramsSummaryLog; paramsSummaryMap } from 'plugin/nf-validation' - -def logo = NfcoreTemplate.logo(workflow, params.monochrome_logs) -def citation = '\n' + WorkflowMain.citation(workflow) + '\n' -def summary_params = paramsSummaryMap(workflow) - -// Print parameter summary log to screen -log.info logo + paramsSummaryLog(workflow) + citation - -WorkflowDifferentialabundance.initialise(params, log) - -/* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - CONFIG FILES -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -*/ - -ch_multiqc_config = Channel.fromPath("$projectDir/assets/multiqc_config.yml", checkIfExists: true) -ch_multiqc_custom_config = params.multiqc_config ? Channel.fromPath( params.multiqc_config, checkIfExists: true ) : Channel.empty() -ch_multiqc_logo = params.multiqc_logo ? Channel.fromPath( params.multiqc_logo, checkIfExists: true ) : Channel.empty() -ch_multiqc_custom_methods_description = params.multiqc_methods_description ? file(params.multiqc_methods_description, checkIfExists: true) : file("$projectDir/assets/methods_description_template.yml", checkIfExists: true) - -/* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - IMPORT LOCAL MODULES/SUBWORKFLOWS -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -*/ - -// -// SUBWORKFLOW: Consisting of a mix of local and nf-core/modules -// -include { INPUT_CHECK } from '../subworkflows/local/input_check' - -/* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - IMPORT NF-CORE MODULES/SUBWORKFLOWS -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -*/ - -// -// MODULE: Installed directly from nf-core/modules -// -include { FASTQC } from '../modules/nf-core/fastqc/main' -include { MULTIQC } from '../modules/nf-core/multiqc/main' -include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/custom/dumpsoftwareversions/main' +include { FASTQC } from '../modules/nf-core/fastqc/main' +include { MULTIQC } from '../modules/nf-core/multiqc/main' +include { paramsSummaryMap } from 'plugin/nf-validation' +include { paramsSummaryMultiqc } from '../subworkflows/nf-core/utils_nfcore_pipeline' +include { softwareVersionsToYAML } from '../subworkflows/nf-core/utils_nfcore_pipeline' +include { methodsDescriptionText } from '../subworkflows/local/utils_nfcore_differentialabundance_pipeline' /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -56,50 +17,45 @@ include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/custom/dumpsoft ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -// Info required for completion email and summary -def multiqc_report = [] - workflow DIFFERENTIALABUNDANCE { - ch_versions = Channel.empty() + take: + ch_samplesheet // channel: samplesheet read in from --input - // - // SUBWORKFLOW: Read in samplesheet, validate and stage input files - // - INPUT_CHECK ( - file(params.input) - ) - ch_versions = ch_versions.mix(INPUT_CHECK.out.versions) - // TODO: OPTIONAL, you can use nf-validation plugin to create an input channel from the samplesheet with Channel.fromSamplesheet("input") - // See the documentation https://nextflow-io.github.io/nf-validation/samplesheets/fromSamplesheet/ - // ! There is currently no tooling to help you write a sample sheet schema + main: + + ch_versions = Channel.empty() + ch_multiqc_files = Channel.empty() // // MODULE: Run FastQC // FASTQC ( - INPUT_CHECK.out.reads + ch_samplesheet ) + ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}) ch_versions = ch_versions.mix(FASTQC.out.versions.first()) - CUSTOM_DUMPSOFTWAREVERSIONS ( - ch_versions.unique().collectFile(name: 'collated_versions.yml') - ) + // + // Collate and save software versions + // + softwareVersionsToYAML(ch_versions) + .collectFile(storeDir: "${params.outdir}/pipeline_info", name: 'nf_core_pipeline_software_mqc_versions.yml', sort: true, newLine: true) + .set { ch_collated_versions } // // MODULE: MultiQC // - workflow_summary = WorkflowDifferentialabundance.paramsSummaryMultiqc(workflow, summary_params) - ch_workflow_summary = Channel.value(workflow_summary) - - methods_description = WorkflowDifferentialabundance.methodsDescriptionText(workflow, ch_multiqc_custom_methods_description, params) - ch_methods_description = Channel.value(methods_description) - - ch_multiqc_files = Channel.empty() - ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) - ch_multiqc_files = ch_multiqc_files.mix(ch_methods_description.collectFile(name: 'methods_description_mqc.yaml')) - ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect()) - ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([])) + ch_multiqc_config = Channel.fromPath("$projectDir/assets/multiqc_config.yml", checkIfExists: true) + ch_multiqc_custom_config = params.multiqc_config ? Channel.fromPath(params.multiqc_config, checkIfExists: true) : Channel.empty() + ch_multiqc_logo = params.multiqc_logo ? Channel.fromPath(params.multiqc_logo, checkIfExists: true) : Channel.empty() + summary_params = paramsSummaryMap(workflow, parameters_schema: "nextflow_schema.json") + ch_workflow_summary = Channel.value(paramsSummaryMultiqc(summary_params)) + ch_multiqc_custom_methods_description = params.multiqc_methods_description ? file(params.multiqc_methods_description, checkIfExists: true) : file("$projectDir/assets/methods_description_template.yml", checkIfExists: true) + ch_methods_description = Channel.value(methodsDescriptionText(ch_multiqc_custom_methods_description)) + ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) + ch_multiqc_files = ch_multiqc_files.mix(ch_collated_versions) + ch_multiqc_files = ch_multiqc_files.mix(ch_methods_description.collectFile(name: 'methods_description_mqc.yaml', sort: false)) MULTIQC ( ch_multiqc_files.collect(), @@ -107,31 +63,10 @@ workflow DIFFERENTIALABUNDANCE { ch_multiqc_custom_config.toList(), ch_multiqc_logo.toList() ) - multiqc_report = MULTIQC.out.report.toList() -} - -/* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - COMPLETION EMAIL AND SUMMARY -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -*/ - -workflow.onComplete { - if (params.email || params.email_on_fail) { - NfcoreTemplate.email(workflow, params, summary_params, projectDir, log, multiqc_report) - } - NfcoreTemplate.dump_parameters(workflow, params) - NfcoreTemplate.summary(workflow, params, log) - if (params.hook_url) { - NfcoreTemplate.IM_notification(workflow, params, summary_params, projectDir, log) - } -} -workflow.onError { - if (workflow.errorReport.contains("Process requirement exceeds available memory")) { - println("🛑 Default resources exceed availability 🛑 ") - println("💡 See here on how to configure pipeline: https://nf-co.re/docs/usage/configuration#tuning-workflow-resources 💡") - } + emit: + multiqc_report = MULTIQC.out.report.toList() // channel: /path/to/multiqc_report.html + versions = ch_versions // channel: [ path(versions.yml) ] } /* From 32a270b04b055c4e85824bb633c11afa9b54773b Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Wed, 21 Feb 2024 09:36:32 +0000 Subject: [PATCH 097/168] Publish gsea reports --- conf/modules.config | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/conf/modules.config b/conf/modules.config index c8ded60e..dfc6ae87 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -305,6 +305,11 @@ process { path: { "${params.outdir}/plots/gsea/${meta.id}/${gene_sets.baseName}" }, mode: params.publish_dir_mode, pattern: '*.png' + ], + [ + path: { "${params.outdir}/html/gsea/${meta.id}/${gene_sets.baseName}" }, + mode: params.publish_dir_mode, + pattern: '*.{html,zip}' ] ] ext.args = { [ From 60a0173fa4373a5bde79bc8f5770bf9bf4bf65e5 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Wed, 21 Feb 2024 09:38:59 +0000 Subject: [PATCH 098/168] Update CHANGELOG.md --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 49736ab7..310b7fd2 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -14,6 +14,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#240](https://github.com/nf-core/differentialabundance/pull/240) - Publish GSEA reports ([@pinin4fjords](https://github.com/pinin4fjords), review by ) - [[#231](https://github.com/nf-core/differentialabundance/pull/231) - Update GSEA module to fix butterfly plot bug ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#226](https://github.com/nf-core/differentialabundance/pull/226) - Fix DESEQ2_NORM in modules.config ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#221](https://github.com/nf-core/differentialabundance/pull/221) - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) From 99cdf5cde46e0f09c30102337084ed793a6404c8 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 21 Feb 2024 15:04:27 +0100 Subject: [PATCH 099/168] Reenabled default rounding --- nextflow.config | 2 +- nextflow_schema.json | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/nextflow.config b/nextflow.config index ec4e0e3b..214473cb 100644 --- a/nextflow.config +++ b/nextflow.config @@ -31,7 +31,7 @@ params { report_contributors = null report_description = null report_scree = true - report_round_digits = -1 + report_round_digits = 4 // Sample sheet options observations_type = 'sample' diff --git a/nextflow_schema.json b/nextflow_schema.json index a60d556d..9f7b3039 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1062,7 +1062,7 @@ }, "report_round_digits": { "type": "integer", - "default": -1, + "default": 4, "description": "To how many digits should numeric output in different modules be rounded? If -1, will not round.", "help_text": "This affects output from the following modules (both their tabular output and their result sections in the report): proteus, gprofiler2." } From 2e147becfc055316ee4b2cfe019997e23fb302bc Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 21 Feb 2024 16:16:07 +0100 Subject: [PATCH 100/168] trying to fix some issues after conflict solving --- main.nf | 2 -- workflows/differentialabundance.nf | 18 ------------------ 2 files changed, 20 deletions(-) diff --git a/main.nf b/main.nf index b6059e9a..95d6f396 100644 --- a/main.nf +++ b/main.nf @@ -29,8 +29,6 @@ include { getGenomeAttribute } from './subworkflows/local/utils_nfcore_diff ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -params.gtf = WorkflowMain.getGenomeAttribute(params, 'gtf') - /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ NAMED WORKFLOWS FOR PIPELINE diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 53d83068..0b38f5a9 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -4,17 +4,6 @@ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -include { paramsSummaryLog; paramsSummaryMap } from 'plugin/nf-validation' - -def logo = NfcoreTemplate.logo(workflow, params.monochrome_logs) -def citation = '\n' + WorkflowMain.citation(workflow) + '\n' -def summary_params = paramsSummaryMap(workflow) - -// Print parameter summary log to screen -log.info logo + paramsSummaryLog(workflow) + citation - -WorkflowDifferentialabundance.initialise(params, log) - def checkPathParamList = [ params.input ] for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } } @@ -122,7 +111,6 @@ include { FILTER_DIFFTABLE } from '../modules/local/filter_difftable' // include { GUNZIP as GUNZIP_GTF } from '../modules/nf-core/gunzip/main' include { UNTAR } from '../modules/nf-core/untar/main.nf' -include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/custom/dumpsoftwareversions/main' include { SHINYNGS_APP } from '../modules/nf-core/shinyngs/app/main' include { SHINYNGS_STATICEXPLORATORY as PLOT_EXPLORATORY } from '../modules/nf-core/shinyngs/staticexploratory/main' include { SHINYNGS_STATICDIFFERENTIAL as PLOT_DIFFERENTIAL } from '../modules/nf-core/shinyngs/staticdifferential/main' @@ -567,7 +555,6 @@ workflow DIFFERENTIALABUNDANCE { .map{ it.tail() } .map{it.flatten()} .combine(VALIDATOR.out.contrasts.map{it.tail()}) - .combine(CUSTOM_DUMPSOFTWAREVERSIONS.out.yml) .combine(ch_logo_file) .combine(ch_css_file) .combine(ch_citations_file) @@ -665,11 +652,6 @@ workflow DIFFERENTIALABUNDANCE { } - emit: - multiqc_report = MULTIQC.out.report.toList() // channel: /path/to/multiqc_report.html - versions = ch_versions // channel: [ path(versions.yml) ] -} - /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ THE END From 19e757467d3f88396bdf9eb46c517311e5c42e1b Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Thu, 22 Feb 2024 09:26:01 +0100 Subject: [PATCH 101/168] Update nextflow_schema.json Co-authored-by: Nicolas Vannieuwkerke <101190534+nvnieuwk@users.noreply.github.com> --- nextflow_schema.json | 1 - 1 file changed, 1 deletion(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 5ac8b820..9f7b3039 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -31,7 +31,6 @@ "type": "string", "format": "file-path", "exists": true, - "schema": "assets/schema_input.json", "mimetype": "text/csv", "pattern": "^\\S+\\.(csv|tsv|txt)$", "schema": "assets/schema_input.json", From 00d42e08785645fe5c431ff2c174a55257cd2880 Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 22 Feb 2024 10:23:24 +0100 Subject: [PATCH 102/168] Bugfixing --- main.nf | 37 ++++-------------------------- workflows/differentialabundance.nf | 6 ++++- 2 files changed, 9 insertions(+), 34 deletions(-) diff --git a/main.nf b/main.nf index 95d6f396..eb85e568 100644 --- a/main.nf +++ b/main.nf @@ -29,6 +29,8 @@ include { getGenomeAttribute } from './subworkflows/local/utils_nfcore_diff ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ +params.gtf = getGenomeAttribute('gtf') + /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ NAMED WORKFLOWS FOR PIPELINE @@ -39,22 +41,7 @@ include { getGenomeAttribute } from './subworkflows/local/utils_nfcore_diff // WORKFLOW: Run main analysis pipeline depending on type of input // workflow NFCORE_DIFFERENTIALABUNDANCE { - - take: - samplesheet // channel: samplesheet read in from --input - - main: - - // - // WORKFLOW: Run pipeline - // - DIFFERENTIALABUNDANCE ( - samplesheet - ) - - emit: - multiqc_report = DIFFERENTIALABUNDANCE.out.multiqc_report // channel: /path/to/multiqc_report.html - + DIFFERENTIALABUNDANCE () } /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -64,8 +51,6 @@ workflow NFCORE_DIFFERENTIALABUNDANCE { workflow { - main: - // // SUBWORKFLOW: Run initialisation tasks // @@ -82,22 +67,8 @@ workflow { // // WORKFLOW: Run main workflow // - NFCORE_DIFFERENTIALABUNDANCE ( - PIPELINE_INITIALISATION.out.samplesheet - ) + NFCORE_DIFFERENTIALABUNDANCE () - // - // SUBWORKFLOW: Run completion tasks - // - PIPELINE_COMPLETION ( - params.email, - params.email_on_fail, - params.plaintext_email, - params.outdir, - params.monochrome_logs, - params.hook_url, - NFCORE_DIFFERENTIALABUNDANCE.out.multiqc_report - ) } /* diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 0b38f5a9..3eaf2a98 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -130,6 +130,7 @@ include { AFFY_JUSTRMA as AFFY_JUSTRMA_NORM } from '../modules/n include { PROTEUS_READPROTEINGROUPS as PROTEUS } from '../modules/nf-core/proteus/readproteingroups/main' include { GEOQUERY_GETGEO } from '../modules/nf-core/geoquery/getgeo/main' include { ZIP as MAKE_REPORT_BUNDLE } from '../modules/nf-core/zip/main' +include { softwareVersionsToYAML } from '../subworkflows/nf-core/utils_nfcore_pipeline' /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -228,6 +229,7 @@ workflow DIFFERENTIALABUNDANCE { file_gtf_in = file(params.gtf) file_gtf = [ [ "id": file_gtf_in.simpleName ], file_gtf_in ] + print("waaaaa") if ( params.gtf.endsWith('.gz') ){ GUNZIP_GTF(file_gtf) @@ -539,9 +541,10 @@ workflow DIFFERENTIALABUNDANCE { // Collate and save software versions // softwareVersionsToYAML(ch_versions) - .collectFile(storeDir: "${params.outdir}/pipeline_info", name: 'nf_core_pipeline_software_mqc_versions.yml', sort: true, newLine: true) .set { ch_collated_versions } + ch_collated_versions.dump(tag:'svty') + // Generate a list of files that will be used by the markdown report ch_report_file = Channel.from(report_file) @@ -555,6 +558,7 @@ workflow DIFFERENTIALABUNDANCE { .map{ it.tail() } .map{it.flatten()} .combine(VALIDATOR.out.contrasts.map{it.tail()}) + .combine(ch_collated_versions) .combine(ch_logo_file) .combine(ch_css_file) .combine(ch_citations_file) From 2e2bc742a4d8a52e0f7f79027a7307052130b839 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 23 Feb 2024 15:01:21 +0100 Subject: [PATCH 103/168] Bugfixing; removed samplesheet definition from pipelineInitialization --- .../main.nf | 23 ------------------- workflows/differentialabundance.nf | 12 ++++++---- 2 files changed, 8 insertions(+), 27 deletions(-) diff --git a/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf b/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf index dc90ad90..78ce57fa 100644 --- a/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf @@ -77,31 +77,8 @@ workflow PIPELINE_INITIALISATION { // validateInputParameters() - // - // Create channel from input file provided through params.input - // - Channel - .fromSamplesheet("input") - .map { - meta, fastq_1, fastq_2 -> - if (!fastq_2) { - return [ meta.id, meta + [ single_end:true ], [ fastq_1 ] ] - } else { - return [ meta.id, meta + [ single_end:false ], [ fastq_1, fastq_2 ] ] - } - } - .groupTuple() - .map { - validateInputSamplesheet(it) - } - .map { - meta, fastqs -> - return [ meta, fastqs.flatten() ] - } - .set { ch_samplesheet } emit: - samplesheet = ch_samplesheet versions = ch_versions } diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 3eaf2a98..105e10cf 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -540,10 +540,11 @@ workflow DIFFERENTIALABUNDANCE { // // Collate and save software versions // - softwareVersionsToYAML(ch_versions) - .set { ch_collated_versions } + ch_collated_versions = softwareVersionsToYAML(ch_versions) + .collectFile(name: 'collated_versions.yml') - ch_collated_versions.dump(tag:'svty') + ch_versions.dump(tag:'versionssssss') + ch_collated_versions.dump(tag:'svtyyyyyy') // Generate a list of files that will be used by the markdown report @@ -632,10 +633,13 @@ workflow DIFFERENTIALABUNDANCE { } params_pattern = ~/(${params_pattern}).*/ + print params.findAll{ k,v -> k.matches(params_pattern) } + print report_file_names + print params_pattern ch_report_params = ch_report_input_files .map{ params.findAll{ k,v -> k.matches(params_pattern) } + - [report_file_names, it.collect{ f -> f.name}].transpose().collectEntries() + [report_file_names, it.collect{ f -> print f; print f.name; print f.getClass(); print "iiii"; f.name}].transpose().collectEntries() } // Render the final report From 337b7418d97d445285fd2b90724aa3b9ca62a38f Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 23 Feb 2024 15:47:54 +0100 Subject: [PATCH 104/168] Removed remaining custom_dumpsoftware references; removed prints and dumps; fixed versions.yml bug --- conf/base.config | 3 --- conf/modules.config | 8 -------- modules.json | 5 ----- workflows/differentialabundance.nf | 12 +++--------- 4 files changed, 3 insertions(+), 25 deletions(-) diff --git a/conf/base.config b/conf/base.config index 59ef2e92..99e804ea 100644 --- a/conf/base.config +++ b/conf/base.config @@ -57,7 +57,4 @@ process { errorStrategy = 'retry' maxRetries = 2 } - withName:CUSTOM_DUMPSOFTWAREVERSIONS { - cache = false - } } diff --git a/conf/modules.config b/conf/modules.config index c8ded60e..7754def1 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -434,14 +434,6 @@ process { ].join(' ').trim() } } - withName: CUSTOM_DUMPSOFTWAREVERSIONS { - publishDir = [ - path: { "${params.outdir}/pipeline_info" }, - mode: params.publish_dir_mode, - pattern: '*_versions.yml' - ] - } - withName: RMARKDOWNNOTEBOOK { conda = "bioconda::r-shinyngs=1.8.4" container = { "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.4--r43hdfd78af_0' : 'biocontainers/r-shinyngs:1.8.4--r43hdfd78af_0' }" } diff --git a/modules.json b/modules.json index d3aa5bb3..3db949bc 100644 --- a/modules.json +++ b/modules.json @@ -15,11 +15,6 @@ "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", "installed_by": ["modules"] }, - "custom/dumpsoftwareversions": { - "branch": "master", - "git_sha": "8ec825f465b9c17f9d83000022995b4f7de6fe93", - "installed_by": ["modules"] - }, "custom/matrixfilter": { "branch": "master", "git_sha": "f4ae1d942bd50c5c0b9bd2de1393ce38315ba57c", diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 105e10cf..020c0747 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -229,7 +229,6 @@ workflow DIFFERENTIALABUNDANCE { file_gtf_in = file(params.gtf) file_gtf = [ [ "id": file_gtf_in.simpleName ], file_gtf_in ] - print("waaaaa") if ( params.gtf.endsWith('.gz') ){ GUNZIP_GTF(file_gtf) @@ -540,11 +539,9 @@ workflow DIFFERENTIALABUNDANCE { // // Collate and save software versions // - ch_collated_versions = softwareVersionsToYAML(ch_versions) - .collectFile(name: 'collated_versions.yml') - ch_versions.dump(tag:'versionssssss') - ch_collated_versions.dump(tag:'svtyyyyyy') + ch_collated_versions = softwareVersionsToYAML(ch_versions) + .collectFile(storeDir: "${params.outdir}/pipeline_info", name: 'collated_versions.yml', sort: true, newLine: true) // Generate a list of files that will be used by the markdown report @@ -633,13 +630,10 @@ workflow DIFFERENTIALABUNDANCE { } params_pattern = ~/(${params_pattern}).