From 20b71fa0880ef3d870e4c3c5bf5375054852fd98 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Thu, 11 Jul 2024 13:48:32 -0500 Subject: [PATCH 01/44] dropped quay.io from docker paths --- nextflow.config | 76 +++++++++++++++++++++++++++---------------------- 1 file changed, 42 insertions(+), 34 deletions(-) diff --git a/nextflow.config b/nextflow.config index f6675468..b8d445ca 100644 --- a/nextflow.config +++ b/nextflow.config @@ -173,7 +173,7 @@ params { abricate { singularity = "https://depot.galaxyproject.org/singularity/abricate%3A1.0.1--ha8f3691_1" - docker = "quay.io/biocontainers/abricate:1.0.1--ha8f3691_1" + docker = "biocontainers/abricate:1.0.1--ha8f3691_1" args = { "" } report_tag = "Abricate" header_p = true @@ -188,18 +188,18 @@ params { // coreutils e.g. cat coreutils { singularity = "https://depot.galaxyproject.org/singularity/coreutils%3A8.31--h14c3975_0" - docker = 'quay.io/biocontainers/coreutils:8.31--h14c3975_0' + docker = 'biocontainers/coreutils:8.31--h14c3975_0' } // Python container, May switch for pypy3 python3 { - singularity = "quay.io/biocontainers/staramr:0.10.0--pyhdfd78af_0" - docker = "quay.io/biocontainers/staramr:0.10.0--pyhdfd78af_0" + singularity = "biocontainers/staramr:0.10.0--pyhdfd78af_0" + docker = "biocontainers/staramr:0.10.0--pyhdfd78af_0" } seqtk { singularity = 'https://depot.galaxyproject.org/singularity/seqtk%3A1.4--he4a0461_1' - docker = 'quay.io/biocontainers/seqtk:1.4--he4a0461_1' + docker = 'biocontainers/seqtk:1.4--he4a0461_1' seed = 42 reads_ext = ".sampled.fastq.gz" assembly_fastq = ".fastq.gz" @@ -208,15 +208,15 @@ params { seqtk_size { singularity = 'https://depot.galaxyproject.org/singularity/seqtk%3A1.4--he4a0461_1' - docker = 'quay.io/biocontainers/seqtk:1.4--he4a0461_1' + docker = 'biocontainers/seqtk:1.4--he4a0461_1' report_tag = "SeqtkBaseCount" } locidex { // awaiting singluarity image build //singularity = "https://depot.galaxyproject.org/singularity/locidex%3A0.1.1--pyhdfd78af_1" - singularity = "quay.io/biocontainers/locidex:0.1.1--pyhdfd78af_1" - docker = "quay.io/biocontainers/locidex:0.1.1--pyhdfd78af_1" + singularity = "biocontainers/locidex:0.1.1--pyhdfd78af_1" + docker = "biocontainers/locidex:0.1.1--pyhdfd78af_1" min_evalue = params.lx_min_evalue min_dna_len = params.lx_min_dna_len min_aa_len = params.lx_min_aa_len @@ -249,7 +249,7 @@ params { fastp { fastq_ext = ".trimmed.fastq.gz" singularity = 'https://depot.galaxyproject.org/singularity/fastp%3A0.23.2--hb7a2d85_2' - docker = 'quay.io/biocontainers/fastp:0.23.2--hb7a2d85_2' + docker = 'biocontainers/fastp:0.23.2--hb7a2d85_2' html_ext = ".html" json_ext = ".json" report_tag = "FastP" @@ -296,7 +296,7 @@ params { hq = "--pacbio-hifi" // TODO all reads are marked as hifi } singularity = 'https://depot.galaxyproject.org/singularity/flye:2.9--py39h6935b12_1' - docker = 'quay.io/biocontainers/flye:2.9.2--py39h6935b12_0' + docker = 'biocontainers/flye:2.9.2--py39h6935b12_0' fasta_ext = ".fasta.gz" gfa_ext = ".gfa.gz" gv_ext = ".gv.gz" @@ -310,7 +310,7 @@ params { // SPADES options spades { singularity = 'https://depot.galaxyproject.org/singularity/spades:3.15.5--h95f258a_1' - docker = 'quay.io/biocontainers/spades:3.15.5--h95f258a_1' + docker = 'biocontainers/spades:3.15.5--h95f258a_1' outdir = "assembly" scaffolds_ext = ".scaffolds.fasta.gz" contigs_ext = ".contigs.fasta.gz" @@ -329,7 +329,7 @@ params { // TODO add to docs seqkit { singularity = 'https://depot.galaxyproject.org/singularity/seqkit:2.2.0--h9ee0642_0' - docker = 'quay.io/biocontainers/seqkit:2.2.0--h9ee0642_0' + docker = 'biocontainers/seqkit:2.2.0--h9ee0642_0' report_ext = ".tsv" fasta_ext = ".filtered.fasta.gz" filter_field = "max_len" @@ -341,7 +341,7 @@ params { // QUAST args quast{ singularity = 'https://depot.galaxyproject.org/singularity/quast%3A5.2.0--py39pl5321h4e691d4_3' // not all Quast containers work, might get file system error with BWA, if issue persists reads can be not passed to the module instead - docker = 'quay.io/biocontainers/quast:5.2.0--py39pl5321h4e691d4_3' + docker = 'biocontainers/quast:5.2.0--py39pl5321h4e691d4_3' suffix = "quast" report_base = "report" report_prefix = "transposed_" @@ -359,7 +359,7 @@ params { checkm { // TODO add to trouble shooting if checkm fails and provides EOF errors, to try changing the container singularity = 'https://depot.galaxyproject.org/singularity/checkm-genome%3A1.2.2--pyhdfd78af_1' - docker = 'quay.io/biocontainers/checkm-genome:1.2.2--pyhdfd78af_1' + docker = 'biocontainers/checkm-genome:1.2.2--pyhdfd78af_1' alignment_ext = ".genes.aln" results_ext = ".results.txt" tsv_ext = ".tsv" @@ -373,7 +373,7 @@ params { // Kraken args kraken { singularity = 'https://depot.galaxyproject.org/singularity/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:87fc08d11968d081f3e8a37131c1f1f6715b6542-0' - docker = 'quay.io/biocontainers/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:941789bd7fe00db16531c26de8bf3c5c985242a5-0' + docker = 'biocontainers/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:941789bd7fe00db16531c26de8bf3c5c985242a5-0' db = params.kraken2_db classified_suffix = "classified" unclassified_suffix = "unclassified" @@ -390,7 +390,7 @@ params { mlst { singularity = "https://depot.galaxyproject.org/singularity/mlst:2.19.0--hdfd78af_1" - docker = "quay.io/biocontainers/mlst:2.19.0--hdfd78af_1" + docker = "biocontainers/mlst:2.19.0--hdfd78af_1" args = "" tsv_ext = ".tsv" json_ext = ".json" @@ -399,7 +399,7 @@ params { mash { singularity = "https://depot.galaxyproject.org/singularity/mash:2.3--he348c14_1" - docker = 'quay.io/biocontainers/mash:2.3--he348c14_1' + docker = 'biocontainers/mash:2.3--he348c14_1' // going forward labeled with _ext include '.' mash_ext = ".screen" //TODO refactor out of utility workflow output_reads_ext = ".reads.screen" @@ -431,7 +431,7 @@ params { r_contaminants { // container contains minimap2 and samtools singularity = "https://depot.galaxyproject.org/singularity/mulled-v2-66534bcbb7031a148b13e2ad42583020b9cd25c4:3161f532a5ea6f1dec9be5667c9efc2afdac6104-0" - docker = "quay.io/biocontainers/mulled-v2-66534bcbb7031a148b13e2ad42583020b9cd25c4:3161f532a5ea6f1dec9be5667c9efc2afdac6104-0" + docker = "biocontainers/mulled-v2-66534bcbb7031a148b13e2ad42583020b9cd25c4:3161f532a5ea6f1dec9be5667c9efc2afdac6104-0" phix_fa = "" homo_sapiens_fa = "" pacbio_mg = "" @@ -468,7 +468,7 @@ params { racon { singularity = 'https://depot.galaxyproject.org/singularity/racon:1.4.20--h9a82719_1' - docker = 'quay.io/biocontainers/racon:1.4.20--h9a82719_1' + docker = 'biocontainers/racon:1.4.20--h9a82719_1' consensus_suffix = "_assembly_consensus.fasta" consensus_ext = ".fasta.gz" outdir = "polished" @@ -476,7 +476,7 @@ params { pilon { singularity = 'https://depot.galaxyproject.org/singularity/pilon%3A1.24--hdfd78af_0' - docker = 'quay.io/biocontainers/pilon:1.24--hdfd78af_0' + docker = 'biocontainers/pilon:1.24--hdfd78af_0' outdir = "pilon" fasta_ext = ".fasta.gz" fasta_outdir = "fasta" @@ -507,7 +507,7 @@ params { medaka { singularity = 'https://depot.galaxyproject.org/singularity/medaka%3A1.8.0--py38hdaa7744_0' - docker = 'quay.io/biocontainers/medaka:1.8.0--py38hdaa7744_0' + docker = 'biocontainers/medaka:1.8.0--py38hdaa7744_0' model = params.nanopore_chemistry fasta_ext = ".fa.gz" outdir = "medaka" @@ -516,7 +516,7 @@ params { unicycler { singularity = 'https://depot.galaxyproject.org/singularity/unicycler%3A0.5.0--py38h3b68952_2' - docker = 'quay.io/biocontainers/unicycler:0.5.0--py38h3b68952_2' + docker = 'biocontainers/unicycler:0.5.0--py38h3b68952_2' scaffolds_ext = ".scaffolds.fa.gz" assembly_ext = ".assembly.gfa.gz" log_ext = ".unicycler.log" @@ -527,7 +527,7 @@ params { mobsuite_recon { singularity = 'https://depot.galaxyproject.org/singularity/mob_suite%3A3.0.3--pyhdfd78af_0' - docker = 'quay.io/biocontainers/mob_suite:3.0.3--pyhdfd78af_0' + docker = 'biocontainers/mob_suite:3.0.3--pyhdfd78af_0' args = { "" } fasta_ext = ".fasta" results_ext = ".txt" @@ -538,8 +538,8 @@ params { } staramr { - singularity = "quay.io/biocontainers/staramr:0.10.0--pyhdfd78af_0" - docker = "quay.io/biocontainers/staramr:0.10.0--pyhdfd78af_0" + singularity = "biocontainers/staramr:0.10.0--pyhdfd78af_0" + docker = "biocontainers/staramr:0.10.0--pyhdfd78af_0" point_finder_db_default = null db = null tsv_ext = ".tsv" @@ -560,7 +560,7 @@ params { bakta { // TODO verify bakta version in scripts so that greater than 1.8 exists for force options singularity = 'https://depot.galaxyproject.org/singularity/bakta%3A1.8.1--pyhdfd78af_0' - docker = 'quay.io/biocontainers/bakta:1.8.1--pyhdfd78af_0' + docker = 'biocontainers/bakta:1.8.1--pyhdfd78af_0' db = params.bakta_db output_dir = "bakta" embl_ext = ".embl" @@ -580,7 +580,7 @@ params { bandage { singularity = 'https://depot.galaxyproject.org/singularity/bandage:0.8.1--hc9558a2_2' - docker = 'quay.io/biocontainers/bandage:0.8.1--hc9558a2_2' + docker = 'biocontainers/bandage:0.8.1--hc9558a2_2' svg_ext = ".svg" outdir = "bandage" @@ -592,7 +592,7 @@ params { ectyper { singularity = 'https://depot.galaxyproject.org/singularity/ectyper:1.0.0--pyhdfd78af_1' - docker = 'quay.io/biocontainers/ectyper:1.0.0--pyhdfd78af_1' + docker = 'biocontainers/ectyper:1.0.0--pyhdfd78af_1' log_ext = ".log" tsv_ext = ".tsv" txt_ext = ".txt" @@ -608,7 +608,7 @@ params { kleborate { singularity = 'https://depot.galaxyproject.org/singularity/kleborate:2.1.0--pyhdfd78af_1' - docker = 'quay.io/biocontainers/kleborate:2.1.0--pyhdfd78af_1' + docker = 'biocontainers/kleborate:2.1.0--pyhdfd78af_1' txt_ext = ".results.txt" report_tag = "Kleborate${params.subtyping_report.report_tag}" header_p = true @@ -617,7 +617,7 @@ params { spatyper { // TODO figure out what repeats input is singularity = 'https://depot.galaxyproject.org/singularity/spatyper:0.3.3--pyhdfd78af_3' - docker = 'quay.io/biocontainers/spatyper:0.3.3--pyhdfd78af_3' + docker = 'biocontainers/spatyper:0.3.3--pyhdfd78af_3' tsv_ext = ".tsv" report_tag = "SpaTyper${params.subtyping_report.report_tag}" header_p = true @@ -627,7 +627,7 @@ params { sistr { singularity = "https://depot.galaxyproject.org/singularity/sistr_cmd:1.1.1--pyh864c0ab_2" - docker = 'quay.io/biocontainers/sistr_cmd:1.1.1--pyh864c0ab_2' + docker = 'biocontainers/sistr_cmd:1.1.1--pyh864c0ab_2' tsv_ext = ".tab" allele_fasta_ext = ".allele.fasta" allele_json_ext = ".allele.json" @@ -639,7 +639,7 @@ params { lissero { singularity = 'https://depot.galaxyproject.org/singularity/lissero:0.4.9--py_0' - docker = 'quay.io/biocontainers/lissero:0.4.9--py_0' + docker = 'biocontainers/lissero:0.4.9--py_0' tsv_ext = ".tsv" report_tag = "LISSERO${params.subtyping_report.report_tag}" header_p = true @@ -648,7 +648,7 @@ params { shigeifinder { container_version = '1.3.2' // update version info with containers as it is not included in shigeifinder singularity = 'https://depot.galaxyproject.org/singularity/shigeifinder:1.3.2--pyhdfd78af_0' - docker = 'quay.io/biocontainers/shigeifinder:1.3.2--pyhdfd78af_0' + docker = 'biocontainers/shigeifinder:1.3.2--pyhdfd78af_0' tsv_ext = ".tsv" report_tag = "Shigeifinder${params.subtyping_report.report_tag}" header_p = true @@ -656,7 +656,7 @@ params { //shigatyper { // singularity = 'https://depot.galaxyproject.org/singularity/shigatyper%3A2.0.1--pyhdfd78af_0' - // docker = 'quay.io/biocontainers/shigatyper:2.0.1--pyhdfd78af_0' + // docker = 'biocontainers/shigatyper:2.0.1--pyhdfd78af_0' // tsv_ext = ".tsv" // report_tag = "ShigaTyper${params.subtyping_report.report_tag}" // //report_tag = params.subtyping_report.report_tag @@ -1019,6 +1019,14 @@ profiles { test { includeConfig 'conf/test.config' } } +// Set default registry for Apptainer, Docker, Podman and Singularity independent of -profile +// Will not be used unless Apptainer / Docker / Podman / Singularity are enabled +// Set to your registry if you have a mirror of containers +apptainer.registry = 'quay.io' +docker.registry = 'quay.io' +podman.registry = 'quay.io' +singularity.registry = 'quay.io' + plugins { //id 'nf-validation@2.0.0' id 'nf-validation@1.1.3' From 5f7c88fbf68c841adccb889eb100fdff96b003ef Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Thu, 11 Jul 2024 15:25:02 -0500 Subject: [PATCH 02/44] updated changelog --- CHANGELOG.md | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 6a9378c4..58d6bfc3 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,6 +3,13 @@ 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). +## Unreleased + +### `Changed` + +- Removed quay.io docker repo tags [PR 94](https://github.com/phac-nml/mikrokondo/pull/94) + + ## [0.3.0] - 2024-07-04 ### `Changed` From 86ca9aa4cdcae5911fd19bdfdd0411f96c2b9be0 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Thu, 11 Jul 2024 16:28:35 -0500 Subject: [PATCH 03/44] updated test snapshots --- .../local/qc_assemblies/qc_assemblies.nf.test.snap | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/tests/subworkflows/local/qc_assemblies/qc_assemblies.nf.test.snap b/tests/subworkflows/local/qc_assemblies/qc_assemblies.nf.test.snap index ba4f6864..72931e4c 100644 --- a/tests/subworkflows/local/qc_assemblies/qc_assemblies.nf.test.snap +++ b/tests/subworkflows/local/qc_assemblies/qc_assemblies.nf.test.snap @@ -27,7 +27,7 @@ }, { "singularity": "https://depot.galaxyproject.org/singularity/seqkit:2.2.0--h9ee0642_0", - "docker": "quay.io/biocontainers/seqkit:2.2.0--h9ee0642_0", + "docker": "biocontainers/seqkit:2.2.0--h9ee0642_0", "report_ext": ".tsv", "fasta_ext": ".filtered.fasta.gz", "filter_field": "max_len", @@ -51,7 +51,7 @@ }, { "singularity": "https://depot.galaxyproject.org/singularity/quast%3A5.2.0--py39pl5321h4e691d4_3", - "docker": "quay.io/biocontainers/quast:5.2.0--py39pl5321h4e691d4_3", + "docker": "biocontainers/quast:5.2.0--py39pl5321h4e691d4_3", "suffix": "quast", "report_base": "report", "report_prefix": "transposed_", @@ -72,7 +72,7 @@ }, { "singularity": "https://depot.galaxyproject.org/singularity/seqkit:2.2.0--h9ee0642_0", - "docker": "quay.io/biocontainers/seqkit:2.2.0--h9ee0642_0", + "docker": "biocontainers/seqkit:2.2.0--h9ee0642_0", "report_ext": ".tsv", "fasta_ext": ".filtered.fasta.gz", "filter_field": "max_len", @@ -114,7 +114,7 @@ }, { "singularity": "https://depot.galaxyproject.org/singularity/seqkit:2.2.0--h9ee0642_0", - "docker": "quay.io/biocontainers/seqkit:2.2.0--h9ee0642_0", + "docker": "biocontainers/seqkit:2.2.0--h9ee0642_0", "report_ext": ".tsv", "fasta_ext": ".filtered.fasta.gz", "filter_field": "max_len", @@ -138,7 +138,7 @@ }, { "singularity": "https://depot.galaxyproject.org/singularity/quast%3A5.2.0--py39pl5321h4e691d4_3", - "docker": "quay.io/biocontainers/quast:5.2.0--py39pl5321h4e691d4_3", + "docker": "biocontainers/quast:5.2.0--py39pl5321h4e691d4_3", "suffix": "quast", "report_base": "report", "report_prefix": "transposed_", @@ -159,7 +159,7 @@ }, { "singularity": "https://depot.galaxyproject.org/singularity/seqkit:2.2.0--h9ee0642_0", - "docker": "quay.io/biocontainers/seqkit:2.2.0--h9ee0642_0", + "docker": "biocontainers/seqkit:2.2.0--h9ee0642_0", "report_ext": ".tsv", "fasta_ext": ".filtered.fasta.gz", "filter_field": "max_len", @@ -182,6 +182,6 @@ "nf-test": "0.8.4", "nextflow": "23.04.0" }, - "timestamp": "2024-06-20T12:08:01.726320878" + "timestamp": "2024-07-11T16:26:45.559362978" } } \ No newline at end of file From 45b432280f344e6702649cf61d6178161a2b3466 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:10:54 -0500 Subject: [PATCH 04/44] fixed typos --- CHANGELOG.md | 6 ++++++ nextflow_schema.json | 10 +++++----- 2 files changed, 11 insertions(+), 5 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 6a9378c4..7893c719 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,6 +3,12 @@ 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). +## [0.3.1] - 2024-07-22 + +### `Fixed` + +- Fixed spelling issues issues in config values. See [PR XX](XX) + ## [0.3.0] - 2024-07-04 ### `Changed` diff --git a/nextflow_schema.json b/nextflow_schema.json index b7864817..a5d9e8d1 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -76,7 +76,7 @@ "properties": { "dehosting_idx": { "type": "string", - "description": "Minimpa2 index for dehosting and kitome removal", + "description": "Minimap2 index for dehosting and kitome removal", "pattern": "^\\S+$", "exists": true, "format": "file-path" @@ -404,7 +404,7 @@ }, "skip_metagenomic_detection": { "type": "boolean", - "description": "For samples to be analyzed as isolates" + "description": "Force samples to be analyzed as isolates" }, "skip_staramr": { "type": "boolean", @@ -429,7 +429,7 @@ "ec_opid": { "type": "number", "default": 90, - "description": "Minimum percent identity to determine O antigens prescence", + "description": "Minimum percent identity to determine O antigens presence", "minimum": 0, "maximum": 100 }, @@ -443,7 +443,7 @@ "ec_hpid": { "type": "number", "default": 95, - "description": "Miniumum percent identity to determine H antigens prescence", + "description": "Miniumum percent identity to determine H antigens presence", "minimum": 0, "maximum": 100 }, @@ -767,4 +767,4 @@ "$ref": "#/definitions/other" } ] -} \ No newline at end of file +} From 6d848b46d240cdcf13fb3a3ade97386f23a1db79 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:24:23 -0500 Subject: [PATCH 05/44] added spellchecking CI job --- .github/workflows/spellcheck.yml | 31 +++++++++++++++++++++++++++++++ 1 file changed, 31 insertions(+) create mode 100644 .github/workflows/spellcheck.yml diff --git a/.github/workflows/spellcheck.yml b/.github/workflows/spellcheck.yml new file mode 100644 index 00000000..da8d3d05 --- /dev/null +++ b/.github/workflows/spellcheck.yml @@ -0,0 +1,31 @@ + +name: Spellcheck Action + +on: + # Enabling manual test + # REF: https://stackoverflow.com/questions/58933155/manual-workflow-triggers-in-github-actions + workflow_dispatch: + push: + +jobs: + build: + name: Spellcheck + runs-on: ubuntu-latest + steps: + + # The checkout step + - uses: actions/checkout@v4 + + - uses: rojopolis/spellcheck-github-actions@v0 + name: Spellcheck + with: + source_files: README.md CHANGELOG.md + task_name: Markdown + output_file: spellcheck-output.txt + + - uses: actions/upload-artifact@v4 + if: '!cancelled()' + name: Archive spellcheck output + with: + name: Spellcheck artifact + path: spellcheck-output.txt From 023fdc087387ab1d624d194385de55c0f3764957 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:28:21 -0500 Subject: [PATCH 06/44] added spellcheck config --- .spellcheck.yaml | 18 ++++++++++++++++++ 1 file changed, 18 insertions(+) create mode 100644 .spellcheck.yaml diff --git a/.spellcheck.yaml b/.spellcheck.yaml new file mode 100644 index 00000000..f1676ea0 --- /dev/null +++ b/.spellcheck.yaml @@ -0,0 +1,18 @@ +matrix: +- name: Markdown + sources: + - '!venv/**/*.md|**/*.md' + default_encoding: utf-8 + aspell: + lang: en + dictionary: + encoding: utf-8 + pipeline: + - pyspelling.filters.markdown: + markdown_extensions: + - pymdownx.superfences + - pyspelling.filters.html: + comments: false + ignores: + - code + - pre From 91e8d11ace6c02b912873eb66a7eee65c214dc81 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:32:31 -0500 Subject: [PATCH 07/44] updated spellcheck config --- .spellcheck.yaml | 3 +++ CHANGELOG.md | 4 ++-- README.md | 10 +++++----- 3 files changed, 10 insertions(+), 7 deletions(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index f1676ea0..d4f01d51 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -16,3 +16,6 @@ matrix: ignores: - code - pre + - small + - a + - i diff --git a/CHANGELOG.md b/CHANGELOG.md index 7893c719..435f30f4 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,11 +3,11 @@ 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). -## [0.3.1] - 2024-07-22 +## Unreleased ### `Fixed` -- Fixed spelling issues issues in config values. See [PR XX](XX) +- Fixed spelling issues issues in config values. See [PR 95](https://github.com/phac-nml/mikrokondo/pull/95) ## [0.3.0] - 2024-07-04 diff --git a/README.md b/README.md index 9757d21b..dd1a2610 100644 --- a/README.md +++ b/README.md @@ -69,9 +69,9 @@ Nextflow is required to run mikrokondo (requires Linux), and instructions for it ## Step 2: Choose a Container Engine -Nextflow and Mikrokondo only supports running the pipeline using containers such as: Docker, Singularity (now apptainer), podman, gitpod, shifter and charliecloud. Currently only usage with Singularity has been fully tested, (Docker and Apptainer have only been partially tested) but support for each of the container services exists. +Nextflow and Mikrokondo only supports running the pipeline using containers such as: Docker, Singularity (now apptainer), podman, gitpod, shifter and charliecloud. Currently only usage with Singularity has been fully tested, (Docker and Apptainer have only been partially tested) but support for each of the container services exists. ->[!Note] +>[!Note] >Singularity was adopted by the Linux Foundation and is now called Apptainer. Singularity still exists, but it is likely newer installs will use Apptainer. ### Docker or Singularity? @@ -143,7 +143,7 @@ Under the usage section you can find example commands, instructions for configur ### Data Input/formats -Mikrokondo requires two things as input: +Mikrokondo requires two things as input: 1. **Sample files** - fastq and fasta must be in gzip format 2. **Sample sheet** - this FOFN (file of file names) contains sample names and allows user to combine read-sets. The following header fields are accepted: - sample @@ -153,7 +153,7 @@ Mikrokondo requires two things as input: - assembly For more information see the [useage docs](https://phac-nml.github.io/mikrokondo/usage/useage/). - + ### Output/Results All output files will be written into the `outdir` (specified by the user). More explicit tool results can be found in both the [Workflow](workflows/CleanAssemble/) and [Subworkflow](subworkflows/) sections of the docs. Here is a brief description of the outdir structure (though in brief the further into the structure you head, the further in the workflow the tool has been run): @@ -206,7 +206,7 @@ Add `--profile singularity` to switch from using docker by default to using sing ## Troubleshooting and FAQs: -Within release 0.1.0, Bakta is currently skipped however it can be enabled from the command line or within the nextflow.config (please check the docs for more information). It has been disabled by default due issues in using the latest bakta database releases due to an issue with `amr_finder` there are fixes available and older databases still work however they have not been tested. A user can still enable Bakta themselves or fix the database. More information is provided here: https://github.com/oschwengers/bakta/issues/268 +Within release 0.1.0, Bakta is currently skipped however it can be enabled from the command line or within the nextflow.config (please check the docs for more information). It has been disabled by default due issues in using the latest bakta database releases due to an issue with `amr_finder` there are fixes available and older databases still work however they have not been tested. A user can still enable Bakta themselves or fix the database. More information is provided here: https://github.com/oschwengers/bakta/issues/268 For a list of common issues or errors and their solutions, please read our [FAQ section](https://phac-nml.github.io/mikrokondo/troubleshooting/FAQ/). From c8e1348dd91b94eceea38b9053575fbc59a07be7 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:37:02 -0500 Subject: [PATCH 08/44] updated words list for spellchecking --- .spellcheck.yaml | 4 ++-- CHANGELOG.md | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index d4f01d51..60485997 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -7,6 +7,8 @@ matrix: lang: en dictionary: encoding: utf-8 + wordlists: + - .wordlist.txt pipeline: - pyspelling.filters.markdown: markdown_extensions: @@ -17,5 +19,3 @@ matrix: - code - pre - small - - a - - i diff --git a/CHANGELOG.md b/CHANGELOG.md index 435f30f4..637eefeb 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -63,7 +63,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Updated StarAMR point finder DB selection to resolve error when in db selection when a database is not selected addressing issue. See [PR 74](https://github.com/phac-nml/mikrokondo/pull/74) -- Fixed calculation of SeqtkBaseCount value include counts for both pairs of paird-end reads. See [PR 65](https://github.com/phac-nml/mikrokondo/pull/65). +- Fixed calculation of SeqtkBaseCount value include counts for both pairs of paired-end reads. See [PR 65](https://github.com/phac-nml/mikrokondo/pull/65). ## `Changed` @@ -78,7 +78,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### Changed - Changed default values for database parameters `--dehosting_idx`, `--mash_sketch`, `--kraken2_db`, and `--bakta_db` to null. See [PR 71](https://github.com/phac-nml/mikrokondo/pull/71) -- Enabled checking for existance of database files in JSON Schema to avoid issues with staging non-existent files in Azure. See [PR 71](https://github.com/phac-nml/mikrokondo/pull/71). +- Enabled checking for existence of database files in JSON Schema to avoid issues with staging non-existent files in Azure. See [PR 71](https://github.com/phac-nml/mikrokondo/pull/71). - Set `--kraken2_db` to be a required parameter for the pipeline. See [PR 71](https://github.com/phac-nml/mikrokondo/pull/71) - Hide bakta parameters from IRIDA Next UI. See [PR 71](https://github.com/phac-nml/mikrokondo/pull/71) From 14445b88502769285bc09102495be4a60d1dbbb4 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:37:57 -0500 Subject: [PATCH 09/44] added wordlist asset --- .wordlist.txt | 24 ++++++++++++++++++++++++ 1 file changed, 24 insertions(+) create mode 100644 .wordlist.txt diff --git a/.wordlist.txt b/.wordlist.txt new file mode 100644 index 00000000..916c8237 --- /dev/null +++ b/.wordlist.txt @@ -0,0 +1,24 @@ +ECTyper +IRIDA +SISTR +StarAMR +JSON +UI +Bakta +Nextflow +fastp +pointfinder +mikrokondo +subtyping +phac +nml +metagenomic +mikrokondo +StarAMR +readme +nf +iridanext +contig +contigs +Quast + From 6d451f56f24cd72fde5ca775ba0417357de1afed Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:45:41 -0500 Subject: [PATCH 10/44] updated spelcheck config --- .spellcheck.yaml | 3 +++ .wordlist.txt | 20 ++++++++++++++++++++ 2 files changed, 23 insertions(+) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index 60485997..1e4c7ad9 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -13,6 +13,9 @@ matrix: - pyspelling.filters.markdown: markdown_extensions: - pymdownx.superfences + - pymdownx.striphtml + comments: false + notes: false - pyspelling.filters.html: comments: false ignores: diff --git a/.wordlist.txt b/.wordlist.txt index 916c8237..b3a02793 100644 --- a/.wordlist.txt +++ b/.wordlist.txt @@ -21,4 +21,24 @@ iridanext contig contigs Quast +AMR +kat +genomic +bakta +SeqtkBaseCount +locidex +Kraken +params +param +minimap +irida +config +StackOverflow +maxRetries +samtools +QCSummary +QCMessage +Changelog +Biotechnol +doi From e274a46d88c613bed8b87e336d22daa22037d449 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:48:35 -0500 Subject: [PATCH 11/44] updated spellcheck config --- .spellcheck.yaml | 2 -- 1 file changed, 2 deletions(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index 1e4c7ad9..d3a84001 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -14,8 +14,6 @@ matrix: markdown_extensions: - pymdownx.superfences - pymdownx.striphtml - comments: false - notes: false - pyspelling.filters.html: comments: false ignores: From 053c37a43cbcb5541cda633ef896c9b5800152bd Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 14:55:41 -0500 Subject: [PATCH 12/44] updated markdown extensions --- .spellcheck.yaml | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index d3a84001..a6a251d4 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -10,10 +10,18 @@ matrix: wordlists: - .wordlist.txt pipeline: + - pyspelling.filters.context: + - open: '' + - close: - pyspelling.filters.markdown: markdown_extensions: - pymdownx.superfences - pymdownx.striphtml + - markdown.extensions.toc: + slugify: !!python/name:pymdownx.slugs.uslugify + permalink: "\ue157" + - markdown.extensions.admonition + - markdown.extensions.smarty - pyspelling.filters.html: comments: false ignores: From d65183d9c1039d5a9ed14b4f96e1e1234296e730 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:00:13 -0500 Subject: [PATCH 13/44] updated spellcheck yaml --- .spellcheck.yaml | 7 ++----- 1 file changed, 2 insertions(+), 5 deletions(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index a6a251d4..f06b5cbd 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -5,6 +5,7 @@ matrix: default_encoding: utf-8 aspell: lang: en + ignore-case: true dictionary: encoding: utf-8 wordlists: @@ -17,11 +18,7 @@ matrix: markdown_extensions: - pymdownx.superfences - pymdownx.striphtml - - markdown.extensions.toc: - slugify: !!python/name:pymdownx.slugs.uslugify - permalink: "\ue157" - - markdown.extensions.admonition - - markdown.extensions.smarty + - pymdownx.blocks - pyspelling.filters.html: comments: false ignores: From 3bf4e8aa58fbf9c9774869110540469b27a05ca9 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:01:25 -0500 Subject: [PATCH 14/44] updated yaml --- .spellcheck.yaml | 3 --- 1 file changed, 3 deletions(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index f06b5cbd..edfddca7 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -11,9 +11,6 @@ matrix: wordlists: - .wordlist.txt pipeline: - - pyspelling.filters.context: - - open: '' - - close: - pyspelling.filters.markdown: markdown_extensions: - pymdownx.superfences From 3b45a471a046bdf836a2d9abf48370664cadedbd Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:02:45 -0500 Subject: [PATCH 15/44] updated yaml --- .spellcheck.yaml | 1 - 1 file changed, 1 deletion(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index edfddca7..9a7ed123 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -15,7 +15,6 @@ matrix: markdown_extensions: - pymdownx.superfences - pymdownx.striphtml - - pymdownx.blocks - pyspelling.filters.html: comments: false ignores: From 2b13262d8dc04cac27317bced6ad78ba1aed0243 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:07:42 -0500 Subject: [PATCH 16/44] updated wordlist --- .wordlist.txt | 47 ++++++++++++++++++++++++++++++++++++++++++++++- README.md | 4 ++-- 2 files changed, 48 insertions(+), 3 deletions(-) diff --git a/.wordlist.txt b/.wordlist.txt index b3a02793..32ed6cba 100644 --- a/.wordlist.txt +++ b/.wordlist.txt @@ -41,4 +41,49 @@ QCMessage Changelog Biotechnol doi - +Shigella +Vibrio +Alneberg +Andreas +Ewels +Fillinger +Harshil +Maxime +Nahnsen +Paolo +Peltzer +Tommaso +Ulysse +Wilm +bioinformatics +https +oschwengers +Flye +pacbio +Nanopore +Illumina +FinalReads +FinalReports +PostProcessing +FinalAssembly +Subworkflow +outdir +useage +FOFN +fasta +fastq +gzip +speciation +GTDB +Apptainer +arounds +Apptainer +apptainer +charliecloud +gitpod +podman +shifter +aspc +gc +https +genotypic diff --git a/README.md b/README.md index dd1a2610..e099bff9 100644 --- a/README.md +++ b/README.md @@ -76,7 +76,7 @@ Nextflow and Mikrokondo only supports running the pipeline using containers such ### Docker or Singularity? -Docker or Singularity (Apptainer) Docker requires root privileges which can can make it a hassle to install on computing clusters (there are work arounds). Apptainer/Singularity does not, so running the pipeline using Apptainer/Singularity is the recommended method for running the pipeline. +Docker or Singularity (Apptainer) Docker requires root privileges which can can make it a hassle to install on computing clusters (there are workarounds). Apptainer/Singularity does not, so running the pipeline using Apptainer/Singularity is the recommended method for running the pipeline. ## Step 3: Install dependencies @@ -152,7 +152,7 @@ Mikrokondo requires two things as input: - long_reads - assembly -For more information see the [useage docs](https://phac-nml.github.io/mikrokondo/usage/useage/). +For more information see the [usage docs](https://phac-nml.github.io/mikrokondo/usage/useage/). ### Output/Results From 5b9443697feaed897c9f248b132e3e946d082dff Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:08:47 -0500 Subject: [PATCH 17/44] updated wordlist --- .wordlist.txt | 2 ++ README.md | 2 +- 2 files changed, 3 insertions(+), 1 deletion(-) diff --git a/.wordlist.txt b/.wordlist.txt index 32ed6cba..2b2eacb3 100644 --- a/.wordlist.txt +++ b/.wordlist.txt @@ -87,3 +87,5 @@ aspc gc https genotypic +bioinformatic +pre diff --git a/README.md b/README.md index e099bff9..8883c57f 100644 --- a/README.md +++ b/README.md @@ -93,7 +93,7 @@ Besides the Nextflow run time (requires Java), and container engine the dependen - [GTDB Mash Sketch](https://zenodo.org/record/8408361): required for speciation and determination if sample is metagenomic - [Decontamination Index](https://zenodo.org/record/8408557): Required for decontamination of reads (it is simply a minimap2 index) -- [Kraken2 nt database](https://benlangmead.github.io/aws-indexes/k2): Required for binning of metagenommic data and is an alternative to using Mash for speciation +- [Kraken2 nt database](https://benlangmead.github.io/aws-indexes/k2): Required for binning of metagenomic data and is an alternative to using Mash for speciation - [Bakta database](https://zenodo.org/record/7669534): Running Bakta is optional and there is a light database option, however the full one is recommended. You will have to unzip and un-tar the database for usage. You can skip running Bakta however making the requirement of downloading this database **optional**. - [StarAMR database](https://github.com/phac-nml/staramr#database-build): Running StarAMR is optional and requires downloading the StarAMR databases. Also if you wish to avoid downloading the database, the container for StarAMR has a database included which mikrokondo will default to using if one is not specified making this requirement **optional**. From f54729600d0c8e50ca38283d1b68fa557e9a96b4 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:09:49 -0500 Subject: [PATCH 18/44] updated spellcheck config --- .spellcheck.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index 9a7ed123..0c0644dd 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -1,7 +1,7 @@ matrix: - name: Markdown sources: - - '!venv/**/*.md|**/*.md' + - '!venv/**/*.md|**/*.md/*.config' default_encoding: utf-8 aspell: lang: en From 8003dc55d216f801dc2357b134db1abd7bba6197 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:11:02 -0500 Subject: [PATCH 19/44] updated spellcheck config --- .spellcheck.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index 0c0644dd..7f9327f5 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -1,7 +1,7 @@ matrix: - name: Markdown sources: - - '!venv/**/*.md|**/*.md/*.config' + - '!venv/**/*.md|**/*.md/*.config/nextflow_schema.json' default_encoding: utf-8 aspell: lang: en From ab9271c33f8ab3cd2c2f37fbfe91ffedaa560bf7 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:14:20 -0500 Subject: [PATCH 20/44] updated spellcheck config --- .spellcheck.yaml | 6 +++++- nextflow_schema.json | 2 +- 2 files changed, 6 insertions(+), 2 deletions(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index 7f9327f5..63adb4b8 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -1,7 +1,7 @@ matrix: - name: Markdown sources: - - '!venv/**/*.md|**/*.md/*.config/nextflow_schema.json' + - '!venv/**/*.md|**/*.md/' default_encoding: utf-8 aspell: lang: en @@ -21,3 +21,7 @@ matrix: - code - pre - small +- name: javascript + pipeline: + sources: + - "nextflow_schema.json" diff --git a/nextflow_schema.json b/nextflow_schema.json index a5d9e8d1..64129700 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -24,7 +24,7 @@ "mimetype": "text/csv", "pattern": "^\\S+\\.csv$", "description": "Path to comma-separated file containing information about the samples in the experiment.", - "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row.", + "help_text": "You will need to create a file with information about the samples in your experiment before running the pipeline.", "fa_icon": "fas fa-file-csv" }, "outdir": { From ceff7699d0b4c8524d13c581472bfbf3e54d1159 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:15:41 -0500 Subject: [PATCH 21/44] updated spellcheck config --- .spellcheck.yaml | 6 +----- 1 file changed, 1 insertion(+), 5 deletions(-) diff --git a/.spellcheck.yaml b/.spellcheck.yaml index 63adb4b8..e8d82c7d 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -1,7 +1,7 @@ matrix: - name: Markdown sources: - - '!venv/**/*.md|**/*.md/' + - '!venv/**/*.md|**/*.md|nextflow_schema.json' default_encoding: utf-8 aspell: lang: en @@ -21,7 +21,3 @@ matrix: - code - pre - small -- name: javascript - pipeline: - sources: - - "nextflow_schema.json" From c06e60af2dc7a10868f42f44edec8652877cd99f Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:16:45 -0500 Subject: [PATCH 22/44] updated actions --- .github/workflows/spellcheck.yml | 2 +- .spellcheck.yaml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/spellcheck.yml b/.github/workflows/spellcheck.yml index da8d3d05..54747fd4 100644 --- a/.github/workflows/spellcheck.yml +++ b/.github/workflows/spellcheck.yml @@ -19,7 +19,7 @@ jobs: - uses: rojopolis/spellcheck-github-actions@v0 name: Spellcheck with: - source_files: README.md CHANGELOG.md + source_files: README.md CHANGELOG.md nextflow_schema.json task_name: Markdown output_file: spellcheck-output.txt diff --git a/.spellcheck.yaml b/.spellcheck.yaml index e8d82c7d..9a7ed123 