*/ - print params.findAll{ k,v -> k.matches(params_pattern) } - print report_file_names - print params_pattern ch_report_params = ch_report_input_files .map{ params.findAll{ k,v -> k.matches(params_pattern) } + - [report_file_names, it.collect{ f -> print f; print f.name; print f.getClass(); print "iiii"; f.name}].transpose().collectEntries() + [report_file_names, it.collect{ f -> f.name}].transpose().collectEntries() } // Render the final report From d8ade86ce4bd256ffb439c08794c03f3bc9b1fc4 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 27 Feb 2024 13:08:41 +0100 Subject: [PATCH 105/168] Belatedly added NA options for matrixfilter to the pipeline --- CHANGELOG.md | 10 ++++++---- conf/modules.config | 4 +++- nextflow.config | 10 ++++++---- nextflow_schema.json | 11 +++++++++++ 4 files changed, 26 insertions(+), 9 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index c8663f7c..9003f670 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#242](https://github.com/nf-core/differentialabundance/pull/242)] - Add pipeline params for matrixfilter NA options ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#241](https://github.com/nf-core/differentialabundance/pull/241)] - Template update for nf-core/tools v2.13 ([@WackerO](https://github.com/WackerO), review by [@nvnieuwk](https://github.com/nvnieuwk)) - [[#228](https://github.com/nf-core/differentialabundance/pull/228)] - Template update for nf-core/tools v2.12 ([@nf-core-bot](https://github.com/nf-core-bot), review by [@pinin4fjords](https://github.com/pinin4fjords), [@WackerO](https://github.com/WackerO)) - [[#222](https://github.com/nf-core/differentialabundance/pull/222)] - Add rounding to all numeric report tables ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#219](https://github.com/nf-core/differentialabundance/pull/219)] - Template update for nf-core/tools v2.11.1 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) @@ -14,9 +16,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [[#231](https://github.com/nf-core/differentialabundance/pull/231) - Update GSEA module to fix butterfly plot bug ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) -- [[#226](https://github.com/nf-core/differentialabundance/pull/226) - Fix DESEQ2_NORM in modules.config ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) -- [[#221](https://github.com/nf-core/differentialabundance/pull/221) - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) +- [[#231](https://github.com/nf-core/differentialabundance/pull/231)] - Update GSEA module to fix butterfly plot bug ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#226](https://github.com/nf-core/differentialabundance/pull/226)] - Fix DESEQ2_NORM in modules.config ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#221](https://github.com/nf-core/differentialabundance/pull/221)] - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) - [[#223](https://github.com/nf-core/differentialabundance/pull/223)] - tabulartogseacls fixes ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) - [[#213](https://github.com/nf-core/differentialabundance/pull/213)] - Fix volcano plot legend ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#210](https://github.com/nf-core/differentialabundance/pull/210)] - Include Affy timeout fix ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) @@ -139,7 +141,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## v1.0.1 - 2023-01-25 -- [[#49](https://github.com/nf-core/differentialabundance/pull/49) - Add citation fixes, missing logos, output detail, and trigger Zenodo ([@pinin4fjords](https://github.com/pinin4fjords), review by [@apeltzer](https://github.com/apeltzer), [@jfy133](https://github.com/jfy133)) +- [[#49](https://github.com/nf-core/differentialabundance/pull/49)] - Add citation fixes, missing logos, output detail, and trigger Zenodo ([@pinin4fjords](https://github.com/pinin4fjords), review by [@apeltzer](https://github.com/apeltzer), [@jfy133](https://github.com/jfy133)) ## v1.0.0 - 2023-01-23 diff --git a/conf/modules.config b/conf/modules.config index 7754def1..21b46cdb 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -463,8 +463,10 @@ process { "--sample_id_col \"${params.observations_id_col}\"", "--minimum_samples ${params.filtering_min_samples}", "--minimum_abundance ${params.filtering_min_abundance}", + "--minimum_proportion_not_na ${params.filtering_min_proportion_not_na}", (params.filtering_min_proportion ? "--minimum_proportion ${params.filtering_min_proportion}" : ''), - (params.filtering_grouping_var ? "--grouping_variable \"${params.filtering_grouping_var}\"" : '') + (params.filtering_grouping_var ? "--grouping_variable \"${params.filtering_grouping_var}\"" : ''), + (params.filtering_min_samples_not_na ? "--minimum_samples_not_na \"${params.filtering_min_samples_not_na}\"" : '') ].join(' ').trim() } diff --git a/nextflow.config b/nextflow.config index 214473cb..055bfa4e 100644 --- a/nextflow.config +++ b/nextflow.config @@ -70,10 +70,12 @@ params { proteus_palette_name = 'Set1' // Filtering options - filtering_min_samples = 1.0 - filtering_min_abundance = 1.0 - filtering_min_proportion = null - filtering_grouping_var = null + filtering_min_samples = 1.0 + filtering_min_abundance = 1.0 + filtering_min_proportion = null + filtering_grouping_var = null + filtering_min_proportion_not_na = 0.5 + filtering_min_samples_not_na = null // Exploratory options exploratory_main_variable = 'auto_pca' diff --git a/nextflow_schema.json b/nextflow_schema.json index 9f7b3039..acb712b5 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -329,6 +329,17 @@ "help_text": "The variable can be used to define groups and derive a minimum group size upon which to base minimum observation numbers. The rationale for this is to allow retention of features that might be present in only one group. Note that this is consciously NOT filtering with an explicit awareness of groups (\"feature must be present in all samples of group A\"), since this is known to create biases towards discovery of differential features.", "description": "An optional grouping variable to be used to calculate a min_samples value", "fa_icon": "fas fa-users" + }, + "filtering_min_proportion_not_na": { + "type": "number", + "default": 0.5, + "description": "A minimum proportion of observations, given as a number between 0 and 1, that must have a value (not NA) to retain the row/ feature (e.g. gene).", + "fa_icon": "fas fa-compress-alt" + }, + "filtering_min_samples_not_na": { + "type": "number", + "description": "Minimum observations that must have a value (not NA) to retain the row/ feature (e.g. gene). Overrides filtering_min_proportion_not_na.", + "fa_icon": "fas fa-percent" } }, "fa_icon": "fas fa-filter", From 38431152c1d2ef9d644d945d48113de3c30218c4 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 27 Feb 2024 13:11:06 +0100 Subject: [PATCH 106/168] Corrected PR number --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 9003f670..31166fdf 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,7 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` -- [[#242](https://github.com/nf-core/differentialabundance/pull/242)] - Add pipeline params for matrixfilter NA options ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#244](https://github.com/nf-core/differentialabundance/pull/244)] - Add pipeline params for matrixfilter NA options ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#241](https://github.com/nf-core/differentialabundance/pull/241)] - Template update for nf-core/tools v2.13 ([@WackerO](https://github.com/WackerO), review by [@nvnieuwk](https://github.com/nvnieuwk)) - [[#228](https://github.com/nf-core/differentialabundance/pull/228)] - Template update for nf-core/tools v2.12 ([@nf-core-bot](https://github.com/nf-core-bot), review by [@pinin4fjords](https://github.com/pinin4fjords), [@WackerO](https://github.com/WackerO)) - [[#222](https://github.com/nf-core/differentialabundance/pull/222)] - Add rounding to all numeric report tables ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) From 9af81edd160494f6c7b5988862f3122d1963b634 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 27 Feb 2024 16:06:33 +0100 Subject: [PATCH 107/168] made proportion_not_na conditional --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 21b46cdb..0350cc0d 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -463,9 +463,9 @@ process { "--sample_id_col \"${params.observations_id_col}\"", "--minimum_samples ${params.filtering_min_samples}", "--minimum_abundance ${params.filtering_min_abundance}", - "--minimum_proportion_not_na ${params.filtering_min_proportion_not_na}", (params.filtering_min_proportion ? "--minimum_proportion ${params.filtering_min_proportion}" : ''), (params.filtering_grouping_var ? "--grouping_variable \"${params.filtering_grouping_var}\"" : ''), + (params.filtering_min_proportion_not_na ? "--minimum_proportion_not_na \"${params.filtering_min_proportion_not_na}\"" : ''), (params.filtering_min_samples_not_na ? "--minimum_samples_not_na \"${params.filtering_min_samples_not_na}\"" : '') ].join(' ').trim() } From e99fdc22d1cda8bb49063274e4a3fdaa0e39b475 Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Thu, 29 Feb 2024 16:09:40 +0000 Subject: [PATCH 108/168] Template update for nf-core/tools version 2.13.1 --- .devcontainer/devcontainer.json | 10 +---- .github/CONTRIBUTING.md | 14 ++++--- .github/PULL_REQUEST_TEMPLATE.md | 2 +- .github/workflows/awsfulltest.yml | 4 +- .github/workflows/awstest.yml | 4 +- .github/workflows/ci.yml | 2 +- .github/workflows/download_pipeline.yml | 2 +- .github/workflows/linting.yml | 2 +- .github/workflows/release-announcements.yml | 2 +- .gitpod.yml | 6 +-- README.md | 3 +- modules.json | 8 ++-- modules/nf-core/multiqc/environment.yml | 2 +- modules/nf-core/multiqc/main.nf | 4 +- .../nf-core/multiqc/tests/main.nf.test.snap | 12 +++--- .../main.nf | 10 +++-- .../tests/main.function.nf.test | 2 +- .../tests/main.function.nf.test.snap | 12 +++++- .../tests/main.workflow.nf.test | 20 ++------- .../tests/nextflow.config | 2 +- .../tests/main.function.nf.test.snap | 42 +++++++++++++++---- .../tests/main.workflow.nf.test.snap | 6 ++- .../tests/main.nf.test | 2 +- 23 files changed, 99 insertions(+), 74 deletions(-) diff --git a/.devcontainer/devcontainer.json b/.devcontainer/devcontainer.json index 4ecfbfe3..b290e090 100644 --- a/.devcontainer/devcontainer.json +++ b/.devcontainer/devcontainer.json @@ -10,15 +10,7 @@ "vscode": { // Set *default* container specific settings.json values on container create. "settings": { - "python.defaultInterpreterPath": "/opt/conda/bin/python", - "python.linting.enabled": true, - "python.linting.pylintEnabled": true, - "python.formatting.autopep8Path": "/opt/conda/bin/autopep8", - "python.formatting.yapfPath": "/opt/conda/bin/yapf", - "python.linting.flake8Path": "/opt/conda/bin/flake8", - "python.linting.pycodestylePath": "/opt/conda/bin/pycodestyle", - "python.linting.pydocstylePath": "/opt/conda/bin/pydocstyle", - "python.linting.pylintPath": "/opt/conda/bin/pylint" + "python.defaultInterpreterPath": "/opt/conda/bin/python" }, // Add the IDs of extensions you want installed when the container is created. diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index 02f882b9..f5305291 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -9,9 +9,8 @@ Please use the pre-filled template to save time. However, don't be put off by this template - other more general issues and suggestions are welcome! Contributions to the code are even more welcome ;) -:::info -If you need help using or modifying nf-core/differentialabundance then the best place to ask is on the nf-core Slack [#differentialabundance](https://nfcore.slack.com/channels/differentialabundance) channel ([join our Slack here](https://nf-co.re/join/slack)). -::: +> [!NOTE] +> If you need help using or modifying nf-core/differentialabundance then the best place to ask is on the nf-core Slack [#differentialabundance](https://nfcore.slack.com/channels/differentialabundance) channel ([join our Slack here](https://nf-co.re/join/slack)). ## Contribution workflow @@ -27,8 +26,11 @@ If you're not used to this workflow with git, you can start with some [docs from ## Tests -You can optionally test your changes by running the pipeline locally. Then it is recommended to use the `debug` profile to -receive warnings about process selectors and other debug info. Example: `nextflow run . -profile debug,test,docker --outdir `. +You have the option to test your changes locally by running the pipeline. For receiving warnings about process selectors and other `debug` information, it is recommended to use the debug profile. Execute all the tests with the following command: + +```bash +nf-test test --profile debug,test,docker --verbose +``` When you create a pull request with changes, [GitHub Actions](https://github.com/features/actions) will run automatic tests. Typically, pull-requests are only fully reviewed when these tests are passing, though of course we can help out before then. @@ -90,7 +92,7 @@ Once there, use `nf-core schema build` to add to `nextflow_schema.json`. Sensible defaults for process resource requirements (CPUs / memory / time) for a process should be defined in `conf/base.config`. These should generally be specified generic with `withLabel:` selectors so they can be shared across multiple processes/steps of the pipeline. A nf-core standard set of labels that should be followed where possible can be seen in the [nf-core pipeline template](https://github.com/nf-core/tools/blob/master/nf_core/pipeline-template/conf/base.config), which has the default process as a single core-process, and then different levels of multi-core configurations for increasingly large memory requirements defined with standardised labels. -The process resources can be passed on to the tool dynamically within the process with the `${task.cpu}` and `${task.memory}` variables in the `script:` block. +The process resources can be passed on to the tool dynamically within the process with the `${task.cpus}` and `${task.memory}` variables in the `script:` block. ### Naming schemes diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 89778df2..70d62a73 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -18,7 +18,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/diff - [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/differentialabundance/tree/master/.github/CONTRIBUTING.md) - [ ] If necessary, also make a PR on the nf-core/differentialabundance _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. - [ ] Make sure your code lints (`nf-core lint`). -- [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir `). +- [ ] Ensure the test suite passes (`nf-test test main.nf.test -profile test,docker`). - [ ] Check for unexpected warnings in debug mode (`nextflow run . -profile debug,test,docker --outdir `). - [ ] Usage Documentation in `docs/usage.md` is updated. - [ ] Output Documentation in `docs/output.md` is updated. diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index ced07de3..aa6416ec 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -14,7 +14,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Launch workflow via tower - uses: seqeralabs/action-tower-launch@922e5c8d5ac4e918107ec311d2ebbd65e5982b3d # v2 + uses: seqeralabs/action-tower-launch@v2 # TODO nf-core: You can customise AWS full pipeline tests as required # Add full size test data (but still relatively small datasets for few samples) # on the `test_full.config` test runs with only one set of parameters @@ -31,7 +31,7 @@ jobs: } profiles: test_full - - uses: actions/upload-artifact@5d5d22a31266ced268874388b861e4b58bb5c2f3 # v4 + - uses: actions/upload-artifact@v4 with: name: Tower debug log file path: | diff --git a/.github/workflows/awstest.yml b/.github/workflows/awstest.yml index 1dcd9946..ed9b65e7 100644 --- a/.github/workflows/awstest.yml +++ b/.github/workflows/awstest.yml @@ -12,7 +12,7 @@ jobs: steps: # Launch workflow using Tower CLI tool action - name: Launch workflow via tower - uses: seqeralabs/action-tower-launch@922e5c8d5ac4e918107ec311d2ebbd65e5982b3d # v2 + uses: seqeralabs/action-tower-launch@v2 with: workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }} access_token: ${{ secrets.TOWER_ACCESS_TOKEN }} @@ -25,7 +25,7 @@ jobs: } profiles: test - - uses: actions/upload-artifact@5d5d22a31266ced268874388b861e4b58bb5c2f3 # v4 + - uses: actions/upload-artifact@v4 with: name: Tower debug log file path: | diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 3f2ad2f4..ec48ce72 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -31,7 +31,7 @@ jobs: uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4 - name: Install Nextflow - uses: nf-core/setup-nextflow@b9f764e8ba5c76b712ace14ecbfcef0e40ae2dd8 # v1 + uses: nf-core/setup-nextflow@v1 with: version: "${{ matrix.NXF_VER }}" diff --git a/.github/workflows/download_pipeline.yml b/.github/workflows/download_pipeline.yml index f823210d..08622fd5 100644 --- a/.github/workflows/download_pipeline.yml +++ b/.github/workflows/download_pipeline.yml @@ -28,7 +28,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Install Nextflow - uses: nf-core/setup-nextflow@b9f764e8ba5c76b712ace14ecbfcef0e40ae2dd8 # v1 + uses: nf-core/setup-nextflow@v1 - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5 with: diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index 748b4311..073e1876 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -35,7 +35,7 @@ jobs: uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4 - name: Install Nextflow - uses: nf-core/setup-nextflow@b9f764e8ba5c76b712ace14ecbfcef0e40ae2dd8 # v1 + uses: nf-core/setup-nextflow@v1 - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5 with: diff --git a/.github/workflows/release-announcements.yml b/.github/workflows/release-announcements.yml index c3674af2..d468aeaa 100644 --- a/.github/workflows/release-announcements.yml +++ b/.github/workflows/release-announcements.yml @@ -12,7 +12,7 @@ jobs: - name: get topics and convert to hashtags id: get_topics run: | - curl -s https://nf-co.re/pipelines.json | jq -r '.remote_workflows[] | select(.name == "${{ github.repository }}") | .topics[]' | awk '{print "#"$0}' | tr '\n' ' ' > $GITHUB_OUTPUT + curl -s https://nf-co.re/pipelines.json | jq -r '.remote_workflows[] | select(.full_name == "${{ github.repository }}") | .topics[]' | awk '{print "#"$0}' | tr '\n' ' ' >> $GITHUB_OUTPUT - uses: rzr/fediverse-action@master with: diff --git a/.gitpod.yml b/.gitpod.yml index 363d5b1d..105a1821 100644 --- a/.gitpod.yml +++ b/.gitpod.yml @@ -10,13 +10,11 @@ tasks: vscode: extensions: # based on nf-core.nf-core-extensionpack - - codezombiech.gitignore # Language support for .gitignore files - # - cssho.vscode-svgviewer # SVG viewer - esbenp.prettier-vscode # Markdown/CommonMark linting and style checking for Visual Studio Code - - eamodio.gitlens # Quickly glimpse into whom, why, and when a line or code block was changed - EditorConfig.EditorConfig # override user/workspace settings with settings found in .editorconfig files - Gruntfuggly.todo-tree # Display TODO and FIXME in a tree view in the activity bar - mechatroner.rainbow-csv # Highlight columns in csv files in different colors - # - nextflow.nextflow # Nextflow syntax highlighting + # - nextflow.nextflow # Nextflow syntax highlighting - oderwat.indent-rainbow # Highlight indentation level - streetsidesoftware.code-spell-checker # Spelling checker for source code + - charliermarsh.ruff # Code linter Ruff diff --git a/README.md b/README.md index b50745fe..71f2cd2a 100644 --- a/README.md +++ b/README.md @@ -7,12 +7,13 @@ [![GitHub Actions CI Status](https://github.com/nf-core/differentialabundance/actions/workflows/ci.yml/badge.svg)](https://github.com/nf-core/differentialabundance/actions/workflows/ci.yml) [![GitHub Actions Linting Status](https://github.com/nf-core/differentialabundance/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/differentialabundance/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/differentialabundance/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX) +[![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com) [![Nextflow](https://img.shields.io/badge/nextflow%20DSL2-%E2%89%A523.04.0-23aa62.svg)](https://www.nextflow.io/) [![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/) [![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/) [![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/) -[![Launch on Nextflow Tower](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Nextflow%20Tower-%234256e7)](https://tower.nf/launch?pipeline=https://github.com/nf-core/differentialabundance) +[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://tower.nf/launch?pipeline=https://github.com/nf-core/differentialabundance) [![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23differentialabundance-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/differentialabundance)[![Follow on Twitter](http://img.shields.io/badge/twitter-%40nf__core-1DA1F2?labelColor=000000&logo=twitter)](https://twitter.com/nf_core)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core) diff --git a/modules.json b/modules.json index 7a4543e6..de94d3f2 100644 --- a/modules.json +++ b/modules.json @@ -12,7 +12,7 @@ }, "multiqc": { "branch": "master", - "git_sha": "ccacf6f5de6df3bc6d73b665c1fd2933d8bbc290", + "git_sha": "b7ebe95761cd389603f9cc0e0dc384c0f663815a", "installed_by": ["modules"] } } @@ -21,17 +21,17 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "cd08c91373cd00a73255081340e4914485846ba1", + "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "262b17ed2aad591039f914951659177e6c39a8d8", + "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", "installed_by": ["subworkflows"] }, "utils_nfvalidation_plugin": { "branch": "master", - "git_sha": "cd08c91373cd00a73255081340e4914485846ba1", + "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", "installed_by": ["subworkflows"] } } diff --git a/modules/nf-core/multiqc/environment.yml b/modules/nf-core/multiqc/environment.yml index 2212096a..ca39fb67 100644 --- a/modules/nf-core/multiqc/environment.yml +++ b/modules/nf-core/multiqc/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::multiqc=1.20 + - bioconda::multiqc=1.21 diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 354f4430..47ac352f 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -3,8 +3,8 @@ process MULTIQC { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.20--pyhdfd78af_0' : - 'biocontainers/multiqc:1.20--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.21--pyhdfd78af_0' : + 'biocontainers/multiqc:1.21--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" diff --git a/modules/nf-core/multiqc/tests/main.nf.test.snap b/modules/nf-core/multiqc/tests/main.nf.test.snap index c204b488..bfebd802 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test.snap +++ b/modules/nf-core/multiqc/tests/main.nf.test.snap @@ -2,14 +2,14 @@ "multiqc_versions_single": { "content": [ [ - "versions.yml:md5,d320d4c37e349c5588e07e7a31cd4186" + "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" ] ], "meta": { "nf-test": "0.8.4", "nextflow": "23.10.1" }, - "timestamp": "2024-02-14T09:28:51.744211298" + "timestamp": "2024-02-29T08:48:55.657331" }, "multiqc_stub": { "content": [ @@ -17,25 +17,25 @@ "multiqc_report.html", "multiqc_data", "multiqc_plots", - "versions.yml:md5,d320d4c37e349c5588e07e7a31cd4186" + "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" ] ], "meta": { "nf-test": "0.8.4", "nextflow": "23.10.1" }, - "timestamp": "2024-02-14T09:29:28.847433492" + "timestamp": "2024-02-29T08:49:49.071937" }, "multiqc_versions_config": { "content": [ [ - "versions.yml:md5,d320d4c37e349c5588e07e7a31cd4186" + "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" ] ], "meta": { "nf-test": "0.8.4", "nextflow": "23.10.1" }, - "timestamp": "2024-02-14T09:29:13.223621555" + "timestamp": "2024-02-29T08:49:25.457567" } } \ No newline at end of file diff --git a/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf b/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf index dc90ad90..10379724 100644 --- a/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_differentialabundance_pipeline/main.nf @@ -1,5 +1,5 @@ // -// Subworkflow with functionality specific to the nf-core/pipeline pipeline +// Subworkflow with functionality specific to the nf-core/differentialabundance pipeline // /* @@ -152,7 +152,9 @@ workflow PIPELINE_COMPLETION { // def validateInputParameters() { genomeExistsError() -}// +} + +// // Validate channels from input samplesheet // def validateInputSamplesheet(input) { @@ -190,7 +192,9 @@ def genomeExistsError() { "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" error(error_string) } -}// +} + +// // Generate methods description for MultiQC // def toolCitationText() { diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test index 8ed4310c..68718e4f 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test @@ -51,4 +51,4 @@ nextflow_function { ) } } -} \ No newline at end of file +} diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap index db2030f8..e3f0baf4 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap @@ -3,10 +3,18 @@ "content": [ "v9.9.9" ], - "timestamp": "2024-01-19T11:32:36.031083" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:02:05.308243" }, "Test Function checkCondaChannels": { "content": null, - "timestamp": "2024-01-19T11:32:50.456" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:02:12.425833" } } \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test index f7c54bc6..ca964ce8 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test @@ -11,9 +11,6 @@ nextflow_workflow { test("Should run no inputs") { when { - params { - outdir = "tests/results" - } workflow { """ print_version = false @@ -39,9 +36,6 @@ nextflow_workflow { test("Should print version") { when { - params { - outdir = "tests/results" - } workflow { """ print_version = true @@ -68,19 +62,16 @@ nextflow_workflow { test("Should dump params") { when { - params { - outdir = "$outputDir" - } workflow { """ print_version = false dump_parameters = true - outdir = params.outdir + outdir = 'results' check_conda_channels = false input[0] = false input[1] = true - input[2] = params.outdir + input[2] = outdir input[3] = false """ } @@ -96,19 +87,16 @@ nextflow_workflow { test("Should not create params JSON if no output directory") { when { - params { - outdir = "$outputDir" - } workflow { """ print_version = false dump_parameters = true - outdir = params.outdir + outdir = null check_conda_channels = false input[0] = false input[1] = true - input[2] = null + input[2] = outdir input[3] = false """ } diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config b/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config index 53574ffe..d0a926bf 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config @@ -6,4 +6,4 @@ manifest { nextflowVersion = '!>=23.04.0' version = '9.9.9' doi = 'https://doi.org/10.5281/zenodo.5070524' -} \ No newline at end of file +} diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap index 10f948e6..1037232c 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap @@ -1,25 +1,41 @@ { "Test Function checkProfileProvided": { "content": null, - "timestamp": "2024-02-09T15:43:55.145717" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:03:03.360873" }, "Test Function checkConfigProvided": { "content": [ true ], - "timestamp": "2024-01-19T11:34:13.548431224" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:02:59.729647" }, "Test Function nfCoreLogo": { "content": [ "\n\n-\u001b[2m----------------------------------------------------\u001b[0m-\n \u001b[0;32m,--.\u001b[0;30m/\u001b[0;32m,-.\u001b[0m\n\u001b[0;34m ___ __ __ __ ___ \u001b[0;32m/,-._.--~'\u001b[0m\n\u001b[0;34m |\\ | |__ __ / ` / \\ |__) |__ \u001b[0;33m} {\u001b[0m\n\u001b[0;34m | \\| | \\__, \\__/ | \\ |___ \u001b[0;32m\\`-._,-`-,\u001b[0m\n \u001b[0;32m`._,._,'\u001b[0m\n\u001b[0;35m nextflow_workflow v9.9.9\u001b[0m\n-\u001b[2m----------------------------------------------------\u001b[0m-\n" ], - "timestamp": "2024-01-19T11:34:38.840454873" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:03:10.562934" }, "Test Function workflowCitation": { "content": [ "If you use nextflow_workflow for your analysis please cite:\n\n* The pipeline\n https://doi.org/10.5281/zenodo.5070524\n\n* The nf-core framework\n https://doi.org/10.1038/s41587-020-0439-x\n\n* Software dependencies\n https://github.com/nextflow_workflow/blob/master/CITATIONS.md" ], - "timestamp": "2024-01-19T11:34:22.24352016" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:03:07.019761" }, "Test Function without logColours": { "content": [ @@ -73,13 +89,21 @@ "biwhite": "" } ], - "timestamp": "2024-01-19T11:35:04.418416984" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:03:17.969323" }, "Test Function dashedLine": { "content": [ "-\u001b[2m----------------------------------------------------\u001b[0m-" ], - "timestamp": "2024-01-19T11:34:55.420000755" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:03:14.366181" }, "Test Function with logColours": { "content": [ @@ -133,6 +157,10 @@ "biwhite": "\u001b[1;97m" } ], - "timestamp": "2024-01-19T11:35:13.436366565" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:03:21.714424" } } \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test.snap b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test.snap index d07ce54c..859d1030 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test.snap +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.workflow.nf.test.snap @@ -10,6 +10,10 @@ ] } ], - "timestamp": "2024-01-19T11:35:22.538940073" + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-02-28T12:03:25.726491" } } \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test index 517ee54e..5784a33f 100644 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test +++ b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test @@ -197,4 +197,4 @@ nextflow_workflow { ) } } -} \ No newline at end of file +} From 51049b2cfc3cc4466c9ba1d923b55dcf47ed8dc2 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 13 Mar 2024 10:39:18 +0100 Subject: [PATCH 109/168] Changelog update --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 31166fdf..f455b824 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#250](https://github.com/nf-core/differentialabundance/pull/250)] - Template update for nf-core/tools v2.13.1 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#244](https://github.com/nf-core/differentialabundance/pull/244)] - Add pipeline params for matrixfilter NA options ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#241](https://github.com/nf-core/differentialabundance/pull/241)] - Template update for nf-core/tools v2.13 ([@WackerO](https://github.com/WackerO), review by [@nvnieuwk](https://github.com/nvnieuwk)) - [[#228](https://github.com/nf-core/differentialabundance/pull/228)] - Template update for nf-core/tools v2.12 ([@nf-core-bot](https://github.com/nf-core-bot), review by [@pinin4fjords](https://github.com/pinin4fjords), [@WackerO](https://github.com/WackerO)) From 77b72ccf5e18b0bb0d66b953be3800011d09f594 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Wed, 13 Mar 2024 10:05:08 +0000 Subject: [PATCH 110/168] Ran nf-core lint --fix files_unchanged --- .github/CONTRIBUTING.md | 14 ++++++++------ .github/PULL_REQUEST_TEMPLATE.md | 2 +- .github/workflows/linting.yml | 2 +- ...-core-differentialabundance_logo_light.png | Bin 71588 -> 71023 bytes ...f-core-differentialabundance_logo_dark.png | Bin 21494 -> 21163 bytes ...-core-differentialabundance_logo_light.png | Bin 18165 -> 17745 bytes 6 files changed, 10 insertions(+), 8 deletions(-) diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index 02f882b9..f5305291 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -9,9 +9,8 @@ Please use the pre-filled template to save time. However, don't be put off by this template - other more general issues and suggestions are welcome! Contributions to the code are even more welcome ;) -:::info -If you need help using or modifying nf-core/differentialabundance then the best place to ask is on the nf-core Slack [#differentialabundance](https://nfcore.slack.com/channels/differentialabundance) channel ([join our Slack here](https://nf-co.re/join/slack)). -::: +> [!NOTE] +> If you need help using or modifying nf-core/differentialabundance then the best place to ask is on the nf-core Slack [#differentialabundance](https://nfcore.slack.com/channels/differentialabundance) channel ([join our Slack here](https://nf-co.re/join/slack)). ## Contribution workflow @@ -27,8 +26,11 @@ If you're not used to this workflow with git, you can start with some [docs from ## Tests -You can optionally test your changes by running the pipeline locally. Then it is recommended to use the `debug` profile to -receive warnings about process selectors and other debug info. Example: `nextflow run . -profile debug,test,docker --outdir `. +You have the option to test your changes locally by running the pipeline. For receiving warnings about process selectors and other `debug` information, it is recommended to use the debug profile. Execute all the tests with the following command: + +```bash +nf-test test --profile debug,test,docker --verbose +``` When you create a pull request with changes, [GitHub Actions](https://github.com/features/actions) will run automatic tests. Typically, pull-requests are only fully reviewed when these tests are passing, though of course we can help out before then. @@ -90,7 +92,7 @@ Once there, use `nf-core schema build` to add to `nextflow_schema.json`. Sensible defaults for process resource requirements (CPUs / memory / time) for a process should be defined in `conf/base.config`. These should generally be specified generic with `withLabel:` selectors so they can be shared across multiple processes/steps of the pipeline. A nf-core standard set of labels that should be followed where possible can be seen in the [nf-core pipeline template](https://github.com/nf-core/tools/blob/master/nf_core/pipeline-template/conf/base.config), which has the default process as a single core-process, and then different levels of multi-core configurations for increasingly large memory requirements defined with standardised labels. -The process resources can be passed on to the tool dynamically within the process with the `${task.cpu}` and `${task.memory}` variables in the `script:` block. +The process resources can be passed on to the tool dynamically within the process with the `${task.cpus}` and `${task.memory}` variables in the `script:` block. ### Naming schemes diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 89778df2..70d62a73 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -18,7 +18,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/diff - [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/differentialabundance/tree/master/.github/CONTRIBUTING.md) - [ ] If necessary, also make a PR on the nf-core/differentialabundance _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. - [ ] Make sure your code lints (`nf-core lint`). -- [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir `). +- [ ] Ensure the test suite passes (`nf-test test main.nf.test -profile test,docker`). - [ ] Check for unexpected warnings in debug mode (`nextflow run . -profile debug,test,docker --outdir `). - [ ] Usage Documentation in `docs/usage.md` is updated. - [ ] Output Documentation in `docs/output.md` is updated. diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index 748b4311..073e1876 100644 --- a/.github/workflows/linting.yml 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zd&uaW1ZWt1a2*JSH1N%jNIs`Z7ilrNR4KoH#dG%0vWWIR*db*T|5wCUyCm&i1qyz9 z%{Wiz`Zhx?J|4$-KH4~1bE2vGtNlB)$HaMIH0yQ^sLZUq@Wn)EEGPpTRX1+oOJ#h- zTxQjx;osS7b#7;`k6^*&?>Ql`NzB)_T^PWDE`IXY1S;+>s7;MWSXlLD3d(A zy=g~MSmH7FJyoE%y+&o=vN&BB|0?_2DjQ!gnR+!-&nE9yGXG)&?bDNNUe#vE1hB;J zUuy}HlWP(&I0Eql&sgJQB>KgJ_mi8NYL3||+Ex|)(P#Iasp%VdHI&-#@GP+DjH8{J zHtXGFb2xqRU2RsR14*L9J~msq7y+Vj_<6lP6L0PVm0eS)NClqzO%3BJw^Iqk64BL= z@SiVsKP}F)Q}C5-T_W$b?ce{upZ~i9|91!e|9S^9&a%X%gKvapJmkY~Un54(^g_9= H)7}3MF9vs} From adbc14f7caef3e0c3c83657ba2d3d88f33a5380f Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 19 Mar 2024 15:08:05 +0100 Subject: [PATCH 113/168] Added QBiC credits, made observations_name_col optional on modules.config, changed features_id/name_col helptext --- README.md | 2 +- conf/modules.config | 8 +++----- conf/test.config | 1 - nextflow_schema.json | 6 +++--- 4 files changed, 7 insertions(+), 10 deletions(-) diff --git a/README.md b/README.md index 889f577c..66e46c8d 100644 --- a/README.md +++ b/README.md @@ -110,7 +110,7 @@ For more details about the output files and reports, please refer to the ## Credits -nf-core/differentialabundance was originally written by Jonathan Manning ([@pinin4fjords](https://github.com/pinin4fjords)) and Oskar Wacker ([@WackerO](https://github.com/WackerO)). Jonathan Manning (now at Seqera) initially worked on this workflow as an employee of Healx, an AI-powered, patient-inspired tech company, accelerating the discovery and development of treatments for rare diseases. We are grateful for their support of open science in this project. +nf-core/differentialabundance was originally written by Jonathan Manning ([@pinin4fjords](https://github.com/pinin4fjords)) and Oskar Wacker ([@WackerO](https://github.com/WackerO)). Jonathan Manning (now at Seqera) initially worked on this workflow as an employee of Healx, an AI-powered, patient-inspired tech company, accelerating the discovery and development of treatments for rare diseases. Oskar Wacker works for [QBiC](https://www.qbic.uni-tuebingen.de/) at Tübingen University. We are grateful for their support of open science in this project. We thank the many members of the nf-core community who assisted with this pipeline, often by reviewing module pull requests including but not limited to: diff --git a/conf/modules.config b/conf/modules.config index 5e4a36de..a2d0f2e1 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -62,12 +62,11 @@ process { ] ext.prefix = { "raw." } ext.args = { [ - "--sample_name_col \"${params.observations_name_col}\"", + ((params.observations_name_col == null) ? "--sample_name_col \"${params.observations_id_col}\"" : "--sample_name_col \"${params.observations_name_col}\""), "--file_name_col \"${params.affy_file_name_col}\"", "--background ${params.affy_background}", "--normalize False", "--bgversion ${params.affy_bgversion}", - "--file_name_col \"${params.affy_file_name_col}\"", "--destructive ${params.affy_destructive}", "--rm.mask ${params.affy_rm_mask}", "--rm.outliers ${params.affy_rm_outliers}", @@ -86,12 +85,11 @@ process { ] ext.prefix = { "normalised." } ext.args = { [ - "--sample_name_col \"${params.observations_name_col}\"", + ((params.observations_name_col == null) ? "--sample_name_col \"${params.observations_id_col}\"" : "--sample_name_col \"${params.observations_name_col}\""), "--file_name_col \"${params.affy_file_name_col}\"", "--background ${params.affy_background}", "--normalize True", "--bgversion ${params.affy_bgversion}", - "--file_name_col \"${params.affy_file_name_col}\"", "--destructive ${params.affy_destructive}", "--rm.mask ${params.affy_rm_mask}", "--rm.outliers ${params.affy_rm_outliers}", @@ -423,7 +421,7 @@ process { "--assay_names \"${params.exploratory_assay_names}\"", "--sample_id_col \"${params.observations_id_col}\"", "--feature_id_col \"${params.features_id_col}\"", - "--feature_name_col \"${params.features_name_col}\"", + ((params.features_name_col == null) ? "--feature_name_col \"${params.features_id_col}\"" : "--feature_name_col \"${params.features_name_col}\""), "--diff_feature_id_col \"${params.differential_feature_id_column}\"", "--fold_change_column \"${params.differential_fc_column}\"", "--pval_column \"${params.differential_pval_column}\"", diff --git a/conf/test.config b/conf/test.config index 4d4e9454..49cce2f7 100644 --- a/conf/test.config +++ b/conf/test.config @@ -34,7 +34,6 @@ params { // Observations observations_id_col = 'sample' - observations_name_col = 'sample' // Apply a higher filter to check that the filtering works filtering_min_abundance=10 diff --git a/nextflow_schema.json b/nextflow_schema.json index acb712b5..7a688e8c 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -119,7 +119,6 @@ }, "observations_name_col": { "type": "string", - "default": "sample", "description": "Column in the sample sheet to be used as the display identifier for observations", "fa_icon": "fas fa-file-signature" } @@ -137,13 +136,13 @@ "features_id_col": { "type": "string", "default": "gene_id", - "description": "Feature ID attribute in the GTF file (e.g. the gene_id field)", + "description": "Feature ID attribute in the abundance table as well as in the GTF file (e.g. the gene_id field)", "fa_icon": "fas fa-address-card" }, "features_name_col": { "type": "string", "default": "gene_name", - "description": "Feature name attribute in the GTF file (e.g. the gene symbol field)", + "description": "Feature name attribute in the abundance table as well as in the GTF file (e.g. the gene symbol field)", "fa_icon": "fas fa-signature" }, "features_type": { @@ -1014,6 +1013,7 @@ "report_file": { "type": "string", "description": "Rmd report template from which to create the pipeline report", + "help_text": "The pipeline will always generate a default report which gives a good overview of the analysis results. Should this default report not suit your needs, you can provide the path to a custom report instead.", "format": "file-path", "pattern": "^\\S+\\.Rmd$", "fa_icon": "fas fa-book" From 65550c5a95667a5533a84ceed3440880e28564b3 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Mar 2024 13:37:01 +0100 Subject: [PATCH 114/168] Moved differential_file_suffix and exploratory_assay_names to advanced options, made suffix an optional param2 --- assets/differentialabundance_report.Rmd | 7 +++-- nextflow.config | 7 +++-- nextflow_schema.json | 37 +++++++++++++++---------- 3 files changed, 32 insertions(+), 19 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 1c509001..26fb7f4e 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -360,9 +360,12 @@ treatment-mCherry-hND6-batcheffect.deseq2.results.tsv --> ```{r, echo=FALSE} - +differential_file_suffix <- params$differential_file_suffix +if (is.null(differential_file_suffix)) { + differential_file_suffix <- ifelse(params$study_type %in% c('rnaseq'), ".deseq2.results.tsv", ".limma.results.tsv") +} differential_files <- lapply(contrasts$id, function(d){ - file.path(params$input_dir, paste0(gsub(' |;', '_', d), params$differential_file_suffix)) + file.path(params$input_dir, paste0(gsub(' |;', '_', d), differential_file_suffix)) }) differential_results <- lapply(differential_files, function(diff_file){ diff --git a/nextflow.config b/nextflow.config index 055bfa4e..95076f4f 100644 --- a/nextflow.config +++ b/nextflow.config @@ -84,12 +84,10 @@ params { exploratory_n_features = 500 exploratory_whisker_distance = 1.5 exploratory_mad_threshold = -5 - exploratory_assay_names = "raw,normalised,variance_stabilised" exploratory_final_assay = "variance_stabilised" exploratory_palette_name = 'Set1' // Differential options - differential_file_suffix = ".deseq2.results.tsv" differential_feature_id_column = "gene_id" differential_feature_name_column = "gene_name" differential_fc_column = "log2FoldChange" @@ -188,6 +186,11 @@ params { // Gene set options gene_sets_files = null + // Advanced options + differential_file_suffix = null + exploratory_assay_names = "raw,normalised,variance_stabilised" + + // References genome = null igenomes_base = 's3://ngi-igenomes/igenomes/' diff --git a/nextflow_schema.json b/nextflow_schema.json index 7a688e8c..b24b171a 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -80,7 +80,7 @@ "type": "string", "fa_icon": "fas fa-border-all", "description": "(RNA-seq only): optional transcript length matrix with samples and genes as the abundance matrix", - "help_text": "if provided, this file willl be used to provide transcript lengths to DESeq2 to model length bias across samples" + "help_text": "If provided, this file willl be used to provide transcript lengths to DESeq2 to model length bias across samples" }, "affy_cel_files_archive": { "type": "string", @@ -388,13 +388,6 @@ "help_text": "Some plots are only generated once, with a single sample grouping, this option defines how that sample grouping is selected. It should be 'auto_pca' (variable selected from the sample sheet with the most association with the first principal component), 'contrasts' (pick the variable associated with the first contrast), or a value specifying a specific column in the observations.", "fa_icon": "fas fa-home" }, - "exploratory_assay_names": { - "type": "string", - "default": "raw,normalised,variance_stabilised", - "hidden": true, - "description": "Specifies assay names to be used for matrices, platform-specific", - "fa_icon": "fas fa-file-signature" - }, "exploratory_final_assay": { "type": "string", "default": "variance_stabilised", @@ -425,12 +418,6 @@ "description": "Options related to differential operations", "default": "", "properties": { - "differential_file_suffix": { - "type": "string", - "default": ".deseq2.results.tsv", - "description": "The suffix associated tabular differential results tables", - "fa_icon": "fas fa-signature" - }, "differential_feature_id_column": { "type": "string", "default": "gene_id", @@ -499,7 +486,6 @@ } }, "required": [ - "differential_file_suffix", "differential_feature_id_column", "differential_fc_column", "differential_qval_column", @@ -1080,6 +1066,27 @@ }, "required": ["report_file", "logo_file", "css_file"] }, + "advanced_options": { + "title": "Advanced options", + "type": "object", + "description": "", + "default": "", + "properties": { + "differential_file_suffix": { + "type": "string", + "description": "The suffix associated tabular differential results tables", + "fa_icon": "fas fa-signature" + }, + "exploratory_assay_names": { + "type": "string", + "default": "raw,normalised,variance_stabilised", + "hidden": true, + "description": "Specifies assay names to be used for matrices, platform-specific", + "fa_icon": "fas fa-file-signature" + } + }, + "required": ["differential_file_suffix", "exploratory_assay_names"] + }, "reference_genome_options": { "title": "Reference genome options", "type": "object", From 5c08b3bb1100039af3bd3347a1fba30adc8454d0 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Mar 2024 15:21:18 +0100 Subject: [PATCH 115/168] linting --- nextflow_schema.json | 3 +++ 1 file changed, 3 insertions(+) diff --git a/nextflow_schema.json b/nextflow_schema.json index b24b171a..b485115e 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1333,6 +1333,9 @@ { "$ref": "#/definitions/reporting_options" }, + { + "$ref": "#/definitions/advanced_options" + }, { "$ref": "#/definitions/reference_genome_options" }, From 13899f432de08408c5a0999c2a8fded2eefe71a0 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Mar 2024 15:23:38 +0100 Subject: [PATCH 116/168] updated changelog --- CHANGELOG.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index cb15bcd3..9e7351ab 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#254](https://github.com/nf-core/differentialabundance/pull/254)] - Added advanced params section, added QBiC credits ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#250](https://github.com/nf-core/differentialabundance/pull/250)] - Template update for nf-core/tools v2.13.1 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#244](https://github.com/nf-core/differentialabundance/pull/244)] - Add pipeline params for matrixfilter NA options ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#241](https://github.com/nf-core/differentialabundance/pull/241)] - Template update for nf-core/tools v2.13 ([@WackerO](https://github.com/WackerO), review by [@nvnieuwk](https://github.com/nvnieuwk)) @@ -17,7 +18,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [[#240](https://github.com/nf-core/differentialabundance/pull/240) - Publish GSEA reports ([@pinin4fjords](https://github.com/pinin4fjords), review by ) +- [[#254](https://github.com/nf-core/differentialabundance/pull/254)] - Made differential_file_suffix optional ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#240](https://github.com/nf-core/differentialabundance/pull/240)] - Publish GSEA reports ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#231](https://github.com/nf-core/differentialabundance/pull/231)] - Update GSEA module to fix butterfly plot bug ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#226](https://github.com/nf-core/differentialabundance/pull/226)] - Fix DESEQ2_NORM in modules.config ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#221](https://github.com/nf-core/differentialabundance/pull/221)] - Update shinyngs modules to address density plots issue ([@pinin4fjords](https://github.com/pinin4fjords), review by [@maxulysse](https://github.com/maxulysse)) From 2d174cee80ab80b080f6bf4e9a9c3509341943b8 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 20 Mar 2024 15:40:09 +0100 Subject: [PATCH 117/168] Version bump in preparation of release 1.5.0 --- CHANGELOG.md | 2 +- assets/multiqc_config.yml | 2 +- nextflow.config | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index cb15bcd3..2a546929 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v1.5.0dev +## v1.5.0 ### `Added` diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index a38f3755..bc8bed92 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,5 +1,5 @@ report_comment: > - This report has been generated by the nf-core/differentialabundance analysis pipeline. For information about how to interpret these results, please see the documentation. + This report has been generated by the nf-core/differentialabundance analysis pipeline. For information about how to interpret these results, please see the documentation. report_section_order: "nf-core-differentialabundance-methods-description": order: -1000 diff --git a/nextflow.config b/nextflow.config index 055bfa4e..7f2b6088 100644 --- a/nextflow.config +++ b/nextflow.config @@ -410,7 +410,7 @@ manifest { description = 'Differential abundance analysis' mainScript = 'main.nf' nextflowVersion = '!