100644 --- a/.spellcheck.yaml +++ b/.spellcheck.yaml @@ -1,7 +1,7 @@ matrix: - name: Markdown sources: - - '!venv/**/*.md|**/*.md|nextflow_schema.json' + - '!venv/**/*.md|**/*.md' default_encoding: utf-8 aspell: lang: en From 2961267092dbd9225a032bad0febd52323b726d2 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:19:44 -0500 Subject: [PATCH 23/44] updated word list --- .wordlist.txt | 72 ++++++++++++++++++++++++++++++++++++++++++++ nextflow_schema.json | 4 +-- 2 files changed, 74 insertions(+), 2 deletions(-) diff --git a/.wordlist.txt b/.wordlist.txt index 2b2eacb3..fae50d5b 100644 --- a/.wordlist.txt +++ b/.wordlist.txt @@ -89,3 +89,75 @@ https genotypic bioinformatic pre +AminoAcid +Archae +CPUs +CheckM +Eukaryotic +Gloval +Kmer +MLST +Miniumum +PathCheck +Seemann's +Torsten +Za +abricate +allOf +ambig +autodetection +cgMLST +cgmlst +checkm +coli +configs +copyNoFollow +cov +cpus +csv +dedup +deduplication +dehosting +enum +evalue +fas +fp +githubusercontent +hifi +hpcov +hpid +ident +identiy +idx +kitome +kmer +longread +lx +mh +mimetype +mlst +mobrecon +nNote +nTypically +opcov +opid +phred +plaintext +plasmid +polyG +polyX +polyg +polyx +rellink +repo +runtime +seqs +serotyping +slurm +snps +symlink +tracedir +unicycler +validationFailUnrecognisedParams +validationShowHiddenParams +zA diff --git a/nextflow_schema.json b/nextflow_schema.json index 64129700..63c314cb 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -291,7 +291,7 @@ "fa_icon": "far fa-check-circle", "description": "Validation of parameters fails when an unrecognised parameter is found.", "hidden": true, - "help_text": "By default, when an unrecognised parameter is found, it returns a warinig." + "help_text": "By default, when an unrecognised parameter is found, it returns a warning." }, "show_hidden_params": { "type": "boolean", @@ -590,7 +590,7 @@ "lx_max_aa_len": { "type": "integer", "default": 10000000, - "description": "Gloval maximum query length of AminoAcid strand.", + "description": "Global maximum query length of AminoAcid strand.", "minimum": 10 }, "lx_min_dna_ident": { From fd8a69033b98c3ca4c161a11547cabc486a61dd3 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 15:50:34 -0500 Subject: [PATCH 24/44] updated test params to use threads instead --- tests/nextflow.config | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/tests/nextflow.config b/tests/nextflow.config index 8ab2078a..6595ce17 100644 --- a/tests/nextflow.config +++ b/tests/nextflow.config @@ -5,7 +5,8 @@ */ params.max_memory = "2.GB" -params.max_cpus = 1 +//params.max_cpus = 1 +params.threads = 1 params.fastp.illumina.args = "-Q" From f4d904ab8a15bda3864dfb68dda5570338c573b2 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Mon, 22 Jul 2024 16:09:09 -0500 Subject: [PATCH 25/44] reverted parameter --- tests/nextflow.config | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/tests/nextflow.config b/tests/nextflow.config index 6595ce17..8ab2078a 100644 --- a/tests/nextflow.config +++ b/tests/nextflow.config @@ -5,8 +5,7 @@ */ params.max_memory = "2.GB" -//params.max_cpus = 1 -params.threads = 1 +params.max_cpus = 1 params.fastp.illumina.args = "-Q" From 325b040c390d214d413256ddd203322eccd047a9 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Tue, 23 Jul 2024 13:18:46 -0500 Subject: [PATCH 26/44] updated test parameters --- .../subworkflows/local/qc_assemblies/qc_assemblies.nf.test | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/tests/subworkflows/local/qc_assemblies/qc_assemblies.nf.test b/tests/subworkflows/local/qc_assemblies/qc_assemblies.nf.test index 03760b45..b3c0b50a 100644 --- a/tests/subworkflows/local/qc_assemblies/qc_assemblies.nf.test +++ b/tests/subworkflows/local/qc_assemblies/qc_assemblies.nf.test @@ -34,6 +34,8 @@ nextflow_workflow { skip_checkm = true skip_mlst = true + max_memory = "2.GB" + max_cpus = 1 } } @@ -90,6 +92,8 @@ nextflow_workflow { skip_checkm = true skip_mlst = true + max_memory = "2.GB" + max_cpus = 1 } } @@ -136,6 +140,8 @@ nextflow_workflow { skip_checkm = true skip_mlst = true + max_memory = "2.GB" + max_cpus = 1 } } From 0c3bb58743069808f65928680f5bd70f28798695 Mon Sep 17 00:00:00 2001 From: Matthew Wells <76452933+mattheww95@users.noreply.github.com> Date: Wed, 24 Jul 2024 11:03:22 -0500 Subject: [PATCH 27/44] Update nextflow_schema.json --- nextflow_schema.json | 38 +++++++++++++++++++------------------- 1 file changed, 19 insertions(+), 19 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 63c314cb..cdccd3ac 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -396,7 +396,7 @@ }, "skip_mlst": { "type": "boolean", - "description": "Skip classic 7gene MLST (Uses Torsten Seemann's mlst)" + "description": "Skip classic 7 gene MLST (Uses Torsten Seemann's mlst)" }, "skip_mobrecon": { "type": "boolean", @@ -404,7 +404,7 @@ }, "skip_metagenomic_detection": { "type": "boolean", - "description": "Force samples to be analyzed as isolates" + "description": "Skip metagenomic detection. (Forces samples to be analyzed as if they were isolates)" }, "skip_staramr": { "type": "boolean", @@ -477,7 +477,7 @@ "fastp_options": { "title": "Fastp options", "type": "object", - "description": "Options to fastp for read qa/qc", + "description": "Options to pass to FastP for read QA/QC", "default": "", "properties": { "fp_average_quality": { @@ -490,69 +490,69 @@ "type": "integer", "default": 15, "minimum": 1, - "description": "the mean quality requirement option shared by cut_front, cut_tail or cut_sliding", + "description": "The mean quality requirement option shared by cut_front, cut_tail or cut_sliding", "maximum": 36 }, "fp_cut_tail_window_size": { "type": "integer", "default": 4, "minimum": 1, - "description": "the window size option shared by cut_front, cut_tail or cut_sliding.", + "description": "The window size option shared by cut_front, cut_tail or cut_sliding.", "maximum": 1000 }, "fp_complexity_threshold": { "type": "integer", "default": 20, "minimum": 0, - "description": "the threshold for low complexity filter", + "description": "The threshold for low complexity filter", "maximum": 100 }, "fp_qualified_phred": { "type": "integer", "default": 15, "minimum": 0, - "description": "the quality value that a base is qualified." + "description": "The quality value that a base is qualified." }, "fp_unqualified_percent_limit": { "type": "integer", "default": 40, "minimum": 0, "maximum": 100, - "description": "how many percents of bases are allowed to be unqualified" + "description": "The percentage of bases that are allowed to be unqualified" }, "fp_polyg_min_len": { "type": "integer", "default": 10, "minimum": 1, - "description": "the minimum length to detect polyG in the read tail" + "description": "The minimum length to detect polyG in the read tail" }, "fp_polyx_min_len": { "type": "integer", "default": 10, - "description": "the minimum length to detect polyX in the read tail", + "description": "The minimum length to detect polyX in the read tail", "minimum": 1 }, "fp_illumina_length_min": { "type": "integer", "default": 35, "minimum": 0, - "description": "reads shorter than length_required will be discarded" + "description": "Reads shorter than length_required will be discarded" }, "fp_illumina_length_max": { "type": "integer", "default": 400, "minimum": 0, - "description": "reads longer than length_limit will be discarded, 0 means no limitation." + "description": "Reads longer than length_limit will be discarded, 0 means no limitation." }, "fp_single_end_length_min": { "type": "integer", "default": 1000, "minimum": 0, - "description": "same as fp_illumina_length_min but for single-end data. reads shorter than length_required will be discarded" + "description": "Same as fp_illumina_length_min but for single-end data. reads shorter than length_required will be discarded" }, "fp_dedup_reads": { "type": "boolean", - "description": "enable deduplication to drop the duplicated reads/pairs" + "description": "Enable deduplication to drop the duplicated reads/pairs" } } }, @@ -578,7 +578,7 @@ "lx_min_aa_len": { "type": "integer", "default": 1, - "description": "Global minimum query length of an AminoAcid strand.", + "description": "Global minimum query length of an Amino Acid strand.", "minimum": 1 }, "lx_max_dna_len": { @@ -590,7 +590,7 @@ "lx_max_aa_len": { "type": "integer", "default": 10000000, - "description": "Global maximum query length of AminoAcid strand.", + "description": "Global maximum query length of Amino Acid strand.", "minimum": 10 }, "lx_min_dna_ident": { @@ -603,7 +603,7 @@ "lx_min_aa_ident": { "type": "number", "default": 80, - "description": "Global minimum minimum AminoAcid percent identiy required for match. (Float value)", + "description": "Global minimum Amino Acid percent identiy required for match. (Float value)", "minimum": 0, "maximum": 100 }, @@ -617,14 +617,14 @@ "lx_min_aa_match_cov": { "type": "number", "default": 80, - "description": "Global minimum AminoAcid hit coverage identity required for match. (float)", + "description": "Global minimum Amino Acid hit coverage identity required for match. (float)", "minimum": 0, "maximum": 100 }, "lx_max_target_seqs": { "type": "integer", "default": 10, - "description": "Maximum number of sequence hits per a query", + "description": "Maximum number of sequence hits per query", "minimum": 1 }, "lx_extraction_mode": { From 3bc525fd10d3218a6ba0c3923e115e1340831c2b Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Thu, 