>=23.10.0' - version = '1.5.0dev' + version = '1.5.0' doi = '10.5281/zenodo.7568000' } From 37fa90a978953acdf122b917b5065d98f25372dc Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Thu, 21 Mar 2024 12:29:09 +0100 Subject: [PATCH 118/168] Update README.md Co-authored-by: Jonathan Manning --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 66e46c8d..adaee862 100644 --- a/README.md +++ b/README.md @@ -110,7 +110,7 @@ For more details about the output files and reports, please refer to the ## Credits -nf-core/differentialabundance was originally written by Jonathan Manning ([@pinin4fjords](https://github.com/pinin4fjords)) and Oskar Wacker ([@WackerO](https://github.com/WackerO)). Jonathan Manning (now at Seqera) initially worked on this workflow as an employee of Healx, an AI-powered, patient-inspired tech company, accelerating the discovery and development of treatments for rare diseases. Oskar Wacker works for [QBiC](https://www.qbic.uni-tuebingen.de/) at Tübingen University. We are grateful for their support of open science in this project. +nf-core/differentialabundance was originally written by Jonathan Manning ([@pinin4fjords](https://github.com/pinin4fjords)) and Oskar Wacker ([@WackerO](https://github.com/WackerO)). Jonathan Manning (now at Seqera) initially worked on this workflow as an employee of Healx, an AI-powered, patient-inspired tech company, accelerating the discovery and development of treatments for rare diseases. Oskar Wacker works for [QBiC](https://www.qbic.uni-tuebingen.de/) at Tübingen University. We are grateful for the support of open science in this project. We thank the many members of the nf-core community who assisted with this pipeline, often by reviewing module pull requests including but not limited to: From a64c11a684ff30edda58fb52c4f82f84114d69df Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Thu, 21 Mar 2024 12:29:56 +0100 Subject: [PATCH 119/168] Update conf/modules.config Co-authored-by: Jonathan Manning --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index a2d0f2e1..167ef943 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -62,7 +62,7 @@ process { ] ext.prefix = { "raw." } ext.args = { [ - ((params.observations_name_col == null) ? "--sample_name_col \"${params.observations_id_col}\"" : "--sample_name_col \"${params.observations_name_col}\""), + "--sample_name_col \"" + (params.observations_name_col == null ? params.observations_id_col : params.observations_name_col) + "\"", "--file_name_col \"${params.affy_file_name_col}\"", "--background ${params.affy_background}", "--normalize False", From 0c352ebe682f23252600bc4aa2f6e6b9ba183267 Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Thu, 21 Mar 2024 12:30:21 +0100 Subject: [PATCH 120/168] Update conf/modules.config Co-authored-by: Jonathan Manning --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 167ef943..04e011f1 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -85,7 +85,7 @@ process { ] ext.prefix = { "normalised." } ext.args = { [ - ((params.observations_name_col == null) ? "--sample_name_col \"${params.observations_id_col}\"" : "--sample_name_col \"${params.observations_name_col}\""), + "--sample_name_col \"" + (params.observations_name_col == null ? params.observations_id_col : params.observations_name_col) + "\"", "--file_name_col \"${params.affy_file_name_col}\"", "--background ${params.affy_background}", "--normalize True", From ba94655b7c9baf1bb58a739418a3eb8b33094525 Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Thu, 21 Mar 2024 12:30:30 +0100 Subject: [PATCH 121/168] Update conf/modules.config Co-authored-by: Jonathan Manning --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 04e011f1..3dd4a35a 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -421,7 +421,7 @@ process { "--assay_names \"${params.exploratory_assay_names}\"", "--sample_id_col \"${params.observations_id_col}\"", "--feature_id_col \"${params.features_id_col}\"", - ((params.features_name_col == null) ? "--feature_name_col \"${params.features_id_col}\"" : "--feature_name_col \"${params.features_name_col}\""), + "--feature_name_col \"" + (params.features_name_col == null ? params.features_id_col : params.features_name_col) + "\"", "--diff_feature_id_col \"${params.differential_feature_id_column}\"", "--fold_change_column \"${params.differential_fc_column}\"", "--pval_column \"${params.differential_pval_column}\"", From 1f1566607c3d348001133b394af28d12858bec8e Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 21 Mar 2024 14:35:52 +0100 Subject: [PATCH 122/168] Returned advanced options to their sections, removed default for observations_name_col --- nextflow.config | 9 +++------ nextflow_schema.json | 33 ++++++++++++--------------------- 2 files changed, 15 insertions(+), 27 deletions(-) diff --git a/nextflow.config b/nextflow.config index 95076f4f..c7130eae 100644 --- a/nextflow.config +++ b/nextflow.config @@ -36,7 +36,7 @@ params { // Sample sheet options observations_type = 'sample' observations_id_col = 'sample' - observations_name_col = 'sample' + observations_name_col = null // Feature options features = null @@ -84,10 +84,12 @@ params { exploratory_n_features = 500 exploratory_whisker_distance = 1.5 exploratory_mad_threshold = -5 + exploratory_assay_names = "raw,normalised,variance_stabilised" exploratory_final_assay = "variance_stabilised" exploratory_palette_name = 'Set1' // Differential options + differential_file_suffix = null differential_feature_id_column = "gene_id" differential_feature_name_column = "gene_name" differential_fc_column = "log2FoldChange" @@ -186,11 +188,6 @@ params { // Gene set options gene_sets_files = null - // Advanced options - differential_file_suffix = null - exploratory_assay_names = "raw,normalised,variance_stabilised" - - // References genome = null igenomes_base = 's3://ngi-igenomes/igenomes/' diff --git a/nextflow_schema.json b/nextflow_schema.json index b485115e..116f1396 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -388,6 +388,13 @@ "help_text": "Some plots are only generated once, with a single sample grouping, this option defines how that sample grouping is selected. It should be 'auto_pca' (variable selected from the sample sheet with the most association with the first principal component), 'contrasts' (pick the variable associated with the first contrast), or a value specifying a specific column in the observations.", "fa_icon": "fas fa-home" }, + "exploratory_assay_names": { + "type": "string", + "default": "raw,normalised,variance_stabilised", + "hidden": true, + "description": "Specifies assay names to be used for matrices, platform-specific.", + "fa_icon": "fas fa-file-signature" + }, "exploratory_final_assay": { "type": "string", "default": "variance_stabilised", @@ -418,6 +425,11 @@ "description": "Options related to differential operations", "default": "", "properties": { + "differential_file_suffix": { + "type": "string", + "description": "Advanced option: the suffix associated tabular differential results tables. Will by default use the appropriate suffix according to the study_type.", + "fa_icon": "fas fa-signature" + }, "differential_feature_id_column": { "type": "string", "default": "gene_id", @@ -1066,27 +1078,6 @@ }, "required": ["report_file", "logo_file", "css_file"] }, - "advanced_options": { - "title": "Advanced options", - "type": "object", - "description": "", - "default": "", - "properties": { - "differential_file_suffix": { - "type": "string", - "description": "The suffix associated tabular differential results tables", - "fa_icon": "fas fa-signature" - }, - "exploratory_assay_names": { - "type": "string", - "default": "raw,normalised,variance_stabilised", - "hidden": true, - "description": "Specifies assay names to be used for matrices, platform-specific", - "fa_icon": "fas fa-file-signature" - } - }, - "required": ["differential_file_suffix", "exploratory_assay_names"] - }, "reference_genome_options": { "title": "Reference genome options", "type": "object", From 8fa83dd0b975d9c40cec595c6aaa8aaa020171ca Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 21 Mar 2024 14:36:23 +0100 Subject: [PATCH 123/168] linting --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 3dd4a35a..5fbb5421 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -62,7 +62,7 @@ process { ] ext.prefix = { "raw." } ext.args = { [ - "--sample_name_col \"" + (params.observations_name_col == null ? params.observations_id_col : params.observations_name_col) + "\"", + "--sample_name_col \"" + (params.observations_name_col == null ? params.observations_id_col : params.observations_name_col) + "\"", "--file_name_col \"${params.affy_file_name_col}\"", "--background ${params.affy_background}", "--normalize False", From 82cba18c56261a2b9b6ed784326e7760e742894b Mon Sep 17 00:00:00 2001 From: WackerO Date: Thu, 21 Mar 2024 14:43:17 +0100 Subject: [PATCH 124/168] removed advanced options key from schema, re-added example of observations_name_col --- conf/test.config | 1 + nextflow_schema.json | 3 --- 2 files changed, 1 insertion(+), 3 deletions(-) diff --git a/conf/test.config b/conf/test.config index 49cce2f7..4d4e9454 100644 --- a/conf/test.config +++ b/conf/test.config @@ -34,6 +34,7 @@ params { // Observations observations_id_col = 'sample' + observations_name_col = 'sample' // Apply a higher filter to check that the filtering works filtering_min_abundance=10 diff --git a/nextflow_schema.json b/nextflow_schema.json index 116f1396..f9603f80 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1324,9 +1324,6 @@ { "$ref": "#/definitions/reporting_options" }, - { - "$ref": "#/definitions/advanced_options" - }, { "$ref": "#/definitions/reference_genome_options" }, From 0854d3f53526d9fb1e2dce9c17288f85c65eb6eb Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 22 Mar 2024 14:28:48 +0100 Subject: [PATCH 125/168] added description of observations_name_col default --- nextflow_schema.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index f9603f80..f9826d19 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -119,7 +119,7 @@ }, "observations_name_col": { "type": "string", - "description": "Column in the sample sheet to be used as the display identifier for observations", + "description": "Column in the sample sheet to be used as the display identifier for observations. If unset, will use value of --observations_id_col.", "fa_icon": "fas fa-file-signature" } }, From 76971c395e6962f8d5cc695be15e109c853caaa6 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 09:07:00 +0100 Subject: [PATCH 126/168] added maxquant profile to nextflow.config, clarified some docu, made obs_name_col optional in report.rmd --- assets/differentialabundance_report.Rmd | 11 ++++++----- docs/usage.md | 5 ++++- nextflow.config | 1 + 3 files changed, 11 insertions(+), 6 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index 26fb7f4e..fa8787f1 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -267,8 +267,9 @@ for (r in seq_along(contributors)) { ```{r, echo=FALSE} observations <- read_metadata(file.path(params$input_dir, params$observations), id_col = params$observations_id_col) -if (! params$observations_name_col %in% colnames(observations)){ - stop(paste('Invalid observation name column specified: ', params$observations_name_col, paste0('(Valid values are: ', paste(colnames(observations), collapse=', '),')'))) +observations_name_col <- ifelse(!is.null(params$observations_name_col), params$observations_name_col, params$observations_id_col) +if (! observations_name_col %in% colnames(observations)){ + stop(paste('Invalid observation name column specified: ', observations_name_col, paste0('(Valid values are: ', paste(colnames(observations), collapse=', '),')'))) } if (! is.null(params$features)){ @@ -305,7 +306,7 @@ assay_data <- lapply(assay_files, function(x) { row.names = 1 ) ) - colnames(mat) <- observations[[params$observations_name_col]][match(colnames(mat), rownames(observations))] + colnames(mat) <- observations[[observations_name_col]][match(colnames(mat), rownames(observations))] mat }) @@ -316,7 +317,7 @@ if (!is.null(params$features_log2_assays)) { assay_data <- cond_log2_transform_assays(assay_data, params$features_log2_assays) # Now we can rename the observations rows using the title field -rownames(observations) <- observations[[params$observations_name_col]] +rownames(observations) <- observations[[observations_name_col]] # Run PCA early so we can understand how important each variable is pca_datas <- lapply(names(assay_data), function(assay_type){ @@ -547,7 +548,7 @@ Whiskers in the above boxplots show `r params$exploratory_whisker_distance` time plotly_densityplot( assay_data, experiment = observations, - colorby = params$observations_name_col, + colorby = observations_name_col, expressiontype = paste("count per", params$features_type), makeColorScale(length(unique(observations[[params$observations_id_col]])), palette = "Set1") ) diff --git a/docs/usage.md b/docs/usage.md index b5f9f3d9..af41bd4e 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -23,7 +23,10 @@ With the above in mind, running this workflow requires: --input '[path to samplesheet file]' ``` -This may well be the same sample sheet used to generate the input matrix. For example, in RNA-seq this might be the same sample sheet, perhaps derived from [fetchngs](https://github.com/nf-core/fetchngs), that was input to the [RNA-seq workflow](https://github.com/nf-core/rnaseq). It may be necessary to add columns that describe the groups you want to compare. +This may well be the same sample sheet used to generate the input matrix. For example, in RNA-seq this might be the same sample sheet, perhaps derived from [fetchngs](https://github.com/nf-core/fetchngs), that was input to the [RNA-seq workflow](https://github.com/nf-core/rnaseq). It may be necessary to add columns that describe the groups you want to compare. The columns that the pipeline requires are: +- a column listing the sample IDs (must be the same IDs as in the abundance matrix); in the example below it is called sample. For some study_types, this column might need to be filled in with file names, e.g. when doing an affymetrix analysis +- one or more columns describing conditions for the differential analysis; in the example below it is called condition +- optionally one or more columns describing sample batches or similar which you want to be considered in the analysis; in the example below it is called batch. For example: diff --git a/nextflow.config b/nextflow.config index 64afbb72..cea65a45 100644 --- a/nextflow.config +++ b/nextflow.config @@ -342,6 +342,7 @@ profiles { test_nogtf { includeConfig 'conf/test_nogtf.config' } test_full { includeConfig 'conf/test_full.config' } affy { includeConfig 'conf/affy.config' } + maxquant { includeConfig 'conf/maxquant.config' } rnaseq { includeConfig 'conf/rnaseq.config' } soft {includeConfig 'conf/soft.config'} test_affy { includeConfig 'conf/test_affy.config' } From d1f8d3b3a4f0a42a04d785df028bbe0947f2a596 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 09:25:08 +0100 Subject: [PATCH 127/168] prettier --- docs/usage.md | 1 + 1 file changed, 1 insertion(+) diff --git a/docs/usage.md b/docs/usage.md index af41bd4e..35066b9e 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -24,6 +24,7 @@ With the above in mind, running this workflow requires: ``` This may well be the same sample sheet used to generate the input matrix. For example, in RNA-seq this might be the same sample sheet, perhaps derived from [fetchngs](https://github.com/nf-core/fetchngs), that was input to the [RNA-seq workflow](https://github.com/nf-core/rnaseq). It may be necessary to add columns that describe the groups you want to compare. The columns that the pipeline requires are: + - a column listing the sample IDs (must be the same IDs as in the abundance matrix); in the example below it is called sample. For some study_types, this column might need to be filled in with file names, e.g. when doing an affymetrix analysis - one or more columns describing conditions for the differential analysis; in the example below it is called condition - optionally one or more columns describing sample batches or similar which you want to be considered in the analysis; in the example below it is called batch. From 5f259661d41a210b6ffe91c35073f6519478480f Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 09:59:10 +0100 Subject: [PATCH 128/168] Trying to fix the pipeline pull issue --- nextflow.config | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/nextflow.config b/nextflow.config index 64afbb72..801b8eda 100644 --- a/nextflow.config +++ b/nextflow.config @@ -22,10 +22,10 @@ params { sizefactors_from_controls = false // Reporting - logo_file = "docs/images/nf-core-differentialabundance_logo_light.png" - css_file = "assets/nf-core_style.css" - citations_file = "CITATIONS.md" - report_file = "assets/differentialabundance_report.Rmd" + logo_file = "$projectDir/docs/images/nf-core-differentialabundance_logo_light.png" + css_file = "$projectDir/assets/nf-core_style.css" + citations_file = "$projectDir/CITATIONS.md" + report_file = "$projectDir/assets/differentialabundance_report.Rmd" report_title = null report_author = null report_contributors = null From 6520455573a9e6cd6f166b6e1b337614af11d16c Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 14:08:12 +0100 Subject: [PATCH 129/168] Bugfix in proteus_measurecol_prefix parameter with final whitespace --- conf/maxquant.config | 2 +- conf/modules.config | 2 +- docs/usage.md | 2 +- nextflow.config | 2 +- nextflow_schema.json | 5 +++-- 5 files changed, 7 insertions(+), 6 deletions(-) diff --git a/conf/maxquant.config b/conf/maxquant.config index ad782b8a..768b48a9 100644 --- a/conf/maxquant.config +++ b/conf/maxquant.config @@ -38,7 +38,7 @@ params { differential_feature_name_column = "Majority protein IDs" // Proteus options - proteus_measurecol_prefix = 'LFQ intensity ' + proteus_measurecol_prefix = 'LFQ intensity_s' // Shiny does not work for this datatype shinyngs_build_app = false diff --git a/conf/modules.config b/conf/modules.config index 5fbb5421..3d4810b2 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -126,7 +126,7 @@ process { "--contrast_variable \"${meta.id}\"", "--sample_id_col \"${params.observations_id_col}\"", "--protein_id_col \"${params.features_id_col}\"", - "--measure_col_prefix \"${params.proteus_measurecol_prefix}\"", + "--measure_col_prefix \"${params.proteus_measurecol_prefix}\"".replaceAll(~/_s\b/, ' '), "--norm_function $params.proteus_norm_function", "--plotsd_method $params.proteus_plotsd_method", "--plotmv_loess $params.proteus_plotmv_loess", diff --git a/docs/usage.md b/docs/usage.md index 35066b9e..0c1a9367 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -100,7 +100,7 @@ So we **do not recommend** raw counts files such as `salmon.merged.gene_counts.t --matrix '[path to matrix file]' ``` -This is the proteinGroups.txt file produced by MaxQuant. It is a tab-separated matrix file with a column for every observation (plus additional columns for other types of measurements and information); each row contains these data for a set of proteins. The parameters `--observations_id_col` and `--features_id_col` define which of the associated fields should be matched in those inputs. The parameter `--proteus_measurecol_prefix` defines which prefix is used to extract those matrix columns which contain the measurements to be used. For example, the default `LFQ intensity ` will indicate that columns like LFQ intensity S1, LFQ intensity S2, LFQ intensity S3 etc. are used (do not forget trailing whitespace in this parameter, if required!). +This is the proteinGroups.txt file produced by MaxQuant. It is a tab-separated matrix file with a column for every observation (plus additional columns for other types of measurements and information); each row contains these data for a set of proteins. The parameters `--observations_id_col` and `--features_id_col` define which of the associated fields should be matched in those inputs. The parameter `--proteus_measurecol_prefix` defines which prefix is used to extract those matrix columns which contain the measurements to be used. For example, the default `LFQ intensity_s` will indicate that columns like LFQ intensity S1, LFQ intensity S2, LFQ intensity S3 etc. are used (_s at the end of the prefix indicates a whitespace; please write any whitespaces in the middle of the prefix normally). ### Affymetrix microarrays diff --git a/nextflow.config b/nextflow.config index cea65a45..97df4487 100644 --- a/nextflow.config +++ b/nextflow.config @@ -63,7 +63,7 @@ params { affy_build_annotation = true // Proteus-specific options - proteus_measurecol_prefix = 'LFQ intensity ' + proteus_measurecol_prefix = 'LFQ intensity_s' proteus_norm_function = 'normalizeMedian' proteus_plotsd_method = 'violin' proteus_plotmv_loess = true diff --git a/nextflow_schema.json b/nextflow_schema.json index f9826d19..6ca8cc9b 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -268,8 +268,9 @@ "properties": { "proteus_measurecol_prefix": { "type": "string", - "default": "LFQ intensity ", - "description": "Prefix of the column names of the MaxQuant proteingroups table in which the intensity values are saved; the prefix has to be followed by the sample names that are also found in the samplesheet. Default: 'LFQ intensity '; take care to also consider trailing whitespace between prefix and samplenames." + "default": "LFQ intensity_s", + "description": "Prefix of the column names of the MaxQuant proteingroups table in which the intensity values are saved; the prefix has to be followed by the sample names that are also found in the samplesheet. Default: 'LFQ intensity_s'.", + "help_text": "If the sample columns are e.g. called 'LFQ intensity sample1', 'LFQ intensity sample2' etc., please set this parameter to 'LFQ intensity_s', the pipeline will replace the _s at the end (and only at the end) with a whitespace (using an actual whitespace might cause an error instead)." }, "proteus_norm_function": { "type": "string", From 10e365eb0e8f86aff985f6c94d25bce735055687 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 14:16:51 +0100 Subject: [PATCH 130/168] prettier --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index 0c1a9367..10c7be50 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -100,7 +100,7 @@ So we **do not recommend** raw counts files such as `salmon.merged.gene_counts.t --matrix '[path to matrix file]' ``` -This is the proteinGroups.txt file produced by MaxQuant. It is a tab-separated matrix file with a column for every observation (plus additional columns for other types of measurements and information); each row contains these data for a set of proteins. The parameters `--observations_id_col` and `--features_id_col` define which of the associated fields should be matched in those inputs. The parameter `--proteus_measurecol_prefix` defines which prefix is used to extract those matrix columns which contain the measurements to be used. For example, the default `LFQ intensity_s` will indicate that columns like LFQ intensity S1, LFQ intensity S2, LFQ intensity S3 etc. are used (_s at the end of the prefix indicates a whitespace; please write any whitespaces in the middle of the prefix normally). +This is the proteinGroups.txt file produced by MaxQuant. It is a tab-separated matrix file with a column for every observation (plus additional columns for other types of measurements and information); each row contains these data for a set of proteins. The parameters `--observations_id_col` and `--features_id_col` define which of the associated fields should be matched in those inputs. The parameter `--proteus_measurecol_prefix` defines which prefix is used to extract those matrix columns which contain the measurements to be used. For example, the default `LFQ intensity_s` will indicate that columns like LFQ intensity S1, LFQ intensity S2, LFQ intensity S3 etc. are used (\_s at the end of the prefix indicates a whitespace; please write any whitespaces in the middle of the prefix normally). ### Affymetrix microarrays From a72c18bb21560ca139820a6487054de3b701f963 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 14:24:28 +0100 Subject: [PATCH 131/168] Readded the projectDir to hopefully get rid of the download error --- nextflow.config | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/nextflow.config b/nextflow.config index 97df4487..397ac711 100644 --- a/nextflow.config +++ b/nextflow.config @@ -22,10 +22,10 @@ params { sizefactors_from_controls = false // Reporting - logo_file = "docs/images/nf-core-differentialabundance_logo_light.png" - css_file = "assets/nf-core_style.css" - citations_file = "CITATIONS.md" - report_file = "assets/differentialabundance_report.Rmd" + logo_file = "${projectDir}/docs/images/nf-core-differentialabundance_logo_light.png" + css_file = "${projectDir}/assets/nf-core_style.css" + citations_file = "${projectDir}/CITATIONS.md" + report_file = "${projectDir}/assets/differentialabundance_report.Rmd" report_title = null report_author = null report_contributors = null From fbb214a91ca5286a97fbd725c60c25a075f8eaf5 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 14:43:43 +0100 Subject: [PATCH 132/168] linting --- ...-core-differentialabundance_logo_light.png | Bin 71588 -> 71023 bytes ...f-core-differentialabundance_logo_dark.png | Bin 21494 -> 21163 bytes ...-core-differentialabundance_logo_light.png | Bin 18165 -> 17745 bytes 3 files changed, 0 insertions(+), 0 deletions(-) diff --git a/assets/nf-core-differentialabundance_logo_light.png b/assets/nf-core-differentialabundance_logo_light.png index 0639e2ae6972fee76169f53e49fbcfdad11c7878..f575c2b7a5e16798a31694c8e4f94781230841e9 100644 GIT binary patch literal 71023 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z85Ma^rl#**m{+Xy@sDRSZ$>sS%y(b=Rn6eX{();!^n$JYhi7%z za6Xs^TxHjHt#|5`sNcZZ*pkv&%kq^fSsLa}crR==C976ucjuGuk1XUK#@tm}JxQf< zy5X}RhUHx+vS011a-EzOifUpN}mqzD#$y%B=eUygZ|a1`4Qh)Z!@p`ySFjNruKkk zxwimI`1Vh`ud{j;ACFuba=9=}bL*OSHS@2#oz}Akjs)^Os7gL_QK`u0WNo0#4&Y$< zewQcdUMsVsYOaL=XH@h4&a_*bC!N#$?EPo1l%(U^yHEH6Tc1}Z&hF_s9yU>Ls#kR9 z3BGeX*G>tN<`t}XEk1Fn*UIA_b^)ue&O4wIB0X;nXr|dUMf~}lZ7R|zYj@?|{Yw@9#u_i#&kd}2JFbQ0&sqo^;|9)!14o*ki$6a8$D&5&h$qoEW%VNUOxe9`U`UX!>PZGeMH%rox1|CNy_;>tZq z<))+NR@0L|m5g|AE{PGGm_9YApSfbgzuo0WjvIF^(w(ewbK(;-ua%WwEwvdEUO&F1 zHObp0WuoD;kHAHTS1%nrdo?QGyJ+<;8NUu4t*WWT?>v*wBwx+i`mp_h#*52Q?_EBz zeoe1Z+q7|mmeOhuJ+X<$4;$3vBqS_&U0Dp;>;POvNX#NHI;r#t{b&Dsq0!`H%&IGa Q$JsD=y85}Sb4q9e0L7@B`2YX_ From c6a8353c01e47b049abf982ef9980069fce84e02 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 14:47:52 +0100 Subject: [PATCH 133/168] more linting; fails locally despite same paths as in airrflow, but maybe it works online? --- nextflow.config | 8 ++++---- nextflow_schema.json | 7 ++++--- 2 files changed, 8 insertions(+), 7 deletions(-) diff --git a/nextflow.config b/nextflow.config index 397ac711..6f43c825 100644 --- a/nextflow.config +++ b/nextflow.config @@ -22,10 +22,10 @@ params { sizefactors_from_controls = false // Reporting - logo_file = "${projectDir}/docs/images/nf-core-differentialabundance_logo_light.png" - css_file = "${projectDir}/assets/nf-core_style.css" - citations_file = "${projectDir}/CITATIONS.md" - report_file = "${projectDir}/assets/differentialabundance_report.Rmd" + logo_file = "$projectDir/docs/images/nf-core-differentialabundance_logo_light.png" + css_file = "$projectDir/assets/nf-core_style.css" + citations_file = "$projectDir/CITATIONS.md" + report_file = "$projectDir/assets/differentialabundance_report.Rmd" report_title = null report_author = null report_contributors = null diff --git a/nextflow_schema.json b/nextflow_schema.json index 6ca8cc9b..2f261a2c 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1011,6 +1011,7 @@ "properties": { "report_file": { "type": "string", + "default": "${projectDir}/assets/differentialabundance_report.Rmd", "description": "Rmd report template from which to create the pipeline report", "help_text": "The pipeline will always generate a default report which gives a good overview of the analysis results. Should this default report not suit your needs, you can provide the path to a custom report instead.", "format": "file-path", @@ -1026,19 +1027,19 @@ }, "logo_file": { "type": "string", - "default": "docs/images/nf-core-differentialabundance_logo_light.png", + "default": "${projectDir}/docs/images/nf-core-differentialabundance_logo_light.png", "description": "A logo to display in the report instead of the generic pipeline logo", "fa_icon": "far fa-font-awesome-logo-full" }, "css_file": { "type": "string", - "default": "assets/nf-core_style.css", + "default": "${projectDir}/assets/nf-core_style.css", "description": "CSS to use to style the output, in lieu of the default nf-core styling", "fa_icon": "far fa-file-code" }, "citations_file": { "type": "string", - "default": "CITATIONS.md", + "default": "${projectDir}/CITATIONS.md", "description": "A markdown file containing citations to include in the fiinal report", "fa_icon": "fas fa-ad" }, From 158cc1c0eeb5fc8f061d46d88ad634a219e35f3f Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 14:58:50 +0100 Subject: [PATCH 134/168] Added file params with defaults to linting ignore list as they are not properly linted (see https://nfcore.slack.com/archives/CE5LG7WMB/p1706797483231359) --- .nf-core.yml | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/.nf-core.yml b/.nf-core.yml index 3805dc81..e7981711 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -1 +1,8 @@ repository_type: pipeline +lint: + nextflow_config: + - config_defaults: + - params.logo_file + - params.css_file + - params.citations_file + - params.report_file From 242cf968d97b36ebe47391c5fc4c0bc3e31346dd Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 15:03:30 +0100 Subject: [PATCH 135/168] checked out dev logos as the nf-core lint --fix files_unchanged command messed them up --- ...-core-differentialabundance_logo_light.png | Bin 71023 -> 71588 bytes ...f-core-differentialabundance_logo_dark.png | Bin 21163 -> 21494 bytes 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zpOt=fo01XtOO`9;YpXohiA{880IqV`$^N$V%*B20-#1+mObX0>GkHSX^`iaz-Wwge z(_6xtuA#AHf3TQg(YBje6(_>$R!dZ6>5H-)35C2_}s_d8cqc6|GK^LtFriqA1?B$CY6+8ytGHglm(v~-|`$g}9|^3B)Y zMf~2NaW&l?-WuonCVXq3XeHNY_W3{KoL%R>OFERP1CL5!@O1Ta JS?83{1OP`;?v?-m From 088b0f9cce70d112fa03f0fb7987f934ce11e353 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 27 Mar 2024 15:05:34 +0100 Subject: [PATCH 136/168] prettier --- .nf-core.yml | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/.nf-core.yml b/.nf-core.yml index e7981711..d2cda970 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -2,7 +2,7 @@ repository_type: pipeline lint: nextflow_config: - config_defaults: - - params.logo_file - - params.css_file - - params.citations_file - - params.report_file + - params.logo_file + - params.css_file + - params.citations_file + - params.report_file From b25f1fc7fa19a8630243ac48249ad6df6ef5a66a Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Mon, 8 Apr 2024 09:09:17 +0200 Subject: [PATCH 137/168] Update docs/usage.md Co-authored-by: Jonathan Manning --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index 10c7be50..3085ceb4 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -25,7 +25,7 @@ With the above in mind, running this workflow requires: This may well be the same sample sheet used to generate the input matrix. For example, in RNA-seq this might be the same sample sheet, perhaps derived from [fetchngs](https://github.com/nf-core/fetchngs), that was input to the [RNA-seq workflow](https://github.com/nf-core/rnaseq). It may be necessary to add columns that describe the groups you want to compare. The columns that the pipeline requires are: -- a column listing the sample IDs (must be the same IDs as in the abundance matrix); in the example below it is called sample. For some study_types, this column might need to be filled in with file names, e.g. when doing an affymetrix analysis +- a column listing the sample IDs (must be the same IDs as in the abundance matrix), in the example below it is called 'sample'. For some study_types, this column might need to be filled in with file names, e.g. when doing an affymetrix analysis. - one or more columns describing conditions for the differential analysis; in the example below it is called condition - optionally one or more columns describing sample batches or similar which you want to be considered in the analysis; in the example below it is called batch. From 3d0f1c231001385882a527cd29c80dcdd6da7f06 Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Mon, 8 Apr 2024 09:09:26 +0200 Subject: [PATCH 138/168] Update docs/usage.md Co-authored-by: Jonathan Manning --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index 3085ceb4..ed908372 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -26,7 +26,7 @@ With the above in mind, running this workflow requires: This may well be the same sample sheet used to generate the input matrix. For example, in RNA-seq this might be the same sample sheet, perhaps derived from [fetchngs](https://github.com/nf-core/fetchngs), that was input to the [RNA-seq workflow](https://github.com/nf-core/rnaseq). It may be necessary to add columns that describe the groups you want to compare. The columns that the pipeline requires are: - a column listing the sample IDs (must be the same IDs as in the abundance matrix), in the example below it is called 'sample'. For some study_types, this column might need to be filled in with file names, e.g. when doing an affymetrix analysis. -- one or more columns describing conditions for the differential analysis; in the example below it is called condition +- one or more columns describing conditions for the differential analysis. In the example below it is called 'condition' - optionally one or more columns describing sample batches or similar which you want to be considered in the analysis; in the example below it is called batch. For example: From 04ae35d4ae51ad31b832c4a76e8cdc86078f9ec9 Mon Sep 17 00:00:00 2001 From: WackerO <43847497+WackerO@users.noreply.github.com> Date: Mon, 8 Apr 2024 09:09:34 +0200 Subject: [PATCH 139/168] Update docs/usage.md Co-authored-by: Jonathan Manning --- docs/usage.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.md b/docs/usage.md index ed908372..9c56cc56 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -27,7 +27,7 @@ This may well be the same sample sheet used to generate the input matrix. For ex - a column listing the sample IDs (must be the same IDs as in the abundance matrix), in the example below it is called 'sample'. For some study_types, this column might need to be filled in with file names, e.g. when doing an affymetrix analysis. - one or more columns describing conditions for the differential analysis. In the example below it is called 'condition' -- optionally one or more columns describing sample batches or similar which you want to be considered in the analysis; in the example below it is called batch. +- optionally one or more columns describing sample batches or similar which you want to be considered in the analysis. In the example below it is called 'batch' For example: From fb2681fc74c31203706f907de0ba6f60adeff2a0 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 9 Apr 2024 15:59:29 +0100 Subject: [PATCH 140/168] Bump gtf2featureannotation --- modules.json | 2 +- .../gtf2featureannotation/environment.yml | 3 ++- .../gtf2featureannotation/main.nf | 25 +++++++++++++++---- .../gtf2featureannotation/meta.yml | 3 ++- 4 files changed, 25 insertions(+), 8 deletions(-) diff --git a/modules.json b/modules.json index 3db949bc..594f3b6a 100644 --- a/modules.json +++ b/modules.json @@ -12,7 +12,7 @@ }, "atlasgeneannotationmanipulation/gtf2featureannotation": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "04bc484c987b523ea5420ed6bbc1fdc6d8aef751", "installed_by": ["modules"] }, "custom/matrixfilter": { diff --git a/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/environment.yml b/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/environment.yml index 67ae588e..3a613e61 100644 --- a/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/environment.yml +++ b/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/environment.yml @@ -1,6 +1,7 @@ +name: atlasgeneannotationmanipulation_gtf2featureannotation channels: - conda-forge - bioconda - defaults dependencies: - - bioconda::atlas-gene-annotation-manipulation=1.1.0 + - bioconda::atlas-gene-annotation-manipulation=1.1.1 diff --git a/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/main.nf b/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/main.nf index c71e0f7f..12208f81 100644 --- a/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/main.nf +++ b/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/main.nf @@ -2,10 +2,10 @@ process ATLASGENEANNOTATIONMANIPULATION_GTF2FEATUREANNOTATION { tag "${meta.id}" label 'process_single' - conda 'modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/atlas-gene-annotation-manipulation%3A1.1.0--hdfd78af_0': - 'biocontainers/atlas-gene-annotation-manipulation:1.1.0--hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/atlas-gene-annotation-manipulation%3A1.1.1--hdfd78af_0': + 'biocontainers/atlas-gene-annotation-manipulation:1.1.1--hdfd78af_0' }" input: tuple val(meta), path(gtf) @@ -23,6 +23,7 @@ process ATLASGENEANNOTATIONMANIPULATION_GTF2FEATUREANNOTATION { def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: meta.id def reference_cdna = fasta ? "--parse-cdnas $fasta" : "" + def VERSION = '1.1.1' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions. """ gtf2featureAnnotation.R \\ @@ -33,8 +34,22 @@ process ATLASGENEANNOTATIONMANIPULATION_GTF2FEATUREANNOTATION { cat <<-END_VERSIONS > versions.yml "${task.process}": - r-base: \$(echo \$(R --version 2>&1) | sed 's/^.*R version //; s/ .*\$//') - atlas-gene-annotation-manipulation: 1.1.0 + atlas-gene-annotation-manipulation: ${VERSION} END_VERSIONS """ + + stub: + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: meta.id + def reference_cdna = fasta ? "--parse-cdnas $fasta" : "" + def VERSION = '1.1.1' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions. + """ + touch ${meta.id}.anno.tsv + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + atlas-gene-annotation-manipulation: ${VERSION} + END_VERSIONS + """ + } diff --git a/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/meta.yml b/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/meta.yml index 10aa5366..3e34244e 100644 --- a/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/meta.yml +++ b/modules/nf-core/atlasgeneannotationmanipulation/gtf2featureannotation/meta.yml @@ -2,6 +2,7 @@ name: "atlasgeneannotationmanipulation_gtf2featureannotation" description: Generate tables of feature metadata from GTF files keywords: - gtf + - gene - annotation tools: - "atlasgeneannotationmanipulation": @@ -9,7 +10,7 @@ tools: homepage: "https://github.com/ebi-gene-expression-group/atlas-gene-annotation-manipulation" documentation: "https://github.com/ebi-gene-expression-group/atlas-gene-annotation-manipulation" tool_dev_url: "https://github.com/ebi-gene-expression-group/atlas-gene-annotation-manipulation" - licence: "['Apache-2.0']" + licence: ["Apache-2.0"] input: - meta: type: map From 02a565680a68bffd681de670a2dc28d9a8f14127 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 9 Apr 2024 16:02:09 +0100 Subject: [PATCH 141/168] update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 7a6836ab..85370c43 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#259](https://github.com/nf-core/differentialabundance/pull/259)] - Bump gtf2featureannotation to fix GTF handling error ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#244](https://github.com/nf-core/differentialabundance/pull/244)] - Add pipeline params for matrixfilter NA options ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#241](https://github.com/nf-core/differentialabundance/pull/241)] - Template update for nf-core/tools v2.13 ([@WackerO](https://github.com/WackerO), review by [@nvnieuwk](https://github.com/nvnieuwk)) - [[#228](https://github.com/nf-core/differentialabundance/pull/228)] - Template update for nf-core/tools v2.12 ([@nf-core-bot](https://github.com/nf-core-bot), review by [@pinin4fjords](https://github.com/pinin4fjords), [@WackerO](https://github.com/WackerO)) From 74d7acb3401ad3e76aa142344bb8f6ac78efa526 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 12 Apr 2024 11:50:19 +0200 Subject: [PATCH 142/168] updated proteus module --- modules.json | 2 +- .../proteus/readproteingroups/environment.yml | 2 ++ .../nf-core/proteus/readproteingroups/main.nf | 6 +++--- .../nf-core/proteus/readproteingroups/meta.yml | 2 +- .../templates/proteus_readproteingroups.R | 18 ++++++++++++------ 5 files changed, 19 insertions(+), 11 deletions(-) diff --git a/modules.json b/modules.json index 00ef32da..ebbe09ad 100644 --- a/modules.json +++ b/modules.json @@ -62,7 +62,7 @@ }, "proteus/readproteingroups": { "branch": "master", - "git_sha": "516189e968feb4ebdd9921806988b4c12b4ac2dc", + "git_sha": "a069b29783583c219c1f23ed3dcf64a5aee1340b", "installed_by": ["modules"] }, "rmarkdownnotebook": { diff --git a/modules/nf-core/proteus/readproteingroups/environment.yml b/modules/nf-core/proteus/readproteingroups/environment.yml index bd44f38d..3ac338bc 100644 --- a/modules/nf-core/proteus/readproteingroups/environment.yml +++ b/modules/nf-core/proteus/readproteingroups/environment.yml @@ -1,3 +1,4 @@ +name: proteus_readproteingroups channels: - conda-forge - bioconda @@ -7,3 +8,4 @@ dependencies: - bioconda::r-proteus-bartongroup=0.2.16 - conda-forge::r-plotly=4.10.2 - bioconda::bioconductor-limma=3.54.0 + - conda-forge::r-ggplot2=3.4.4 diff --git a/modules/nf-core/proteus/readproteingroups/main.nf b/modules/nf-core/proteus/readproteingroups/main.nf index 34837410..d8e7c8a8 100644 --- a/modules/nf-core/proteus/readproteingroups/main.nf +++ b/modules/nf-core/proteus/readproteingroups/main.nf @@ -2,10 +2,10 @@ process PROTEUS_READPROTEINGROUPS { tag "$meta.id" label 'process_single' - conda 'modules/nf-core/proteus/readproteingroups/environment.yml' + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/mulled-v2-4e01206f2c47f56077f04e5d2d7b312f50513a1e:92abccefbeb09795ad6a93553b62a6ad3daaea48-0': - 'biocontainers/mulled-v2-4e01206f2c47f56077f04e5d2d7b312f50513a1e:92abccefbeb09795ad6a93553b62a6ad3daaea48-0' }" + 'https://depot.galaxyproject.org/singularity/mulled-v2-503e259d7d34ce533ce66c4c8871af4ab409db6d:1e504ef71c83943061a39b6260d826b988bfa56f-0': + 'biocontainers/mulled-v2-503e259d7d34ce533ce66c4c8871af4ab409db6d:1e504ef71c83943061a39b6260d826b988bfa56f-0' }" input: tuple val(meta), path(samplesheet), path(intensities) diff --git a/modules/nf-core/proteus/readproteingroups/meta.yml b/modules/nf-core/proteus/readproteingroups/meta.yml index 8034770a..4e67cf0c 100644 --- a/modules/nf-core/proteus/readproteingroups/meta.yml +++ b/modules/nf-core/proteus/readproteingroups/meta.yml @@ -11,7 +11,7 @@ tools: documentation: "https://rdrr.io/github/bartongroup/Proteus/" tool_dev_url: "https://github.com/bartongroup/Proteus" doi: "10.1101/416511" - licence: "['GPL v2']" + licence: ["GPL v2"] input: - meta: type: map diff --git a/modules/nf-core/proteus/readproteingroups/templates/proteus_readproteingroups.R b/modules/nf-core/proteus/readproteingroups/templates/proteus_readproteingroups.R index 5806971d..f1321714 100644 --- a/modules/nf-core/proteus/readproteingroups/templates/proteus_readproteingroups.R +++ b/modules/nf-core/proteus/readproteingroups/templates/proteus_readproteingroups.R @@ -54,10 +54,11 @@ parse_args <- function(x) { #' @param file Input file #' @param header Passed to read.delim() #' @param row.names Passed to read.delim() +#' @param nrows Passed to read.delim() #' #' @return output Data frame -read_delim_flexible <- function(file, header = TRUE, row.names = NULL, check.names = F) { +read_delim_flexible <- function(file, header = TRUE, row.names = NULL, check.names = F, nrows = -1) { ext <- tolower(tail(strsplit(basename(file), split = "\\\\.")[[1]], 1)) @@ -74,7 +75,8 @@ read_delim_flexible <- function(file, header = TRUE, row.names = NULL, check.nam sep = separator, header = header, row.names = row.names, - check.names = check.names + check.names = check.names, + nrows = nrows ) } @@ -192,7 +194,8 @@ library(proteus) intensities.table <- read_delim_flexible( file = opt\$intensities_file, - check.names = FALSE + check.names = FALSE, + nrows = 1 # Here, we are only interested in the header of the table ) sample.sheet <- @@ -218,16 +221,19 @@ sample.sheet\$condition <- sample.sheet[[opt\$contrast_variable]] measure.cols <- setNames(paste0(opt\$measure_col_prefix, sample.sheet[[opt\$sample_id_col]]), sample.sheet[[opt\$sample_id_col]]) +if (!any(measure.cols %in% colnames(intensities.table))) { + measure.cols <- setNames(paste0(paste0(opt\$measure_col_prefix, " "), sample.sheet[[opt\$sample_id_col]]), sample.sheet[[opt\$sample_id_col]]) +} + # Check that all samples specified in the input sheet are present in the intensities table -missing_columns <- paste0(opt\$measure_col_prefix, sample.sheet[[opt\$sample_id_col]]) -missing_columns <- missing_columns[!missing_columns %in% colnames(intensities.table)] +missing_columns <- measure.cols[!measure.cols %in% colnames(intensities.table)] if (length(missing_columns) > 0) { stop(paste( length(missing_columns), 'specified samples do not have a(n)', opt\$measure_col_prefix, - 'column in intensities table. The following columns are missing:', + 'column in intensities table (tried prefix both with and without adding a whitespace), please check the value of parameter --measure_col_prefix. The following columns are missing:', paste(missing_columns, collapse = ', ') )) } From cab1c0133322d82437341aa3e819c6571eb2c5d6 Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 19 Apr 2024 17:17:19 +0200 Subject: [PATCH 143/168] Fixed filter_difftable module not properly filtering (had to switch to python); undid the changes to the docs/defaults for --proteus_measurecol_prefix regarding the final space --- conf/maxquant.config | 2 +- docs/usage.md | 2 +- modules/local/filter_difftable.nf | 50 ++++++++++++------------------ nextflow.config | 2 +- nextflow_schema.json | 6 ++-- workflows/differentialabundance.nf | 2 +- 6 files changed, 27 insertions(+), 37 deletions(-) diff --git a/conf/maxquant.config b/conf/maxquant.config index 768b48a9..57caf2d4 100644 --- a/conf/maxquant.config +++ b/conf/maxquant.config @@ -38,7 +38,7 @@ params { differential_feature_name_column = "Majority protein IDs" // Proteus options - proteus_measurecol_prefix = 'LFQ intensity_s' + proteus_measurecol_prefix = 'LFQ intensity' // Shiny does not work for this datatype shinyngs_build_app = false diff --git a/docs/usage.md b/docs/usage.md index 9c56cc56..d474d611 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -100,7 +100,7 @@ So we **do not recommend** raw counts files such as `salmon.merged.gene_counts.t --matrix '[path to matrix file]' ``` -This is the proteinGroups.txt file produced by MaxQuant. It is a tab-separated matrix file with a column for every observation (plus additional columns for other types of measurements and information); each row contains these data for a set of proteins. The parameters `--observations_id_col` and `--features_id_col` define which of the associated fields should be matched in those inputs. The parameter `--proteus_measurecol_prefix` defines which prefix is used to extract those matrix columns which contain the measurements to be used. For example, the default `LFQ intensity_s` will indicate that columns like LFQ intensity S1, LFQ intensity S2, LFQ intensity S3 etc. are used (\_s at the end of the prefix indicates a whitespace; please write any whitespaces in the middle of the prefix normally). +This is the proteinGroups.txt file produced by MaxQuant. It is a tab-separated matrix file with a column for every observation (plus additional columns for other types of measurements and information); each row contains these data for a set of proteins. The parameters `--observations_id_col` and `--features_id_col` define which of the associated fields should be matched in those inputs. The parameter `--proteus_measurecol_prefix` defines which prefix is used to extract those matrix columns which contain the measurements to be used. For example, the default `LFQ intensity ` will indicate that columns like LFQ intensity S1, LFQ intensity S2, LFQ intensity S3 etc. are used (one whitespace is automatically added if necessary). ### Affymetrix microarrays diff --git a/modules/local/filter_difftable.nf b/modules/local/filter_difftable.nf index c8d6c5f9..7c7ce564 100644 --- a/modules/local/filter_difftable.nf +++ b/modules/local/filter_difftable.nf @@ -2,10 +2,10 @@ process FILTER_DIFFTABLE { label 'process_single' - conda "conda-forge::gawk=5.1.0" + conda "pandas=1.5.2" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/gawk:5.1.0' : - 'biocontainers/gawk:5.1.0' }" + 'https://depot.galaxyproject.org/singularity/pandas:1.5.2' : + 'biocontainers/pandas:1.5.2' }" input: tuple val(meta), path(input_file) @@ -20,42 +20,32 @@ process FILTER_DIFFTABLE { task.ext.when == null || task.ext.when script: - def VERSION = '9.1' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions. """ - output_file=\$(echo $input_file | sed 's/\\(.*\\)\\..*/\\1/')_filtered.tsv + #!/usr/bin/env python - # Function to find column number - find_column_number() { - awk -v column="\$2" '{for(i=1;i<=NF;i++) if (\$i == column) {print i; exit}}' <<< "\$(head -n 1 "\$1")" - } + from os import path + import pandas as pd + import platform + from sys import exit - # Extract column numbers - logFC_col=\$(find_column_number "$input_file" "log2FoldChange") - padj_col=\$(find_column_number "$input_file" "padj") - - # Prepare the output file - head -n 1 "$input_file" > "\${output_file}.tmp" - - # The following snippet performs the following checks on each row (add +0.0 to the numbers so that they are definitely treated as numerics): - # # 1. Check that the current logFC/padj is not NA # 2. Check that the current logFC is >= threshold (abs does not work, so use a workaround) # 3. Check that the current padj is <= threshold - # # If this is true, the row is written to the new file, otherwise not + if not any("$input_file".endswith(ext) for ext in [".csv", ".tsv", ".txt"]): + exit("Please provide a .csv, .tsv or .txt file!") - awk -F'\\t' -v logFC_col="\$logFC_col" -v padj_col="\$padj_col" -v logFC_thresh="$logFC_threshold" -v padj_thresh="$padj_threshold" ' - NR > 1 && \$logFC_col != "NA" && \$padj_col != "NA" && - ((\$logFC_col+0.0 >= logFC_thresh+0.0) || (-\$logFC_col+0.0 >= logFC_thresh+0.0)) && - \$padj_col+0.0 <= padj_thresh+0.0 { print } - ' "$input_file" >> "\${output_file}.tmp" + table = pd.read_csv("$input_file", sep=("," if "$input_file".endswith(".csv") else "\t"), header=0) + table = table[~table["$logFC_column"].isna() & + ~table["$padj_column"].isna() & + (pd.to_numeric(table["$logFC_column"], errors='coerce').abs() >= float("$logFC_threshold")) & + (pd.to_numeric(table["$padj_column"], errors='coerce') <= float("$padj_threshold"))] - # Rename temporary file to final output file - mv "\${output_file}.tmp" "\$output_file" + table.to_csv(path.splitext(path.basename("$input_file"))[0]+"_filtered.tsv", sep="\t", index=False) - cat <<-END_VERSIONS > versions.yml - "${task.process}": - bash: \$(echo \$(bash --version | grep -Eo 'version [[:alnum:].]+' | sed 's/version //')) - END_VERSIONS + with open('versions.yml', 'a') as version_file: + version_file.write('"${task.process}":' + "\\n") + version_file.write(" python: " + (platform.python_version()) + "\\n") + version_file.write(" pandas: " + str(pd.__version__) + "\\n") """ } diff --git a/nextflow.config b/nextflow.config index 6f43c825..abb083f8 100644 --- a/nextflow.config +++ b/nextflow.config @@ -63,7 +63,7 @@ params { affy_build_annotation = true // Proteus-specific options - proteus_measurecol_prefix = 'LFQ intensity_s' + proteus_measurecol_prefix = 'LFQ intensity' proteus_norm_function = 'normalizeMedian' proteus_plotsd_method = 'violin' proteus_plotmv_loess = true diff --git a/nextflow_schema.json b/nextflow_schema.json index 2f261a2c..f131c166 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -268,9 +268,9 @@ "properties": { "proteus_measurecol_prefix": { "type": "string", - "default": "LFQ intensity_s", - "description": "Prefix of the column names of the MaxQuant proteingroups table in which the intensity values are saved; the prefix has to be followed by the sample names that are also found in the samplesheet. Default: 'LFQ intensity_s'.", - "help_text": "If the sample columns are e.g. called 'LFQ intensity sample1', 'LFQ intensity sample2' etc., please set this parameter to 'LFQ intensity_s', the pipeline will replace the _s at the end (and only at the end) with a whitespace (using an actual whitespace might cause an error instead)." + "default": "LFQ intensity", + "description": "Prefix of the column names of the MaxQuant proteingroups table in which the intensity values are saved; the prefix has to be followed by the sample names that are also found in the samplesheet. Default: 'LFQ intensity'; will search for both the prefix as entered and the prefix followed by one whitespace.", + "help_text": "If the sample columns are e.g. called 'LFQ intensity sample1', 'LFQ intensity sample2' etc., please set this parameter to 'LFQ intensity'." }, "proteus_norm_function": { "type": "string", diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 020c0747..64919bc0 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -400,7 +400,7 @@ workflow DIFFERENTIALABUNDANCE { } // We'll use a local module to filter the differential tables and create output files that contain only differential features - ch_logfc = Channel.value([ params.differential_fc_column, params.differential_min_fold_change ]) + ch_logfc = Channel.value([ params.differential_fc_column, Math.log(params.differential_min_fold_change)/Math.log(2) ]) ch_padj = Channel.value([ params.differential_qval_column, params.differential_max_qval ]) FILTER_DIFFTABLE( From f1afb24ef1d77705a14a311809df530b8025651c Mon Sep 17 00:00:00 2001 From: WackerO Date: Fri, 19 Apr 2024 17:20:51 +0200 Subject: [PATCH 144/168] Updated changelog --- CHANGELOG.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 96e54174..f472647b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -8,6 +8,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` - [[#259](https://github.com/nf-core/differentialabundance/pull/259)] - Bump gtf2featureannotation to fix GTF handling error ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) +- [[#257](https://github.com/nf-core/differentialabundance/pull/257)] - Added maxquant profile to nextflow.config to make it available ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#254](https://github.com/nf-core/differentialabundance/pull/254)] - Some parameter changes, added qbic credits ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#250](https://github.com/nf-core/differentialabundance/pull/250)] - Template update for nf-core/tools v2.13.1 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#244](https://github.com/nf-core/differentialabundance/pull/244)] - Add pipeline params for matrixfilter NA options ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) @@ -19,6 +20,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#257](https://github.com/nf-core/differentialabundance/pull/257)] - Fixed FILTER_DIFFTABLE module, updated PROTEUS module to better handle whitespace in prefix param, made docs clearer ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#254](https://github.com/nf-core/differentialabundance/pull/254)] - Made differential_file_suffix optional ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#240](https://github.com/nf-core/differentialabundance/pull/240)] - Publish GSEA reports ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#231](https://github.com/nf-core/differentialabundance/pull/231)] - Update GSEA module to fix butterfly plot bug ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) From dac77c94de3279493f14a5eb39233cff423edc81 Mon Sep 17 00:00:00 2001 From: WackerO Date: Mon, 22 Apr 2024 09:32:25 +0200 Subject: [PATCH 145/168] linting --- modules/local/filter_difftable.nf | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/modules/local/filter_difftable.nf b/modules/local/filter_difftable.nf index 7c7ce564..cde7f9ed 100644 --- a/modules/local/filter_difftable.nf +++ b/modules/local/filter_difftable.nf @@ -37,9 +37,9 @@ process FILTER_DIFFTABLE { table = pd.read_csv("$input_file", sep=("," if "$input_file".endswith(".csv") else "\t"), header=0) table = table[~table["$logFC_column"].isna() & - ~table["$padj_column"].isna() & - (pd.to_numeric(table["$logFC_column"], errors='coerce').abs() >= float("$logFC_threshold")) & - (pd.to_numeric(table["$padj_column"], errors='coerce') <= float("$padj_threshold"))] + ~table["$padj_column"].isna() & + (pd.to_numeric(table["$logFC_column"], errors='coerce').abs() >= float("$logFC_threshold")) & + (pd.to_numeric(table["$padj_column"], errors='coerce') <= float("$padj_threshold"))] table.to_csv(path.splitext(path.basename("$input_file"))[0]+"_filtered.tsv", sep="\t", index=False) From 8750d89260f297f2995ea0c0d9b51eedbd4ca75e Mon Sep 17 00:00:00 2001 From: WackerO Date: Mon, 22 Apr 2024 13:03:28 +0200 Subject: [PATCH 146/168] moved log2 from workflow into filter module --- conf/modules.config | 2 +- modules/local/filter_difftable.nf | 6 ++++-- workflows/differentialabundance.nf | 2 +- 3 files changed, 6 insertions(+), 4 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index 3d4810b2..5fbb5421 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -126,7 +126,7 @@ process { "--contrast_variable \"${meta.id}\"", "--sample_id_col \"${params.observations_id_col}\"", "--protein_id_col \"${params.features_id_col}\"", - "--measure_col_prefix \"${params.proteus_measurecol_prefix}\"".replaceAll(~/_s\b/, ' '), + "--measure_col_prefix \"${params.proteus_measurecol_prefix}\"", "--norm_function $params.proteus_norm_function", "--plotsd_method $params.proteus_plotsd_method", "--plotmv_loess $params.proteus_plotmv_loess", diff --git a/modules/local/filter_difftable.nf b/modules/local/filter_difftable.nf index cde7f9ed..52b19978 100644 --- a/modules/local/filter_difftable.nf +++ b/modules/local/filter_difftable.nf @@ -9,7 +9,7 @@ process FILTER_DIFFTABLE { input: tuple val(meta), path(input_file) - tuple val(logFC_column), val(logFC_threshold) + tuple val(logFC_column), val(FC_threshold) tuple val(padj_column), val(padj_threshold) output: @@ -23,6 +23,7 @@ process FILTER_DIFFTABLE { """ #!/usr/bin/env python + from math import log2 from os import path import pandas as pd import platform @@ -36,9 +37,10 @@ process FILTER_DIFFTABLE { exit("Please provide a .csv, .tsv or .txt file!") table = pd.read_csv("$input_file", sep=("," if "$input_file".endswith(".csv") else "\t"), header=0) + logFC_threshold = log2(float("$FC_threshold")) table = table[~table["$logFC_column"].isna() & ~table["$padj_column"].isna() & - (pd.to_numeric(table["$logFC_column"], errors='coerce').abs() >= float("$logFC_threshold")) & + (pd.to_numeric(table["$logFC_column"], errors='coerce').abs() >= float(logFC_threshold)) & (pd.to_numeric(table["$padj_column"], errors='coerce') <= float("$padj_threshold"))] table.to_csv(path.splitext(path.basename("$input_file"))[0]+"_filtered.tsv", sep="\t", index=False) diff --git a/workflows/differentialabundance.nf b/workflows/differentialabundance.nf index 64919bc0..020c0747 100644 --- a/workflows/differentialabundance.nf +++ b/workflows/differentialabundance.nf @@ -400,7 +400,7 @@ workflow DIFFERENTIALABUNDANCE { } // We'll use a local module to filter the differential tables and create output files that contain only differential features - ch_logfc = Channel.value([ params.differential_fc_column, Math.log(params.differential_min_fold_change)/Math.log(2) ]) + ch_logfc = Channel.value([ params.differential_fc_column, params.differential_min_fold_change ]) ch_padj = Channel.value([ params.differential_qval_column, params.differential_max_qval ]) FILTER_DIFFTABLE( From 23a827016f2ac7ec71db78fab10f8b76c1aab7ce Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 23 Apr 2024 10:26:46 +0200 Subject: [PATCH 147/168] changed filter_difftable to python --- modules/local/filter_difftable.nf | 60 ++++++++++++++----------------- 1 file changed, 26 insertions(+), 34 deletions(-) diff --git a/modules/local/filter_difftable.nf b/modules/local/filter_difftable.nf index c8d6c5f9..52b19978 100644 --- a/modules/local/filter_difftable.nf +++ b/modules/local/filter_difftable.nf @@ -2,14 +2,14 @@ process FILTER_DIFFTABLE { label 'process_single' - conda "conda-forge::gawk=5.1.0" + conda "pandas=1.5.2" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/gawk:5.1.0' : - 'biocontainers/gawk:5.1.0' }" + 'https://depot.galaxyproject.org/singularity/pandas:1.5.2' : + 'biocontainers/pandas:1.5.2' }" input: tuple val(meta), path(input_file) - tuple val(logFC_column), val(logFC_threshold) + tuple val(logFC_column), val(FC_threshold) tuple val(padj_column), val(padj_threshold) output: @@ -20,42 +20,34 @@ process FILTER_DIFFTABLE { task.ext.when == null || task.ext.when script: - def VERSION = '9.1' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions. """ - output_file=\$(echo $input_file | sed 's/\\(.*\\)\\..*/\\1/')_filtered.tsv + #!/usr/bin/env python - # Function to find column number - find_column_number() { - awk -v column="\$2" '{for(i=1;i<=NF;i++) if (\$i == column) {print i; exit}}' <<< "\$(head -n 1 "\$1")" - } + from math import log2 + from os import path + import pandas as pd + import platform + from sys import exit - # Extract column numbers - logFC_col=\$(find_column_number "$input_file" "log2FoldChange") - padj_col=\$(find_column_number "$input_file" "padj") - - # Prepare the output file - head -n 1 "$input_file" > "\${output_file}.tmp" - - # The following snippet performs the following checks on each row (add +0.0 to the numbers so that they are definitely treated as numerics): - # # 1. Check that the current logFC/padj is not NA # 2. Check that the current logFC is >= threshold (abs does not work, so use a workaround) # 3. Check that the current padj is <= threshold - # # If this is true, the row is written to the new file, otherwise not - - awk -F'\\t' -v logFC_col="\$logFC_col" -v padj_col="\$padj_col" -v logFC_thresh="$logFC_threshold" -v padj_thresh="$padj_threshold" ' - NR > 1 && \$logFC_col != "NA" && \$padj_col != "NA" && - ((\$logFC_col+0.0 >= logFC_thresh+0.0) || (-\$logFC_col+0.0 >= logFC_thresh+0.0)) && - \$padj_col+0.0 <= padj_thresh+0.0 { print } - ' "$input_file" >> "\${output_file}.tmp" - - # Rename temporary file to final output file - mv "\${output_file}.tmp" "\$output_file" - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - bash: \$(echo \$(bash --version | grep -Eo 'version [[:alnum:].]+' | sed 's/version //')) - END_VERSIONS + if not any("$input_file".endswith(ext) for ext in [".csv", ".tsv", ".txt"]): + exit("Please provide a .csv, .tsv or .txt file!") + + table = pd.read_csv("$input_file", sep=("," if "$input_file".endswith(".csv") else "\t"), header=0) + logFC_threshold = log2(float("$FC_threshold")) + table = table[~table["$logFC_column"].isna() & + ~table["$padj_column"].isna() & + (pd.to_numeric(table["$logFC_column"], errors='coerce').abs() >= float(logFC_threshold)) & + (pd.to_numeric(table["$padj_column"], errors='coerce') <= float("$padj_threshold"))] + + table.to_csv(path.splitext(path.basename("$input_file"))[0]+"_filtered.tsv", sep="\t", index=False) + + with open('versions.yml', 'a') as version_file: + version_file.write('"${task.process}":' + "\\n") + version_file.write(" python: " + (platform.python_version()) + "\\n") + version_file.write(" pandas: " + str(pd.__version__) + "\\n") """ } From a9a7847bb0de7985edf3cb51cc6aa501a3789552 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 23 Apr 2024 10:28:34 +0200 Subject: [PATCH 148/168] update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 96e54174..51843fa7 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -31,6 +31,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` +- [[#260](https://github.com/nf-core/differentialabundance/pull/260)] - Change FILTER_DIFFTABLE to python because AWK does not correctly filter reliablys ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#232](https://github.com/nf-core/differentialabundance/pull/232)] - Mention missing dots in volcano plot, change rounding, turn off rounding by default ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) ## v1.4.0 - 2023-11-27 From 456cb35b911c26a1514a3d250afcedd91c81d5fe Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 23 Apr 2024 10:36:07 +0200 Subject: [PATCH 149/168] fixed PR number in changelog --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 51843fa7..668ad774 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -31,7 +31,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` -- [[#260](https://github.com/nf-core/differentialabundance/pull/260)] - Change FILTER_DIFFTABLE to python because AWK does not correctly filter reliablys ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#264](https://github.com/nf-core/differentialabundance/pull/264)] - Change FILTER_DIFFTABLE to python because AWK does not correctly filter reliablys ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#232](https://github.com/nf-core/differentialabundance/pull/232)] - Mention missing dots in volcano plot, change rounding, turn off rounding by default ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) ## v1.4.0 - 2023-11-27 From b379fef75d01a0af30e3ee58d927da575e360347 Mon Sep 17 00:00:00 2001 From: WackerO Date: Tue, 23 Apr 2024 10:41:04 +0200 Subject: [PATCH 150/168] change nf-core.yml to fix linting --- .nf-core.yml | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/.nf-core.yml b/.nf-core.yml index 3805dc81..d2cda970 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -1 +1,8 @@ repository_type: pipeline +lint: + nextflow_config: + - config_defaults: + - params.logo_file + - params.css_file + - params.citations_file + - params.report_file From be656d939c4d7b1ed54f13de9c4099fd47cfd35c Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 24 Apr 2024 09:13:41 +0200 Subject: [PATCH 151/168] removed writing python version --- modules/local/filter_difftable.nf | 1 - 1 file changed, 1 deletion(-) diff --git a/modules/local/filter_difftable.nf b/modules/local/filter_difftable.nf index 52b19978..da9612e3 100644 --- a/modules/local/filter_difftable.nf +++ b/modules/local/filter_difftable.nf @@ -47,7 +47,6 @@ process FILTER_DIFFTABLE { with open('versions.yml', 'a') as version_file: version_file.write('"${task.process}":' + "\\n") - version_file.write(" python: " + (platform.python_version()) + "\\n") version_file.write(" pandas: " + str(pd.__version__) + "\\n") """ } From d6f50cb15025b3a643eda97c87b07136ad7cfac2 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 24 Apr 2024 11:46:41 +0200 Subject: [PATCH 152/168] fix typo --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 668ad774..c7629657 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -31,7 +31,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` -- [[#264](https://github.com/nf-core/differentialabundance/pull/264)] - Change FILTER_DIFFTABLE to python because AWK does not correctly filter reliablys ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#264](https://github.com/nf-core/differentialabundance/pull/264)] - Change FILTER_DIFFTABLE to python because AWK does not correctly filter reliably ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#232](https://github.com/nf-core/differentialabundance/pull/232)] - Mention missing dots in volcano plot, change rounding, turn off rounding by default ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) ## v1.4.0 - 2023-11-27 From 52cb0bb35c27942a1bf48af93f61ff04981304c8 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 30 Apr 2024 08:57:32 +0100 Subject: [PATCH 153/168] GSEA- pngs and htmls in same place --- conf/modules.config | 7 +------ 1 file changed, 1 insertion(+), 6 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index 5fbb5421..e04e35e0 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -299,15 +299,10 @@ process { mode: params.publish_dir_mode, pattern: '*gsea_report_for_*.tsv' ], - [ - path: { "${params.outdir}/plots/gsea/${meta.id}/${gene_sets.baseName}" }, - mode: params.publish_dir_mode, - pattern: '*.png' - ], [ path: { "${params.outdir}/html/gsea/${meta.id}/${gene_sets.baseName}" }, mode: params.publish_dir_mode, - pattern: '*.{html,zip}' + pattern: '*.{html,zip,png}' ] ] ext.args = { [ From 856213754bd224bf1577864d5109705144b7f5ce Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 30 Apr 2024 09:00:34 +0100 Subject: [PATCH 154/168] Update CHANGELOG.md --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 6b919ecc..dd44453b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -20,6 +20,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#265](https://github.com/nf-core/differentialabundance/pull/265) - GSEA- pngs and htmls in same place ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#257](https://github.com/nf-core/differentialabundance/pull/257)] - Fixed FILTER_DIFFTABLE module, updated PROTEUS module to better handle whitespace in prefix param, made docs clearer ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#254](https://github.com/nf-core/differentialabundance/pull/254)] - Made differential_file_suffix optional ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#240](https://github.com/nf-core/differentialabundance/pull/240)] - Publish GSEA reports ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) From ad437d197ce46bfe536608588b2e8dde375f273a Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 30 Apr 2024 10:40:44 +0100 Subject: [PATCH 155/168] log2 assays are not a features thing --- assets/differentialabundance_report.Rmd | 9 +++++---- conf/modules.config | 9 ++------- nextflow.config | 2 +- nextflow_schema.json | 10 +++++----- 4 files changed, 13 insertions(+), 17 deletions(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index fa8787f1..e6e2bd8c 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -38,7 +38,7 @@ params: features_metadata_cols: NULL features_gtf_feature_type: NULL features_gtf_table_first_field: NULL - features_log2_assays: NULL + exploratory_log2_assays: NULL raw_matrix: null # e.g. 0_salmon.merged.gene_counts_length_scaled.tsv normalised_matrix: null variance_stabilised_matrix: null # e.g. test_files/3_treatment-WT-P23H.vst.tsv @@ -310,11 +310,12 @@ assay_data <- lapply(assay_files, function(x) { mat }) -if (!is.null(params$features_log2_assays)) { +log2_assays <- params$exploratory_log2_assays +if (!is.null(log2_assays)) { # Remove brackets from assay list. TODO: remove if this is added to cond_log2_transform_assays - params$features_log2_assays <- gsub('\\]$', '', gsub('^\\[', '', params$features_log2_assays)) + log2_assays <- gsub('\\]$', '', gsub('^\\[', '', log2_assays)) } -assay_data <- cond_log2_transform_assays(assay_data, params$features_log2_assays) +assay_data <- cond_log2_transform_assays(assay_data, log2_assays) # Now we can rename the observations rows using the title field rownames(observations) <- observations[[observations_name_col]] diff --git a/conf/modules.config b/conf/modules.config index 5fbb5421..27f04a6d 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -299,15 +299,10 @@ process { mode: params.publish_dir_mode, pattern: '*gsea_report_for_*.tsv' ], - [ - path: { "${params.outdir}/plots/gsea/${meta.id}/${gene_sets.baseName}" }, - mode: params.publish_dir_mode, - pattern: '*.png' - ], [ path: { "${params.outdir}/html/gsea/${meta.id}/${gene_sets.baseName}" }, mode: params.publish_dir_mode, - pattern: '*.{html,zip}' + pattern: '*.{html,zip,png}' ] ] ext.args = { [ @@ -385,7 +380,7 @@ process { "--final_assay \"${params.exploratory_final_assay}\"", "--outlier_mad_threshold ${params.exploratory_mad_threshold}", "--palette_name \"${params.exploratory_palette_name}\"", - ( (params.study_type == 'maxquant') ? "--log2_assays ''" : (((params.features_log2_assays == null) ? '' : "--log2_assays \"$params.features_log2_assays\"".replace('[', '').replace(']', ''))) ) + ( (params.study_type == 'maxquant') ? "--log2_assays ''" : (((params.exploratory_log2_assays == null) ? '' : "--log2_assays \"$params.exploratory_log2_assays\"".replace('[', '').replace(']', ''))) ) ].join(' ').trim() } } diff --git a/nextflow.config b/nextflow.config index abb083f8..739ed74c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -44,7 +44,6 @@ params { features_id_col = 'gene_id' features_name_col = 'gene_name' features_metadata_cols = 'gene_id,gene_name,gene_biotype' - features_log2_assays = null // GTF parsing options features_gtf_feature_type = 'transcript' @@ -87,6 +86,7 @@ params { exploratory_assay_names = "raw,normalised,variance_stabilised" exploratory_final_assay = "variance_stabilised" exploratory_palette_name = 'Set1' + exploratory_log2_assays = null // Differential options differential_file_suffix = null diff --git a/nextflow_schema.json b/nextflow_schema.json index f131c166..7e329647 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -190,11 +190,6 @@ "default": "gene_id", "description": "Where a GTF file is supplied, which field should go first in the converted output table", "fa_icon": "fas fa-fast-backward" - }, - "features_log2_assays": { - "type": "string", - "description": "Of which assays to compute the log2. Not necessary for maxquant data as this is controlled by the pipeline.", - "help_text": "Either comma-separated of assay positions, e.g. '[1,2,3]', or empty list '[]' to not log any assay. If not set, will guess which assays need to be logged (those with a maximum > 20)." } }, "required": ["features_id_col", "features_name_col", "features_type"], @@ -403,6 +398,11 @@ "description": "Specifies final assay to be used for exploratory analysis, platform-specific", "fa_icon": "fas fa-sort-down" }, + "exploratory_log2_assays": { + "type": "string", + "description": "Of which assays to compute the log2 during exploratory analysis. Not necessary for maxquant data as this is controlled by the pipeline.", + "help_text": "Either comma-separated of assay positions, e.g. '[1,2,3]', or empty list '[]' to not log any assay. If not set, will guess which assays need to be logged (those with a maximum > 20)." + }, "exploratory_palette_name": { "type": "string", "default": "Set1", From 8de1934f4301f53894662b53029b2b9bad51ba97 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 30 Apr 2024 10:44:53 +0100 Subject: [PATCH 156/168] All GSEA outputs in the same place --- conf/modules.config | 9 ++------- 1 file changed, 2 insertions(+), 7 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index e04e35e0..03be5b7d 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -295,14 +295,9 @@ process { ext.prefix = { "${meta.id}.${gene_sets.baseName}." } publishDir = [ [ - path: { "${params.outdir}/tables/gsea/${meta.id}/${gene_sets.baseName}" }, + path: { "${params.outdir}/report/gsea/${meta.id}/${gene_sets.baseName}" }, mode: params.publish_dir_mode, - pattern: '*gsea_report_for_*.tsv' - ], - [ - path: { "${params.outdir}/html/gsea/${meta.id}/${gene_sets.baseName}" }, - mode: params.publish_dir_mode, - pattern: '*.{html,zip,png}' + pattern: '*.{html,zip,png,*gsea_report_for_*.tsv}' ] ] ext.args = { [ From 75617599519f89e9df65957d881a3f3a731e10aa Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 30 Apr 2024 10:57:50 +0100 Subject: [PATCH 157/168] Set logging in individual configs --- conf/affy.config | 1 + conf/maxquant.config | 1 + conf/rnaseq.config | 1 + conf/soft.config | 1 + nextflow.config | 2 +- 5 files changed, 5 insertions(+), 1 deletion(-) diff --git a/conf/affy.config b/conf/affy.config index 7d953d3b..d0ceb7a3 100644 --- a/conf/affy.config +++ b/conf/affy.config @@ -27,6 +27,7 @@ params { // Exploratory exploratory_assay_names = 'raw,normalised' exploratory_final_assay = 'normalised' + exploratory_log2_assays = null // Differential options differential_file_suffix = ".limma.results.tsv" diff --git a/conf/maxquant.config b/conf/maxquant.config index 57caf2d4..8adf03c8 100644 --- a/conf/maxquant.config +++ b/conf/maxquant.config @@ -28,6 +28,7 @@ params { // Exploratory exploratory_assay_names = "raw,normalised" exploratory_final_assay = "normalised" + exploratory_log2_assays = null // Differential options differential_file_suffix = ".limma.results.tsv" diff --git a/conf/rnaseq.config b/conf/rnaseq.config index 10427bf1..c79d4828 100644 --- a/conf/rnaseq.config +++ b/conf/rnaseq.config @@ -27,6 +27,7 @@ params { // Exploratory exploratory_assay_names = "raw,normalised,variance_stabilised" exploratory_final_assay = "variance_stabilised" + exploratory_log2_assays = 'raw,normalised' // Differential options differential_file_suffix = ".deseq2.results.tsv" diff --git a/conf/soft.config b/conf/soft.config index 5109b25d..832ebc17 100644 --- a/conf/soft.config +++ b/conf/soft.config @@ -33,6 +33,7 @@ params { // Exploratory exploratory_assay_names = 'normalised' exploratory_final_assay = 'normalised' + exploratory_log2_assays = null // Differential options differential_file_suffix = ".limma.results.tsv" diff --git a/nextflow.config b/nextflow.config index 739ed74c..6390c9bf 100644 --- a/nextflow.config +++ b/nextflow.config @@ -85,8 +85,8 @@ params { exploratory_mad_threshold = -5 exploratory_assay_names = "raw,normalised,variance_stabilised" exploratory_final_assay = "variance_stabilised" + exploratory_log2_assays = 'raw,normalised' exploratory_palette_name = 'Set1' - exploratory_log2_assays = null // Differential options differential_file_suffix = null From d86edbe10bb1febf83ae509a56d3b365f950d958 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 30 Apr 2024 11:11:34 +0100 Subject: [PATCH 158/168] Update modules.config --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 03be5b7d..8cf34a7d 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -297,7 +297,7 @@ process { [ path: { "${params.outdir}/report/gsea/${meta.id}/${gene_sets.baseName}" }, mode: params.publish_dir_mode, - pattern: '*.{html,zip,png,*gsea_report_for_*.tsv}' + pattern: '*.{html,zip,png,tsv}' ] ] ext.args = { [ From 9f3ddd46e873de9adb0ea8cbd3ae68b1585926d0 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 30 Apr 2024 11:32:30 +0100 Subject: [PATCH 159/168] Update modules.config --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 8cf34a7d..c5eee153 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -297,7 +297,7 @@ process { [ path: { "${params.outdir}/report/gsea/${meta.id}/${gene_sets.baseName}" }, mode: params.publish_dir_mode, - pattern: '*.{html,zip,png,tsv}' + pattern: '*.{html,zip,png,tsv,rpt}' ] ] ext.args = { [ From 3f423b5a8b916a6151424e21225e8cd3de62e5c5 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Thu, 2 May 2024 17:52:17 +0100 Subject: [PATCH 160/168] Bump shinyngs --- modules.json | 8 +++--- modules/nf-core/shinyngs/app/environment.yml | 2 +- modules/nf-core/shinyngs/app/main.nf | 21 ++++++++++++-- .../staticdifferential/environment.yml | 2 +- .../shinyngs/staticdifferential/main.nf | 4 +-- .../staticexploratory/environment.yml | 2 +- .../shinyngs/staticexploratory/main.nf | 28 +++++++++++++++++-- .../validatefomcomponents/environment.yml | 2 +- .../shinyngs/validatefomcomponents/main.nf | 4 +-- 9 files changed, 55 insertions(+), 18 deletions(-) diff --git a/modules.json b/modules.json index c313b064..9c797442 100644 --- a/modules.json +++ b/modules.json @@ -72,22 +72,22 @@ }, "shinyngs/app": { "branch": "master", - "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", + "git_sha": "2876a02a397c7a4f2fd09fa6bc645d640da71a76", "installed_by": ["modules"] }, "shinyngs/staticdifferential": { "branch": "master", - "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", + "git_sha": "2876a02a397c7a4f2fd09fa6bc645d640da71a76", "installed_by": ["modules"] }, "shinyngs/staticexploratory": { "branch": "master", - "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", + "git_sha": "2876a02a397c7a4f2fd09fa6bc645d640da71a76", "installed_by": ["modules"] }, "shinyngs/validatefomcomponents": { "branch": "master", - "git_sha": "d2d6072ae4c3a9d394dfe773bb0751f34df7a896", + "git_sha": "2876a02a397c7a4f2fd09fa6bc645d640da71a76", "installed_by": ["modules"] }, "untar": { diff --git a/modules/nf-core/shinyngs/app/environment.yml b/modules/nf-core/shinyngs/app/environment.yml index 9d051f47..6e426d0e 100644 --- a/modules/nf-core/shinyngs/app/environment.yml +++ b/modules/nf-core/shinyngs/app/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.5 + - bioconda::r-shinyngs=1.8.7 diff --git a/modules/nf-core/shinyngs/app/main.nf b/modules/nf-core/shinyngs/app/main.nf index 3a023aa1..4e0a0ca7 100644 --- a/modules/nf-core/shinyngs/app/main.nf +++ b/modules/nf-core/shinyngs/app/main.nf @@ -15,8 +15,8 @@ process SHINYNGS_APP { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.5--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.5--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.7--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.7--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(feature_meta), path(assay_files) // Experiment-level info @@ -49,8 +49,23 @@ process SHINYNGS_APP { cat <<-END_VERSIONS > versions.yml "${task.process}": - r-base: \$(echo \$(R --version 2>&1) | sed 's/^.*R version //; s/ .*\$//') r-shinyngs: \$(Rscript -e "library(shinyngs); cat(as.character(packageVersion('shinyngs')))") END_VERSIONS """ + + stub: + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: meta.id + + """ + mkdir -p $prefix + touch ${prefix}/data.rds + touch ${prefix}/app.R + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + r-shinyngs: \$(Rscript -e "library(shinyngs); cat(as.character(packageVersion('shinyngs')))") + END_VERSIONS + """ + } diff --git a/modules/nf-core/shinyngs/staticdifferential/environment.yml b/modules/nf-core/shinyngs/staticdifferential/environment.yml index 65ef5971..6cee4c52 100644 --- a/modules/nf-core/shinyngs/staticdifferential/environment.yml +++ b/modules/nf-core/shinyngs/staticdifferential/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.5 + - bioconda::r-shinyngs=1.8.7 diff --git a/modules/nf-core/shinyngs/staticdifferential/main.nf b/modules/nf-core/shinyngs/staticdifferential/main.nf index 823eadc0..01013ae8 100644 --- a/modules/nf-core/shinyngs/staticdifferential/main.nf +++ b/modules/nf-core/shinyngs/staticdifferential/main.nf @@ -4,8 +4,8 @@ process SHINYNGS_STATICDIFFERENTIAL { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.5--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.5--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.7--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.7--r43hdfd78af_0' }" input: tuple val(meta), path(differential_result) // Differential info: contrast and differential stats diff --git a/modules/nf-core/shinyngs/staticexploratory/environment.yml b/modules/nf-core/shinyngs/staticexploratory/environment.yml index 8fbe76e2..7b567be6 100644 --- a/modules/nf-core/shinyngs/staticexploratory/environment.yml +++ b/modules/nf-core/shinyngs/staticexploratory/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.5 + - bioconda::r-shinyngs=1.8.7 diff --git a/modules/nf-core/shinyngs/staticexploratory/main.nf b/modules/nf-core/shinyngs/staticexploratory/main.nf index fbbb26c3..18a724fc 100644 --- a/modules/nf-core/shinyngs/staticexploratory/main.nf +++ b/modules/nf-core/shinyngs/staticexploratory/main.nf @@ -4,8 +4,8 @@ process SHINYNGS_STATICEXPLORATORY { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.5--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.5--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.7--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.7--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(feature_meta), path(assay_files) @@ -43,7 +43,29 @@ process SHINYNGS_STATICEXPLORATORY { cat <<-END_VERSIONS > versions.yml "${task.process}": - r-base: \$(echo \$(R --version 2>&1) | sed 's/^.*R version //; s/ .*\$//') + r-shinyngs: \$(Rscript -e "library(shinyngs); cat(as.character(packageVersion('shinyngs')))") + END_VERSIONS + """ + + stub: + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: meta.id + """ + mkdir -p ${prefix}/png ${prefix}/html + touch ${prefix}/png/boxplot.png + touch ${prefix}/html/boxplot.html + touch ${prefix}/png/density.png + touch ${prefix}/html/density.html + touch ${prefix}/png/pca2d.png + touch ${prefix}/html/pca3d.html + touch ${prefix}/png/pca3d.png + touch ${prefix}/html/pca2d.html + touch ${prefix}/png/mad_correlation.png + touch ${prefix}/html/mad_correlation.html + touch ${prefix}/png/sample_dendrogram.png + + cat <<-END_VERSIONS > versions.yml + "${task.process}": r-shinyngs: \$(Rscript -e "library(shinyngs); cat(as.character(packageVersion('shinyngs')))") END_VERSIONS """ diff --git a/modules/nf-core/shinyngs/validatefomcomponents/environment.yml b/modules/nf-core/shinyngs/validatefomcomponents/environment.yml index 9fd7dfd8..18f9489a 100644 --- a/modules/nf-core/shinyngs/validatefomcomponents/environment.yml +++ b/modules/nf-core/shinyngs/validatefomcomponents/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.5 + - bioconda::r-shinyngs=1.8.7 diff --git a/modules/nf-core/shinyngs/validatefomcomponents/main.nf b/modules/nf-core/shinyngs/validatefomcomponents/main.nf index 88a6153a..8d59a272 100644 --- a/modules/nf-core/shinyngs/validatefomcomponents/main.nf +++ b/modules/nf-core/shinyngs/validatefomcomponents/main.nf @@ -4,8 +4,8 @@ process SHINYNGS_VALIDATEFOMCOMPONENTS { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.5--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.5--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.7--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.7--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(assay_files) From 5fe81f0389b819f7fc94675c7cfbc3e6f68a03b5 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Fri, 3 May 2024 08:59:23 +0100 Subject: [PATCH 161/168] Bump shinyngs again --- conf/modules.config | 4 ++-- modules.json | 16 ++++++++-------- modules/nf-core/shinyngs/app/environment.yml | 2 +- modules/nf-core/shinyngs/app/main.nf | 4 ++-- .../shinyngs/staticdifferential/environment.yml | 2 +- .../nf-core/shinyngs/staticdifferential/main.nf | 4 ++-- .../shinyngs/staticexploratory/environment.yml | 2 +- .../nf-core/shinyngs/staticexploratory/main.nf | 4 ++-- .../validatefomcomponents/environment.yml | 2 +- .../shinyngs/validatefomcomponents/main.nf | 4 ++-- 10 files changed, 22 insertions(+), 22 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index 27f04a6d..3d4ffbb4 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -433,8 +433,8 @@ process { } withName: RMARKDOWNNOTEBOOK { - conda = "bioconda::r-shinyngs=1.8.4" - container = { "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.4--r43hdfd78af_0' : 'biocontainers/r-shinyngs:1.8.4--r43hdfd78af_0' }" } + conda = "bioconda::r-shinyngs=1.8.8" + container = { "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.8--r43hdfd78af_0' : 'biocontainers/r-shinyngs:1.8.8--r43hdfd78af_0' }" } publishDir = [ [ path: { "${params.outdir}/report" }, diff --git a/modules.json b/modules.json index 9c797442..9291e474 100644 --- a/modules.json +++ b/modules.json @@ -71,23 +71,23 @@ "installed_by": ["modules"] }, "shinyngs/app": { - "branch": "master", - "git_sha": "2876a02a397c7a4f2fd09fa6bc645d640da71a76", + "branch": "bump_shinyngs", + "git_sha": "ce53a9dd60456c4a5c5d899a37ea843df2fdfcfd", "installed_by": ["modules"] }, "shinyngs/staticdifferential": { - "branch": "master", - "git_sha": "2876a02a397c7a4f2fd09fa6bc645d640da71a76", + "branch": "bump_shinyngs", + "git_sha": "ce53a9dd60456c4a5c5d899a37ea843df2fdfcfd", "installed_by": ["modules"] }, "shinyngs/staticexploratory": { - "branch": "master", - "git_sha": "2876a02a397c7a4f2fd09fa6bc645d640da71a76", + "branch": "bump_shinyngs", + "git_sha": "ce53a9dd60456c4a5c5d899a37ea843df2fdfcfd", "installed_by": ["modules"] }, "shinyngs/validatefomcomponents": { - "branch": "master", - "git_sha": "2876a02a397c7a4f2fd09fa6bc645d640da71a76", + "branch": "bump_shinyngs", + "git_sha": "ce53a9dd60456c4a5c5d899a37ea843df2fdfcfd", "installed_by": ["modules"] }, "untar": { diff --git a/modules/nf-core/shinyngs/app/environment.yml b/modules/nf-core/shinyngs/app/environment.yml index 6e426d0e..0e6de401 100644 --- a/modules/nf-core/shinyngs/app/environment.yml +++ b/modules/nf-core/shinyngs/app/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.7 + - bioconda::r-shinyngs=1.8.8 diff --git a/modules/nf-core/shinyngs/app/main.nf b/modules/nf-core/shinyngs/app/main.nf index 4e0a0ca7..ef05a863 100644 --- a/modules/nf-core/shinyngs/app/main.nf +++ b/modules/nf-core/shinyngs/app/main.nf @@ -15,8 +15,8 @@ process SHINYNGS_APP { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.7--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.7--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.8--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.8--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(feature_meta), path(assay_files) // Experiment-level info diff --git a/modules/nf-core/shinyngs/staticdifferential/environment.yml b/modules/nf-core/shinyngs/staticdifferential/environment.yml index 6cee4c52..bec57084 100644 --- a/modules/nf-core/shinyngs/staticdifferential/environment.yml +++ b/modules/nf-core/shinyngs/staticdifferential/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.7 + - bioconda::r-shinyngs=1.8.8 diff --git a/modules/nf-core/shinyngs/staticdifferential/main.nf b/modules/nf-core/shinyngs/staticdifferential/main.nf index 01013ae8..c61ccb4a 100644 --- a/modules/nf-core/shinyngs/staticdifferential/main.nf +++ b/modules/nf-core/shinyngs/staticdifferential/main.nf @@ -4,8 +4,8 @@ process SHINYNGS_STATICDIFFERENTIAL { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.7--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.7--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.8--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.8--r43hdfd78af_0' }" input: tuple val(meta), path(differential_result) // Differential info: contrast and differential stats diff --git a/modules/nf-core/shinyngs/staticexploratory/environment.yml b/modules/nf-core/shinyngs/staticexploratory/environment.yml index 7b567be6..1c923f1b 100644 --- a/modules/nf-core/shinyngs/staticexploratory/environment.yml +++ b/modules/nf-core/shinyngs/staticexploratory/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.7 + - bioconda::r-shinyngs=1.8.8 diff --git a/modules/nf-core/shinyngs/staticexploratory/main.nf b/modules/nf-core/shinyngs/staticexploratory/main.nf index 18a724fc..1a3104b3 100644 --- a/modules/nf-core/shinyngs/staticexploratory/main.nf +++ b/modules/nf-core/shinyngs/staticexploratory/main.nf @@ -4,8 +4,8 @@ process SHINYNGS_STATICEXPLORATORY { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.7--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.7--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.8--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.8--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(feature_meta), path(assay_files) diff --git a/modules/nf-core/shinyngs/validatefomcomponents/environment.yml b/modules/nf-core/shinyngs/validatefomcomponents/environment.yml index 18f9489a..4f3067bc 100644 --- a/modules/nf-core/shinyngs/validatefomcomponents/environment.yml +++ b/modules/nf-core/shinyngs/validatefomcomponents/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::r-shinyngs=1.8.7 + - bioconda::r-shinyngs=1.8.8 diff --git a/modules/nf-core/shinyngs/validatefomcomponents/main.nf b/modules/nf-core/shinyngs/validatefomcomponents/main.nf index 8d59a272..fad3948a 100644 --- a/modules/nf-core/shinyngs/validatefomcomponents/main.nf +++ b/modules/nf-core/shinyngs/validatefomcomponents/main.nf @@ -4,8 +4,8 @@ process SHINYNGS_VALIDATEFOMCOMPONENTS { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.7--r43hdfd78af_0' : - 'biocontainers/r-shinyngs:1.8.7--r43hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/r-shinyngs:1.8.8--r43hdfd78af_0' : + 'biocontainers/r-shinyngs:1.8.8--r43hdfd78af_0' }" input: tuple val(meta), path(sample), path(assay_files) From 717d6416de16e229ed04fe97e3153b04a11cd4f5 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Fri, 3 May 2024 09:05:09 +0100 Subject: [PATCH 162/168] Update sw to fix linting --- modules.json | 2 +- subworkflows/nf-core/utils_nfcore_pipeline/main.nf | 8 +++++++- 2 files changed, 8 insertions(+), 2 deletions(-) diff --git a/modules.json b/modules.json index 9291e474..14059ffc 100644 --- a/modules.json +++ b/modules.json @@ -111,7 +111,7 @@ }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", + "git_sha": "92de218a329bfc9a9033116eb5f65fd270e72ba3", "installed_by": ["subworkflows"] }, "utils_nfvalidation_plugin": { diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf index a8b55d6f..14558c39 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -65,9 +65,15 @@ def checkProfileProvided(nextflow_cli_args) { // Citation string for pipeline // def workflowCitation() { + def temp_doi_ref = "" + String[] manifest_doi = workflow.manifest.doi.tokenize(",") + // Using a loop to handle multiple DOIs + // Removing `https://doi.org/` to handle pipelines using DOIs vs DOI resolvers + // Removing ` ` since the manifest.doi is a string and not a proper list + for (String doi_ref: manifest_doi) temp_doi_ref += " https://doi.org/${doi_ref.replace('https://doi.org/', '').replace(' ', '')}\n" return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + "* The pipeline\n" + - " ${workflow.manifest.doi}\n\n" + + temp_doi_ref + "\n" + "* The nf-core framework\n" + " https://doi.org/10.1038/s41587-020-0439-x\n\n" + "* Software dependencies\n" + From 4be285a66b810ac0ad588cc0d6631c4ca60838d1 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Fri, 3 May 2024 10:35:35 +0100 Subject: [PATCH 163/168] Add prettify fix to notebook --- assets/differentialabundance_report.Rmd | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets/differentialabundance_report.Rmd b/assets/differentialabundance_report.Rmd index e6e2bd8c..7bf41c12 100644 --- a/assets/differentialabundance_report.Rmd +++ b/assets/differentialabundance_report.Rmd @@ -315,7 +315,7 @@ if (!is.null(log2_assays)) { # Remove brackets from assay list. TODO: remove if this is added to cond_log2_transform_assays log2_assays <- gsub('\\]$', '', gsub('^\\[', '', log2_assays)) } -assay_data <- cond_log2_transform_assays(assay_data, log2_assays) +assay_data <- cond_log2_transform_assays(assay_data, log2_assays, prettify_names = FALSE) # Now we can rename the observations rows using the title field rownames(observations) <- observations[[observations_name_col]] From b807bc84c63d2cd596a02333a9f12206abf68980 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Fri, 3 May 2024 10:36:04 +0100 Subject: [PATCH 164/168] Commit nf-test dirs from module updates --- .../nf-core/shinyngs/app/tests/main.nf.test | 133 +++++++++++++++ .../shinyngs/app/tests/main.nf.test.snap | 44 +++++ .../shinyngs/app/tests/nextflow.config | 14 ++ modules/nf-core/shinyngs/app/tests/tags.yml | 2 + .../staticexploratory/tests/main.nf.test | 154 ++++++++++++++++++ .../staticexploratory/tests/main.nf.test.snap | 79 +++++++++ .../staticexploratory/tests/nextflow.config | 8 + .../tests/nextflow_html.conf | 5 + .../tests/nextflow_specify_log.conf | 5 + .../shinyngs/staticexploratory/tests/tags.yml | 2 + 10 files changed, 446 insertions(+) create mode 100644 modules/nf-core/shinyngs/app/tests/main.nf.test create mode 100644 modules/nf-core/shinyngs/app/tests/main.nf.test.snap create mode 100644 modules/nf-core/shinyngs/app/tests/nextflow.config create mode 100644 modules/nf-core/shinyngs/app/tests/tags.yml create mode 100644 modules/nf-core/shinyngs/staticexploratory/tests/main.nf.test create mode 100644 modules/nf-core/shinyngs/staticexploratory/tests/main.nf.test.snap create mode 100644 modules/nf-core/shinyngs/staticexploratory/tests/nextflow.config create mode 100644 modules/nf-core/shinyngs/staticexploratory/tests/nextflow_html.conf create mode 100644 modules/nf-core/shinyngs/staticexploratory/tests/nextflow_specify_log.conf create mode 100644 modules/nf-core/shinyngs/staticexploratory/tests/tags.yml diff --git a/modules/nf-core/shinyngs/app/tests/main.nf.test b/modules/nf-core/shinyngs/app/tests/main.nf.test new file mode 100644 index 00000000..39d6e27e --- /dev/null +++ b/modules/nf-core/shinyngs/app/tests/main.nf.test @@ -0,0 +1,133 @@ +nextflow_process { + + name "Test Process SHINYNGS_APP" + script "../main.nf" + process "SHINYNGS_APP" + + tag "modules" + tag "modules_nfcore" + tag "shinyngs" + tag "shinyngs/app" + + test("mouse - multi matrix") { + + config './nextflow.config' + + when { + process { + """ + expression_test_data_dir = params.modules_testdata_base_path + 'genomics/mus_musculus/rnaseq_expression/' + + expression_sample_sheet = file(expression_test_data_dir + 'SRP254919.samplesheet.csv', checkIfExists: true) + expression_feature_meta = file(expression_test_data_dir + 'SRP254919.gene_meta.tsv', checkIfExists: true) + raw_expression_matrix_file = file(expression_test_data_dir + 'SRP254919.salmon.merged.gene_counts.top1000cov.tsv', checkIfExists: true) + expression_contrasts = file(expression_test_data_dir + 'SRP254919.contrasts.csv', checkIfExists: true) + expression_differential = file(expression_test_data_dir + 'SRP254919.salmon.merged.deseq2.results.tsv', checkIfExists: true) + + // Copy some inputs for testing the multi-matrix functionality + raw_expression_matrix_file.copyTo('normalised.tsv') + normalised_expression_matrix_file = file('normalised.tsv') + expression_differential.copyTo('second_contrast_stats.tsv') + second_contrast_stats = file('second_contrast_stats.tsv') + + contrast_stats_assay = Channel.value(1) + + input[0] = [ [ "id":"SRP254919" ], expression_sample_sheet, expression_feature_meta, [ raw_expression_matrix_file, normalised_expression_matrix_file ] ] + input[1] = [ [ "id":"SRP254919" ], expression_contrasts, [ expression_differential, second_contrast_stats ] ] + input[2] = contrast_stats_assay + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + file(process.out.app[0][1]).name, + process.out.app[0][2], + process.out.versions + ).match() } + ) + } + } + + test("mouse - single matrix") { + + config './nextflow.config' + + when { + process { + """ + expression_test_data_dir = params.modules_testdata_base_path + 'genomics/mus_musculus/rnaseq_expression/' + + expression_sample_sheet = file(expression_test_data_dir + 'SRP254919.samplesheet.csv', checkIfExists: true) + expression_feature_meta = file(expression_test_data_dir + 'SRP254919.gene_meta.tsv', checkIfExists: true) + raw_expression_matrix_file = file(expression_test_data_dir + 'SRP254919.salmon.merged.gene_counts.top1000cov.tsv', checkIfExists: true) + expression_contrasts = file(expression_test_data_dir + 'SRP254919.contrasts.csv', checkIfExists: true) + expression_differential = file(expression_test_data_dir + 'SRP254919.salmon.merged.deseq2.results.tsv', checkIfExists: true) + + // Copy some inputs for testing the multi-matrix functionality + expression_differential.copyTo('second_contrast_stats.tsv') + second_contrast_stats = file('second_contrast_stats.tsv') + + contrast_stats_assay = Channel.value(1) + + input[0] = [ [ "id":"SRP254919" ], expression_sample_sheet, expression_feature_meta, [ raw_expression_matrix_file ] ] + input[1] = [ [ "id":"SRP254919" ], expression_contrasts, [ expression_differential, second_contrast_stats ] ] + input[2] = contrast_stats_assay + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + file(process.out.app[0][1]).name, + process.out.app[0][2], + process.out.versions + ).match() } + ) + } + } + + test("mouse - stub") { + + options "-stub" + + when { + process { + """ + expression_test_data_dir = params.modules_testdata_base_path + 'genomics/mus_musculus/rnaseq_expression/' + + expression_sample_sheet = file(expression_test_data_dir + 'SRP254919.samplesheet.csv', checkIfExists: true) + expression_feature_meta = file(expression_test_data_dir + 'SRP254919.gene_meta.tsv', checkIfExists: true) + raw_expression_matrix_file = file(expression_test_data_dir + 'SRP254919.salmon.merged.gene_counts.top1000cov.tsv', checkIfExists: true) + expression_contrasts = file(expression_test_data_dir + 'SRP254919.contrasts.csv', checkIfExists: true) + expression_differential = file(expression_test_data_dir + 'SRP254919.salmon.merged.deseq2.results.tsv', checkIfExists: true) + + // Copy some inputs for testing the multi-matrix functionality + expression_differential.copyTo('second_contrast_stats.tsv') + second_contrast_stats = file('second_contrast_stats.tsv') + + contrast_stats_assay = Channel.value(1) + + input[0] = [ [ "id":"SRP254919" ], expression_sample_sheet, expression_feature_meta, [ raw_expression_matrix_file ] ] + input[1] = [ [ "id":"SRP254919" ], expression_contrasts, [ expression_differential, second_contrast_stats ] ] + input[2] = contrast_stats_assay + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + file(process.out.app[0][1]).name, + process.out.app[0][2], + process.out.versions + ).match() } + ) + } + } +} diff --git a/modules/nf-core/shinyngs/app/tests/main.nf.test.snap b/modules/nf-core/shinyngs/app/tests/main.nf.test.snap new file mode 100644 index 00000000..f87c17d7 --- /dev/null +++ b/modules/nf-core/shinyngs/app/tests/main.nf.test.snap @@ -0,0 +1,44 @@ +{ + "mouse - stub": { + "content": [ + "data.rds", + "app.R:md5,d41d8cd98f00b204e9800998ecf8427e", + [ + "versions.yml:md5,9a3135ae8ff362a9671b280dcc5781da" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-05-03T08:47:11.758494" + }, + "mouse - multi matrix": { + "content": [ + "data.rds", + "app.R:md5,bedcfc45b6cdcc2b8fe3627987e2b17a", + [ + "versions.yml:md5,9a3135ae8ff362a9671b280dcc5781da" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-05-03T08:46:37.144273" + }, + "mouse - single matrix": { + "content": [ + "data.rds", + "app.R:md5,bedcfc45b6cdcc2b8fe3627987e2b17a", + [ + "versions.yml:md5,9a3135ae8ff362a9671b280dcc5781da" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-05-03T08:46:57.227288" + } +} \ No newline at end of file diff --git a/modules/nf-core/shinyngs/app/tests/nextflow.config b/modules/nf-core/shinyngs/app/tests/nextflow.config new file mode 100644 index 00000000..b5fffed1 --- /dev/null +++ b/modules/nf-core/shinyngs/app/tests/nextflow.config @@ -0,0 +1,14 @@ +process { + //withName: test_shinyngs_app:SHINYNGS_APP { + // secret 'SHINYAPPS_TOKEN' + // secret 'SHINYAPPS_SECRET' + //} + withName: test_shinyngs_app:SHINYNGS_APP { + ext.prefix = { "${meta.id}_test" } + ext.args = { "--contrast_stats_assay 1" } + } + withName: test_shinyngs_app_multi_matrix:SHINYNGS_APP { + ext.prefix = { "${meta.id}_test" } + ext.args = { "--assay-names raw,normalised --contrast_stats_assay 2" } + } +} diff --git a/modules/nf-core/shinyngs/app/tests/tags.yml b/modules/nf-core/shinyngs/app/tests/tags.yml new file mode 100644 index 00000000..07331846 --- /dev/null +++ b/modules/nf-core/shinyngs/app/tests/tags.yml @@ -0,0 +1,2 @@ +shinyngs/app: + - "modules/nf-core/shinyngs/app/**" diff --git a/modules/nf-core/shinyngs/staticexploratory/tests/main.nf.test b/modules/nf-core/shinyngs/staticexploratory/tests/main.nf.test new file mode 100644 index 00000000..3338aba1 --- /dev/null +++ b/modules/nf-core/shinyngs/staticexploratory/tests/main.nf.test @@ -0,0 +1,154 @@ +nextflow_process { + + name "Test Process SHINYNGS_STATICEXPLORATORY" + script "../main.nf" + process "SHINYNGS_STATICEXPLORATORY" + + tag "modules" + tag "modules_nfcore" + tag "shinyngs" + tag "shinyngs/staticexploratory" + + test("mouse - defaults") { + + when { + process { + """ + expression_test_data_dir = params.modules_testdata_base_path + 'genomics/mus_musculus/rnaseq_expression/' + + expression_sample_sheet = file(expression_test_data_dir + 'SRP254919.samplesheet.csv', checkIfExists: true) + expression_feature_meta = file(expression_test_data_dir + 'SRP254919.gene_meta.tsv', checkIfExists: true) + expression_matrix_file = file(expression_test_data_dir + 'SRP254919.salmon.merged.gene_counts.top1000cov.tsv', checkIfExists: true) + + input[0] = [ [ "id":"treatment" ], expression_sample_sheet, expression_feature_meta, [ expression_matrix_file ] ] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + file(process.out.boxplots_png[0][1]).name, + file(process.out.densities_png[0][1]).name, + file(process.out.mad_png[0][1]).name, + file(process.out.pca2d_png[0][1]).name, + file(process.out.pca3d_png[0][1]).name, + file(process.out.dendro[0][1]).name, + process.out.versions + ).match() } + ) + } + + } + + test("mouse - defaults - stub") { + + options "-stub" + + when { + process { + """ + expression_test_data_dir = params.modules_testdata_base_path + 'genomics/mus_musculus/rnaseq_expression/' + + expression_sample_sheet = file(expression_test_data_dir + 'SRP254919.samplesheet.csv', checkIfExists: true) + expression_feature_meta = file(expression_test_data_dir + 'SRP254919.gene_meta.tsv', checkIfExists: true) + expression_matrix_file = file(expression_test_data_dir + 'SRP254919.salmon.merged.gene_counts.top1000cov.tsv', checkIfExists: true) + + input[0] = [ [ "id":"treatment" ], expression_sample_sheet, expression_feature_meta, [ expression_matrix_file ] ] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + file(process.out.boxplots_png[0][1]).name, + file(process.out.densities_png[0][1]).name, + file(process.out.mad_png[0][1]).name, + file(process.out.pca2d_png[0][1]).name, + file(process.out.pca3d_png[0][1]).name, + file(process.out.dendro[0][1]).name, + process.out.versions + ).match() } + ) + } + + } + + test("mouse - specify log") { + + config './nextflow_specify_log.conf' + + when { + process { + """ + expression_test_data_dir = params.modules_testdata_base_path + 'genomics/mus_musculus/rnaseq_expression/' + + expression_sample_sheet = file(expression_test_data_dir + 'SRP254919.samplesheet.csv', checkIfExists: true) + expression_feature_meta = file(expression_test_data_dir + 'SRP254919.gene_meta.tsv', checkIfExists: true) + expression_matrix_file = file(expression_test_data_dir + 'SRP254919.salmon.merged.gene_counts.top1000cov.tsv', checkIfExists: true) + + input[0] = [ [ "id":"treatment" ], expression_sample_sheet, expression_feature_meta, [ expression_matrix_file ] ] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + file(process.out.boxplots_png[0][1]).name, + file(process.out.densities_png[0][1]).name, + file(process.out.mad_png[0][1]).name, + file(process.out.pca2d_png[0][1]).name, + file(process.out.pca3d_png[0][1]).name, + file(process.out.dendro[0][1]).name, + process.out.versions + ).match() } + ) + } + + } + + test("mouse - html") { + + config './nextflow_html.conf' + + when { + process { + """ + expression_test_data_dir = params.modules_testdata_base_path + 'genomics/mus_musculus/rnaseq_expression/' + + expression_sample_sheet = file(expression_test_data_dir + 'SRP254919.samplesheet.csv', checkIfExists: true) + expression_feature_meta = file(expression_test_data_dir + 'SRP254919.gene_meta.tsv', checkIfExists: true) + expression_matrix_file = file(expression_test_data_dir + 'SRP254919.salmon.merged.gene_counts.top1000cov.tsv', checkIfExists: true) + + input[0] = [ [ "id":"treatment" ], expression_sample_sheet, expression_feature_meta, [ expression_matrix_file ] ] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + file(process.out.boxplots_png[0][1]).name, + file(process.out.densities_png[0][1]).name, + file(process.out.mad_png[0][1]).name, + file(process.out.pca2d_png[0][1]).name, + file(process.out.pca3d_png[0][1]).name, + file(process.out.dendro[0][1]).name, + path(process.out.boxplots_html[0][1]).readLines().contains('ENSMUSG00000027456","Gm37080'), + path(process.out.densities_html[0][1]).readLines().contains('-1.4916353753463203,-1.3078530974016225,-1.1240708194569247,-0.94028854151222707'), + path(process.out.mad_html[0][1]).readLines().contains('0,-0.74295280067699376,0.67449075947659531,-0.6744907594765952'), + path(process.out.pca2d_html[0][1]).readLines().contains('SRX8042381","SRX8042382'), + path(process.out.pca3d_html[0][1]).readLines().contains('SRX8042381","SRX8042382'), + process.out.versions + ).match() } + ) + } + + } +} diff --git a/modules/nf-core/shinyngs/staticexploratory/tests/main.nf.test.snap b/modules/nf-core/shinyngs/staticexploratory/tests/main.nf.test.snap new file mode 100644 index 00000000..b95d031c --- /dev/null +++ b/modules/nf-core/shinyngs/staticexploratory/tests/main.nf.test.snap @@ -0,0 +1,79 @@ +{ + "mouse - defaults - stub": { + "content": [ + "boxplot.png", + "density.png", + "mad_correlation.png", + "pca2d.png", + "pca3d.png", + "sample_dendrogram.png", + [ + "versions.yml:md5,526fbe61b95ad3a722d7470ca1874ca3" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-05-03T08:48:20.908769" + }, + "mouse - defaults": { + "content": [ + "boxplot.png", + "density.png", + "mad_correlation.png", + "pca2d.png", + "pca3d.png", + "sample_dendrogram.png", + [ + "versions.yml:md5,526fbe61b95ad3a722d7470ca1874ca3" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-05-03T08:48:06.589763" + }, + "mouse - specify log": { + "content": [ + "boxplot.png", + "density.png", + "mad_correlation.png", + "pca2d.png", + "pca3d.png", + "sample_dendrogram.png", + [ + "versions.yml:md5,526fbe61b95ad3a722d7470ca1874ca3" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-05-03T08:48:41.352789" + }, + "mouse - html": { + "content": [ + "boxplot.png", + "density.png", + "mad_correlation.png", + "pca2d.png", + "pca3d.png", + "sample_dendrogram.png", + false, + false, + false, + false, + false, + [ + "versions.yml:md5,526fbe61b95ad3a722d7470ca1874ca3" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-05-03T08:49:04.969108" + } +} \ No newline at end of file diff --git a/modules/nf-core/shinyngs/staticexploratory/tests/nextflow.config b/modules/nf-core/shinyngs/staticexploratory/tests/nextflow.config new file mode 100644 index 00000000..399ac590 --- /dev/null +++ b/modules/nf-core/shinyngs/staticexploratory/tests/nextflow.config @@ -0,0 +1,8 @@ +process { + withName: 'test_shinyngs_staticexploratory_specify_log:SHINYNGS_STATICEXPLORATORY' { + ext.args = { "--log2_assays '1'" } + } + withName: 'test_shinyngs_staticexploratory_html:SHINYNGS_STATICEXPLORATORY' { + ext.args = { "--write_html" } + } +} \ No newline at end of file diff --git a/modules/nf-core/shinyngs/staticexploratory/tests/nextflow_html.conf b/modules/nf-core/shinyngs/staticexploratory/tests/nextflow_html.conf new file mode 100644 index 00000000..b7a293a4 --- /dev/null +++ b/modules/nf-core/shinyngs/staticexploratory/tests/nextflow_html.conf @@ -0,0 +1,5 @@ +process { + withName: 'SHINYNGS_STATICEXPLORATORY' { + ext.args = { "--write_html" } + } +} diff --git a/modules/nf-core/shinyngs/staticexploratory/tests/nextflow_specify_log.conf b/modules/nf-core/shinyngs/staticexploratory/tests/nextflow_specify_log.conf new file mode 100644 index 00000000..0872df66 --- /dev/null +++ b/modules/nf-core/shinyngs/staticexploratory/tests/nextflow_specify_log.conf @@ -0,0 +1,5 @@ +process { + withName: 'SHINYNGS_STATICEXPLORATORY' { + ext.args = { "--log2_assays '1'" } + } +} diff --git a/modules/nf-core/shinyngs/staticexploratory/tests/tags.yml b/modules/nf-core/shinyngs/staticexploratory/tests/tags.yml new file mode 100644 index 00000000..8e507165 --- /dev/null +++ b/modules/nf-core/shinyngs/staticexploratory/tests/tags.yml @@ -0,0 +1,2 @@ +shinyngs/staticexploratory: + - "modules/nf-core/shinyngs/staticexploratory/**" From 7f6be6d0315963bd040af8036c75d0b961c531f6 Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 7 May 2024 09:32:52 +0100 Subject: [PATCH 165/168] Update CHANGELOG --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index dd44453b..c41dd5ec 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [[#266](https://github.com/nf-core/differentialabundance/pull/266)] - Fix logging by specifying assays to log ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#259](https://github.com/nf-core/differentialabundance/pull/259)] - Bump gtf2featureannotation to fix GTF handling error ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#257](https://github.com/nf-core/differentialabundance/pull/257)] - Added maxquant profile to nextflow.config to make it available ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#254](https://github.com/nf-core/differentialabundance/pull/254)] - Some parameter changes, added qbic credits ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) From 9c1a6cf124c8a06589e7cac92d1522f35929211b Mon Sep 17 00:00:00 2001 From: Jonathan Manning Date: Tue, 7 May 2024 11:08:13 +0100 Subject: [PATCH 166/168] Fix module install sources --- modules.json | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/modules.json b/modules.json index 14059ffc..6362693e 100644 --- a/modules.json +++ b/modules.json @@ -71,23 +71,23 @@ "installed_by": ["modules"] }, "shinyngs/app": { - "branch": "bump_shinyngs", - "git_sha": "ce53a9dd60456c4a5c5d899a37ea843df2fdfcfd", + "branch": "master", + "git_sha": "85519fe9deccf2c5f7ff1f3b5d3494c61a794643", "installed_by": ["modules"] }, "shinyngs/staticdifferential": { - "branch": "bump_shinyngs", - "git_sha": "ce53a9dd60456c4a5c5d899a37ea843df2fdfcfd", + "branch": "master", + "git_sha": "85519fe9deccf2c5f7ff1f3b5d3494c61a794643", "installed_by": ["modules"] }, "shinyngs/staticexploratory": { - "branch": "bump_shinyngs", - "git_sha": "ce53a9dd60456c4a5c5d899a37ea843df2fdfcfd", + "branch": "master", + "git_sha": "85519fe9deccf2c5f7ff1f3b5d3494c61a794643", "installed_by": ["modules"] }, "shinyngs/validatefomcomponents": { - "branch": "bump_shinyngs", - "git_sha": "ce53a9dd60456c4a5c5d899a37ea843df2fdfcfd", + "branch": "master", + "git_sha": "85519fe9deccf2c5f7ff1f3b5d3494c61a794643", "installed_by": ["modules"] }, "untar": { From fb370245fa928f14e866c0072c938eb03ee139c5 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 8 May 2024 09:52:30 +0200 Subject: [PATCH 167/168] minor fixes for release, update changelog --- .github/workflows/awsfulltest.yml | 3 --- CHANGELOG.md | 2 ++ main.nf | 2 +- 3 files changed, 3 insertions(+), 4 deletions(-) diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index aa6416ec..dd68bc7f 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -15,9 +15,6 @@ jobs: steps: - name: Launch workflow via tower uses: seqeralabs/action-tower-launch@v2 - # TODO nf-core: You can customise AWS full pipeline tests as required - # Add full size test data (but still relatively small datasets for few samples) - # on the `test_full.config` test runs with only one set of parameters with: workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }} access_token: ${{ secrets.TOWER_ACCESS_TOKEN }} diff --git a/CHANGELOG.md b/CHANGELOG.md index dd44453b..92f55c97 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -20,6 +20,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [[#267](https://github.com/nf-core/differentialabundance/pull/267) - Whitespace fix, remove TODO, also update changelog for release release 1.5.0 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#265](https://github.com/nf-core/differentialabundance/pull/265) - GSEA- pngs and htmls in same place ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#257](https://github.com/nf-core/differentialabundance/pull/257)] - Fixed FILTER_DIFFTABLE module, updated PROTEUS module to better handle whitespace in prefix param, made docs clearer ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#254](https://github.com/nf-core/differentialabundance/pull/254)] - Made differential_file_suffix optional ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) @@ -34,6 +35,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` +- [[#256](https://github.com/nf-core/differentialabundance/pull/256)] - Release 1.5.0 ([@WackerO](https://github.com/WackerO), review by [@maxulysse](https://github.com/maxulysse), [@pinin4fjords](https://github.com/pinin4fjords)) - [[#264](https://github.com/nf-core/differentialabundance/pull/264)] - Change FILTER_DIFFTABLE to python because AWK does not correctly filter reliably ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#232](https://github.com/nf-core/differentialabundance/pull/232)] - Mention missing dots in volcano plot, change rounding, turn off rounding by default ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) diff --git a/main.nf b/main.nf index eb85e568..8d350dad 100644 --- a/main.nf +++ b/main.nf @@ -17,7 +17,7 @@ nextflow.enable.dsl = 2 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -include { DIFFERENTIALABUNDANCE } from './workflows/differentialabundance' +include { DIFFERENTIALABUNDANCE } from './workflows/differentialabundance' include { PIPELINE_INITIALISATION } from './subworkflows/local/utils_nfcore_differentialabundance_pipeline' include { PIPELINE_COMPLETION } from './subworkflows/local/utils_nfcore_differentialabundance_pipeline' From 3ec9d1e3dd553f0f17eee177a74cfeb9dc0c39d5 Mon Sep 17 00:00:00 2001 From: WackerO Date: Wed, 8 May 2024 10:34:00 +0200 Subject: [PATCH 168/168] fixed brackets in changelog --- CHANGELOG.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 92f55c97..0a069fdc 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -20,8 +20,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [[#267](https://github.com/nf-core/differentialabundance/pull/267) - Whitespace fix, remove TODO, also update changelog for release release 1.5.0 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) -- [[#265](https://github.com/nf-core/differentialabundance/pull/265) - GSEA- pngs and htmls in same place ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) +- [[#267](https://github.com/nf-core/differentialabundance/pull/267)] - Whitespace fix, remove TODO, also update changelog for release release 1.5.0 ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) +- [[#265](https://github.com/nf-core/differentialabundance/pull/265)] - GSEA- pngs and htmls in same place ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO)) - [[#257](https://github.com/nf-core/differentialabundance/pull/257)] - Fixed FILTER_DIFFTABLE module, updated PROTEUS module to better handle whitespace in prefix param, made docs clearer ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#254](https://github.com/nf-core/differentialabundance/pull/254)] - Made differential_file_suffix optional ([@WackerO](https://github.com/WackerO), review by [@pinin4fjords](https://github.com/pinin4fjords)) - [[#240](https://github.com/nf-core/differentialabundance/pull/240)] - Publish GSEA reports ([@pinin4fjords](https://github.com/pinin4fjords), review by [@WackerO](https://github.com/WackerO))
    Process Name \\", - " \\ Software Version
    CUSTOM_DUMPSOFTWAREVERSIONSpython3.11.7
    yaml5.4.1
    TOOL1tool10.11.9
    TOOL2tool21.9
    WorkflowNextflow
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