25 Jul 2024 10:47:20 -0500 Subject: [PATCH 28/44] added additional schema to spell checking and fixed reversion in spelling issue --- .github/workflows/spellcheck.yml | 2 +- nextflow_schema.json | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/spellcheck.yml b/.github/workflows/spellcheck.yml index 54747fd4..15c0aad2 100644 --- a/.github/workflows/spellcheck.yml +++ b/.github/workflows/spellcheck.yml @@ -19,7 +19,7 @@ jobs: - uses: rojopolis/spellcheck-github-actions@v0 name: Spellcheck with: - source_files: README.md CHANGELOG.md nextflow_schema.json + source_files: README.md CHANGELOG.md nextflow_schema.json assets/schema_input.json task_name: Markdown output_file: spellcheck-output.txt diff --git a/nextflow_schema.json b/nextflow_schema.json index cdccd3ac..eec61fa2 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -610,7 +610,7 @@ "lx_min_dna_match_cov": { "type": "number", "default": 80, - "description": "Gloval minimum DNA percent hit coverage identity required for match. (float)", + "description": "Global minimum DNA percent hit coverage identity required for match. (float)", "minimum": 0.001, "maximum": 100 }, From fd2df255101b37251d8683cb9a7c773126efc801 Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Thu, 25 Jul 2024 10:53:44 -0500 Subject: [PATCH 29/44] updated words list --- .wordlist.txt | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/.wordlist.txt b/.wordlist.txt index fae50d5b..5a62d6b3 100644 --- a/.wordlist.txt +++ b/.wordlist.txt @@ -161,3 +161,10 @@ unicycler validationFailUnrecognisedParams validationShowHiddenParams zA +kondo +gz +fq +ast +dependentRequired +errorMessage +Samplesheet From 12b5b54e53a36b19b2a346abc176ccba59ce653c Mon Sep 17 00:00:00 2001 From: Matthew Wells Date: Thu, 8 Aug 2024 13:49:38 -0500 Subject: [PATCH 30/44] updated dev sketch for additional tests --- tests/data/databases/mash.msh | Bin 41240 -> 49456 bytes 1 file changed, 0 insertions(+), 0 deletions(-) diff --git a/tests/data/databases/mash.msh b/tests/data/databases/mash.msh index 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Subject: [PATCH 31/44] updated vibrio test data --- .../fake_contigs/vibrio_cholerae/st_120.fa.gz | Bin 0 -> 1188 bytes .../samplesheet-test-from-assemblies-vibrio.csv | 2 ++ 2 files changed, 2 insertions(+) create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_120.fa.gz create mode 100644 tests/data/samplesheets/samplesheet-test-from-assemblies-vibrio.csv diff --git a/tests/data/fake_contigs/vibrio_cholerae/st_120.fa.gz b/tests/data/fake_contigs/vibrio_cholerae/st_120.fa.gz new file mode 100644 index 0000000000000000000000000000000000000000..1d488034ed0cbb6f4975fb76cf4d6a55601084d0 GIT binary patch literal 1188 zcmV;V1Y7$biwFps9JOWu19Nm=F)}bNW?=wzmcfo5MGS=Rd6-{WL_l1SjD>uHlkY2} zAdpZ{6eWkeJzZZ_Z#X1Lb~Dq{?Y7J1vVZ>L?LUvFAD;jE{Nb0!_dh+qd;9m}&FklP ze}4S+@$~%u-;ecp^W*dTPal4JJe~K?ANuj#>sMVneg4h)sp<2&Rde3YPn{2EZO@Aq zTR&6$*1}mYPEDOpyIR!Vvv?L(rjD^=r&k|zP)D^cqxzzqJGw<*=j?Aeb57Of^>`sq z&cfcjG7u)wy#f5=SmUCvh#ieAGpDS zR#-5PSm-aQH#l%<3tkA47o(>ktH#?3lj*Ldpf21L=17 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/dev/null +++ b/tests/data/samplesheets/samplesheet-test-from-assemblies-vibrio.csv @@ -0,0 +1,2 @@ +sample,fastq_1,fastq_2,long_reads,assembly +salmonella_GCA_000008105,,,,https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/fake_contigs/vibrio_cholerae/st_120.fa.gz From fad2c7117e7bf97a9e2b02ba1abc62d2ebfd3f98 Mon Sep 17 00:00:00 2001 From: Matthew Wells <76452933+mattheww95@users.noreply.github.com> Date: Thu, 8 Aug 2024 14:58:04 -0500 Subject: [PATCH 32/44] Update samplesheet-test-from-assemblies-vibrio.csv --- .../samplesheets/samplesheet-test-from-assemblies-vibrio.csv | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/data/samplesheets/samplesheet-test-from-assemblies-vibrio.csv b/tests/data/samplesheets/samplesheet-test-from-assemblies-vibrio.csv index f5d48770..98a1f026 100644 --- a/tests/data/samplesheets/samplesheet-test-from-assemblies-vibrio.csv +++ b/tests/data/samplesheets/samplesheet-test-from-assemblies-vibrio.csv @@ -1,2 +1,2 @@ sample,fastq_1,fastq_2,long_reads,assembly -salmonella_GCA_000008105,,,,https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/fake_contigs/vibrio_cholerae/st_120.fa.gz +st_120,,,,https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/fake_contigs/vibrio_cholerae/st_120.fa.gz From ed9cade48fe0dbdd990d9a610308c67d5059acc2 Mon Sep 17 00:00:00 2001 From: Matthew Wells <76452933+mattheww95@users.noreply.github.com> Date: Fri, 23 Aug 2024 12:44:42 -0500 Subject: [PATCH 33/44] Update/locidex (#96) * starting locidex database integrations * updated added new files * updated locidex db identification * updated automated allele selection * updated todos * added test data for locidex databases, tests should still function: * updated nextflow schema.json * Removed tests for comparing updates for old and new locidex profiles Perhaps the relevant fields should be sub set out * removed dead test file * updated test profile * restrucutured file staging for locidex select * started creation of real tests for locidex workflow * updated locidex test data * updated locidex workflow and tests * updated docker container * addressed PR issues, still more work to be done * updated database selection functions to get an optimal match * added skipped allele calling to test config * updated test conditions * updated test files * updated locidex select paths * removed trailing whitespace * updated tests to include passing cases * added locidex summary process * updated fixe issues with integer sizing * debugging summary test * Added field for reportable alleles * updated reportable loci test * updated locidex summary tests * updated missing allelels JSON type * upated not database selected output * updated IRIDANEXT config for locidex values * updated locidex end-to-end tests * updated locations of locidex test * zipped and updated sample datasets * upated locidex end to end tests * fixed typos in change log * updated locidex tests * cleaned up datebase name parsing * fixed code comment * updated code comments * made updates on PR comments * normalized output for iridanext across allele scheme input options * updated test cases * updated locidex_select tests to match updated interface * updated test to work in github actions * removed sneaky todo * updating issues identified and regression in kraken2 header parsing * reverted zipped file handling * fixed regression locidex select * removed repeated variables * updated staging of report input to locidex summarize * updated file parsing in locidex summarize Thank you Aaron! * updated changelog * extracted inline code in function * bumped locidex container * updated final todos * updated options to locidex_select test to terminate processes on failure --- CHANGELOG.md | 10 + conf/irida_next.config | 14 + conf/modules.config | 21 +- conf/test.config | 2 +- modules/local/locidex_report.nf | 6 +- modules/local/locidex_search.nf | 3 +- modules/local/locidex_select.nf | 320 + modules/local/locidex_summarize.nf | 95 + modules/local/select_pointfinder.nf | 3 +- nextflow.config | 41 +- nextflow_schema.json | 7 + subworkflows/local/locidex.nf | 79 +- .../blast/nucleotide/nucleotide.fasta | 0 .../blast/nucleotide/nucleotide.ndb | Bin .../blast/nucleotide/nucleotide.nhr | Bin .../blast/nucleotide/nucleotide.nin | Bin .../blast/nucleotide/nucleotide.njs | 0 .../blast/nucleotide/nucleotide.not | Bin .../blast/nucleotide/nucleotide.nsq | Bin .../blast/nucleotide/nucleotide.ntf | Bin .../blast/nucleotide/nucleotide.nto | Bin .../locidex_salm/blast/protein/protein.fasta | 0 .../locidex_salm/blast/protein/protein.ndb | Bin .../locidex_salm/blast/protein/protein.nhr | Bin .../locidex_salm/blast/protein/protein.nin | Bin .../locidex_salm/blast/protein/protein.njs | 0 .../locidex_salm/blast/protein/protein.not | Bin .../locidex_salm/blast/protein/protein.nsq | Bin .../locidex_salm/blast/protein/protein.ntf | Bin .../locidex_salm/blast/protein/protein.nto | Bin .../locidex_dbs/locidex_salm/config.json | 12 + .../{ => locidex_dbs}/locidex_salm/meta.json | 0 .../locidex_dbs/locidex_salm/results.json | 15 + .../blast/nucleotide/nucleotide.fasta | 1646 ++ .../blast/nucleotide/nucleotide.ndb | Bin 0 -> 20480 bytes .../blast/nucleotide/nucleotide.nhr | Bin 0 -> 54903 bytes .../blast/nucleotide/nucleotide.nin | Bin 0 -> 10008 bytes .../blast/nucleotide/nucleotide.njs | 22 + .../blast/nucleotide/nucleotide.not | Bin 0 -> 9884 bytes .../blast/nucleotide/nucleotide.nsq | Bin 0 -> 98373 bytes .../blast/nucleotide/nucleotide.ntf | Bin 0 -> 16384 bytes .../blast/nucleotide/nucleotide.nto | Bin 0 -> 3296 bytes .../locidex_vc/blast/protein/protein.fasta | 1646 ++ .../locidex_vc/blast/protein/protein.pdb | Bin 0 -> 20480 bytes .../locidex_vc/blast/protein/protein.phr | Bin 0 -> 54903 bytes .../locidex_vc/blast/protein/protein.pin | Bin 0 -> 6704 bytes .../locidex_vc/blast/protein/protein.pjs | 22 + .../locidex_vc/blast/protein/protein.pot | Bin 0 -> 9884 bytes .../locidex_vc/blast/protein/protein.psq | Bin 0 -> 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locidex_dbs}/locidex_salm/blast/nucleotide/nucleotide.nin (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/nucleotide/nucleotide.njs (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/nucleotide/nucleotide.not (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/nucleotide/nucleotide.nsq (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/nucleotide/nucleotide.ntf (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/nucleotide/nucleotide.nto (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.fasta (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.ndb (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.nhr (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.nin (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.njs (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.not (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.nsq (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.ntf (100%) rename tests/data/databases/{ => locidex_dbs}/locidex_salm/blast/protein/protein.nto (100%) create mode 100755 tests/data/databases/locidex_dbs/locidex_salm/config.json rename tests/data/databases/{ => locidex_dbs}/locidex_salm/meta.json (100%) create mode 100755 tests/data/databases/locidex_dbs/locidex_salm/results.json create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/blast/nucleotide/nucleotide.fasta create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/blast/nucleotide/nucleotide.ndb create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/blast/nucleotide/nucleotide.nhr create mode 100644 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create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/blast/protein/protein.pot create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/blast/protein/protein.psq create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/blast/protein/protein.ptf create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/blast/protein/protein.pto create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/config.json create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/meta.json create mode 100644 tests/data/databases/locidex_dbs/locidex_vc/results.json create mode 100644 tests/data/databases/locidex_dbs/locidex_vc_2/config.json create mode 100644 tests/data/databases/locidex_dbs/locidex_vc_2/meta.json create mode 100644 tests/data/databases/locidex_dbs/locidex_vc_2/results.json create mode 100644 tests/data/databases/locidex_dbs/manifest.json delete mode 100755 tests/data/databases/locidex_salm/config.json delete mode 100755 tests/data/databases/locidex_salm/results.json create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_176.fa.gz create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_190.fa.gz create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_243.fa.gz create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_25.fa.gz create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_284.fa.gz create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_307.fa.gz create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_32.fa.gz create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_61.fa.gz create mode 100644 tests/data/fake_contigs/vibrio_cholerae/st_8.fa.gz delete mode 100644 tests/data/profiles/salmonella_GCA_000008105.expected_profile.json.gz create mode 100644 tests/modules/local/locidex_select/locidex_select.nf.test create mode 100644 tests/subworkflows/local/locidex/locidex.nf.test diff --git a/CHANGELOG.md b/CHANGELOG.md index 637eefeb..0f3057fe 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,6 +9,16 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Fixed spelling issues issues in config values. See [PR 95](https://github.com/phac-nml/mikrokondo/pull/95) +- Fixed the headers specified in the nextflow.config file for Kraken2. See [PR 96](https://github.com/phac-nml/mikrokondo/pull/96) + +### `Added` + +- Updated locidex to version 0.2.3. See [PR 96](https://github.com/phac-nml/mikrokondo/pull/96) + +- Added module for automatic selection of locidex databases through configuration of a locidex database collection. See [PR 96](https://github.com/phac-nml/mikrokondo/pull/96) + +- Added module for summary of basic allele metrics, listing of missing alleles and reporting of specific alleles. See [PR 96](https://github.com/phac-nml/mikrokondo/pull/96) + ## [0.3.0] - 2024-07-04 ### `Changed` diff --git a/conf/irida_next.config b/conf/irida_next.config index 8de000de..9f042d7c 100755 --- a/conf/irida_next.config +++ b/conf/irida_next.config @@ -33,6 +33,7 @@ iridanext { "**/Assembly/Subtyping/SISTR/*.sistr.allele.subtyping.json", "**/Assembly/Subtyping/SISTR/*.sistr.cgmlst.subtyping.csv", "**/Assembly/Subtyping/Locidex/Report/*.mlst.subtyping.json.gz", + "**/Assembly/Subtyping/Locidex/Summary/*.locidex.summary.json", "**/FinalReports/FlattenedReports/*.flat_sample.json.gz", "**/Assembly/Annotation/Abricate/*abricate.annotation.txt", "**/Assembly/Annotation/Mobsuite/Recon/*/*mobtyper_results*.txt", @@ -64,6 +65,12 @@ iridanext { "meta.downsampled" : "Downsampled", "SpeciesTopHit" : "predicted_identification_name", "IdentificationMethod" : "predicted_identification_method", + "LocidexDatabaseInformation.db_name" : "locidex_db_name", + "LocidexDatabaseInformation.db_date" : "locidex_db_date", + "LocidexDatabaseInformation.db_version" : "locidex_db_version", + "LocidexSummary.TotalLoci" : "total_loci", + "LocidexSummary.AllelesPresent" : "count_loci_found", + "LocidexSummary.MissingAllelesCount" : "count_loci_missing", "ECTyperSubtyping.0.Database" : "ECTyper Database", "ECTyperSubtyping.0.Evidence" : "ECTyper Evidence", "ECTyperSubtyping.0.GeneCoverages(%)" : "ECTyper GeneCoverages (%)", @@ -145,6 +152,13 @@ iridanext { "IdentificationMethod", "meta.downsampled", "SpeciesTopHit", + "AlleleSchemeUsed", + "LocidexDatabaseInformation.db_name", + "LocidexDatabaseInformation.db_date", + "LocidexDatabaseInformation.db_version", + "LocidexSummary.TotalLoci", + "LocidexSummary.AllelesPresent", + "LocidexSummary.MissingAllelesCount", "ECTyperSubtyping.0.Database", "ECTyperSubtyping.0.Evidence", "ECTyperSubtyping.0.GeneCoverages(%)", diff --git a/conf/modules.config b/conf/modules.config index 35fb9465..beedf128 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -159,6 +159,26 @@ process { errorStrategy = "ignore" } + withName: LOCIDEX_SELECT { + executor = 'local' + publishDir = [ + mode: params.publish_dir_mode, + path: { ["${task.assembly_subtyping_directory_name}", "Locidex", "Select"].join(File.separator) }, + pattern: "*.json", + saveAs: { filename -> filename.equals('versions.yml') ? null : reformat_output(filename, null, "locidex.db", meta) } + ] + } + + withName: LOCIDEX_SUMMARIZE { + executor = 'local' + publishDir = [ + mode: params.publish_dir_mode, + path: { ["${task.assembly_subtyping_directory_name}", "Locidex", "Summary"].join(File.separator) }, + pattern: "*.json", + saveAs: { filename -> filename.equals('versions.yml') ? null : reformat_output(filename, null, "locidex.summary", meta) } + ] + } + withName: REPORT_AGGREGATE { ext.parameters = params.python3 cache = 'false' // Resume does not work on module, if enabled a warning is thrown @@ -178,7 +198,6 @@ process { ] } - withName: BIN_KRAKEN2 { ext.parameters = params.python3 maxForks = 20 diff --git a/conf/test.config b/conf/test.config index 1949a029..d64186c5 100644 --- a/conf/test.config +++ b/conf/test.config @@ -33,7 +33,7 @@ params { r_contaminants.mega_mm2_idx = dehosting_idx kraken2_db = "${projectDir}/tests/data/kraken2/test" kraken.db = kraken2_db - + locidex.allele_database = "${projectDir}/tests/data/databases/locidex_dbs" fastp.args.illumina = "-Q" min_reads = 100 diff --git a/modules/local/locidex_report.nf b/modules/local/locidex_report.nf index 5eae4144..f1a4db7e 100644 --- a/modules/local/locidex_report.nf +++ b/modules/local/locidex_report.nf @@ -24,13 +24,13 @@ process LOCIDEX_REPORT { fi locidex report -i $seq_store_name -o . --name ${meta.id} \\ --mode ${params.locidex.report_mode} \\ - --prop ${params.locidex.report_prop} \\ --max_ambig ${params.locidex.report_max_ambig} \\ --max_stop ${params.locidex.report_max_stop} \\ + --prop ${params.locidex.report_prop} \\ --force - gzip -c profile.json > $output_name - rm profile.json + gzip -c report.json > $output_name + rm report.json cat <<-END_VERSIONS > versions.yml "${task.process}": diff --git a/modules/local/locidex_search.nf b/modules/local/locidex_search.nf index bcb66f66..6123e4cd 100644 --- a/modules/local/locidex_search.nf +++ b/modules/local/locidex_search.nf @@ -8,7 +8,6 @@ process LOCIDEX_SEARCH { label "process_medium" container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.parameters.get('docker')}" - input: tuple val(meta), path(fasta), path(db) @@ -43,7 +42,7 @@ process LOCIDEX_SEARCH { --min_aa_match_cov ${params.locidex.min_aa_match_cov} \\ --max_target_seqs ${params.locidex.max_target_seqs} - gzip -c seq_store.json > $output_json && rm seq_store.json + test -f seq_store.json && gzip -c seq_store.json > $output_json && rm seq_store.json test -f annotations.gbk && gzip -c annotations.gbk > $output_gbk && rm annotations.gbk cat <<-END_VERSIONS > versions.yml diff --git a/modules/local/locidex_select.nf b/modules/local/locidex_select.nf new file mode 100644 index 00000000..367c6d16 --- /dev/null +++ b/modules/local/locidex_select.nf @@ -0,0 +1,320 @@ +/* +Locidex provides the option to select a database from a group of databases, by +using a manifest file. To prevent copying all databases each time an allele database +needs to be selected this file will read only the "manifest" file of the databases and +to pick the correct allele scheme. + + +Locidex Manifest is setup as: + { + db_name: [ + { + "path": path/to/db/relative/to/manifest + # DB Config data, the newest db data will be selected as versions are not standardized + "config": { + "db_name": "Locidex Database 1", + "db_version": "1.0.0", + "db_date": "yyyy-MM-dd", + "db_author": "test1", + "db_desc": "test1", + "db_num_seqs": 53, + "is_nucl": true, + "is_prot": true, + "nucleotide_db_name": "nucleotide", + "protein_db_name": "protein" + } + } + ] + } +*/ + +import groovy.json.JsonSlurper +import groovy.json.JsonBuilder +import java.text.SimpleDateFormat + + +process LOCIDEX_SELECT { + tag "$meta.id" + label "process_single" + + input: + tuple val(meta), val(top_hit), val(contigs) + // If inputs are not working can pass in the string values of the data directly + val manifest // This is a json file to be parsed + val config // optional path to a database file + + output: + // Note: paired_p is a predicate for whether or not a set of contigs is paired with an allele scheme + tuple val(meta), val(contigs), val(scheme), val(paired_p), emit: db_data + tuple val(meta), path(output_config), emit: config_data + + exec: + + def report_name = "${meta.id}_${params.locidex.db_config_output_name}" + output_config = task.workDir.resolve(report_name) + + if(params.allele_scheme == null && params.locidex.allele_database == null){ + error("Allele calling is enabled but there is no allele scheme or locidex allele database location present.") + } + + if(config){ // non null channel should evaluate to true + if(manifest){ + log.warn "A database manifest file was passed along with a config file. Using the allele database specified by '--allele_scheme' " + } + // Create output summary data for a locidex allele database if an allele scheme is passed in directly + def jsonSlurper = new JsonSlurper() + String json_data = config.text + def locidex_config_data = jsonSlurper.parseText(json_data) + validate_locidex_db(locidex_config_data, params.allele_scheme) + write_config_data(locidex_config_data, output_config) + scheme = params.allele_scheme // reset the schem path to the passed allele scheme + paired_p = true + + }else{ + + // Tokenize the "top_hit" or species value to identify all relevant match parts of the string + def species_data = top_hit.split('_|\s').collect{ it.toLowerCase() } + + // De-serialize the manifest file from the database location + def jsonSlurper = new JsonSlurper() + + String json_data = manifest.text + def allele_db_data = jsonSlurper.parseText(json_data) + String[] allele_db_keys = allele_db_data.keySet().collect() + + def (databases, shortest_entry) = tokenize_databases(allele_db_keys) + + def DB_TOKES_POS = 0 + def DB_KEY = 1 + // Remove characters that are shorter then the shortest database token as they cannot be part of a match + // This eliminates tokens that are part of a taxonomic string like `_s` or `spp` + species_data = species_data.findAll { it.size() >= shortest_entry } + + def DB_SELECTION_SCORE_POS = 1 + def DB_DATA_POS = 0 + def MINIMUM_MATCH_SCORE = 1.0 + def matched_databases = databases.collect { + db -> + def match_size = db[DB_TOKES_POS].size() + /* + window_string converts an array of strings into a set of n-grams e.g. [a, b, c, d] -> [[a, b], [b, c], [c, d]] based on the "match size" + which is derived from the number of tokens in the datbases names. + + Lists are then compared to generate a collection of best possible matches. using Compare window passing the n-grams to the function for + window comparison. + */ + def tokens = window_string(species_data, match_size) + def score_out = compare_lists(db[DB_TOKES_POS], tokens) + new Tuple(db[DB_KEY], score_out * match_size) // Add size multiplier to prioritize longer exact matches + }.sort{dp -> dp[DB_SELECTION_SCORE_POS]}.findAll{ dt -> dt[DB_SELECTION_SCORE_POS] >= MINIMUM_MATCH_SCORE }.reverse() // Sort is in descending order by default + + + paired_p = false // Sets predicate for db identification as false by default + scheme = null + + + /* + A database "configuration" is required for mikrokondos continuation as it simplifies final reporting. + `selected_db` contains default values required for reporting a locidex database notifying the user that a + database could not be selected. + */ + def selected_db = [(params.locidex.manifest_config_key): [(params.locidex.manifest_config_name): "No Database Selected", (params.locidex.database_config_value_date): "No Database Selected", (params.locidex.manifest_config_version): "No Database Selected"]] + + def too_many_databases = matched_databases.size() >= 2 && matched_databases[0][DB_SELECTION_SCORE_POS] == matched_databases[1][DB_SELECTION_SCORE_POS] ? true : false + + if(too_many_databases){ + log.warn "Cannot pick an optimal locidex database for ${meta.id}. Tied between ${matched_databases[0][DB_DATA_POS]} and ${matched_databases[1][DB_DATA_POS]}" + } + + if(!matched_databases.isEmpty() && !too_many_databases){ + // Check first and last databases to verify an optimal match is chosen + paired_p = true + def best_database = matched_databases[0][DB_DATA_POS] + selected_db = select_locidex_db_path(allele_db_data[best_database], best_database) + scheme = join_database_paths(selected_db) + } + + // pulling out the config value so that it matches the default selected db format + // and to remove a level of nesting from the output JSON as it is unnecessary + write_config_data(selected_db[params.locidex.manifest_config_key], output_config) + } +} + + +/** +* Tokenize all database keys for lookup of species top hit in the database names + +* This function performs two operations the primary one is to tokenize the database names passed in. +* While the secondary operation is to return the length of the shortest token from the database strings. +* +* The overall algorithm used is done in three steps while iterating over the list of database names: +* 1. Take the database string and split it on seperating charactars ( _ and whitespace) and convert all tokens to lower case font +* 2. From the generated list of tokens get the shortest one and compare it with the variable `shortest_entry` in the outer scope +* and update the `shortest_entry` with the minimum value. +* 3. Create a tuple of the tokenize string, and the original string used to generate the token +* +* @param database_names String[]: String array of the database names to be tokenized +* @return []Tuple([]String, String), Minimum: Returns a list of tuples of the tokenized database strings and their original string form, along with the shortest token +*/ +def tokenize_databases(database_names){ + def shortest_entry = Integer.MAX_VALUE + def tokenized_dbs = database_names.collect{ + key -> // Tokenize the database key and normalize the values into lowercase + def db_tokens = key.split('_|\s').collect{ it.toLowerCase() } + shortest_entry = Math.min(shortest_entry, db_tokens.min{ it.size() }.size()) + new Tuple(db_tokens, key) } + return [tokenized_dbs, shortest_entry] +} + + +def write_config_data(db_data, output_name){ + /// Config data for db to use + def json_data = new JsonBuilder(db_data).toPrettyString() + def output_file = file(output_name).newWriter() + output_file.write(json_data) + output_file.close() +} + +def join_database_paths(db_path){ + /// Database paths are relative to the manifest, hopefully this will not offer many issue on cloud executors + def input_dir_path = [params.lx_allele_database, db_path[params.locidex.manifest_db_path]].join(File.separator) + return input_dir_path +} + + +def validate_locidex_db(db_entry, db_name){ + /// Validate the required fields of a locidex database + /// Errors if fields are missing + + if(!db_entry.containsKey(params.locidex.manifest_config_name)){ + error ("Missing name value in locidex config for: ${db_name}") + } + + if(!db_entry.containsKey(params.locidex.database_config_value_date)){ + error("Missing date created value for locidex database entry: ${db_name}") + } + + return true +} + +def select_locidex_db_path(db_values, db_name){ + /// Select the optimal locidex database by parsing date fields for the organism + /// Database fields are labeled by date, so the most recent will be shown + /// Db value is an object containing the path fields and the config fields + /// db_values: is the list of database config information in the manifest + + + def database_entries = db_values.size() + def default_date = new SimpleDateFormat(params.locidex.date_format_string).parse("0001-01-01") + def max_date = default_date + def max_date_entry = null // No null check at the end as there is no way this value can be null without an error being raised elsewhere + def dates = [] + // Validate all input fields + for(idx in 0.. max_date){ + max_date = date_check + max_date_entry = db_entry + } + } + + def max_date_count = dates.count(max_date) + if(max_date_count > 1){ + error("There are multiple versions of the most recent database for ${db_name}. Mikrokondo could not determine the best database to pick.") + }else if (max_date_count == 0){ + error("There are not databases created after the year ${default_date}. Please set the allele database parameter, or adjust the date your database was created in the 'config.json'") + } + + return max_date_entry +} + + +def window_string(species, match_size){ + /* + Generates all array slices of length match_size from the species array. + + e.g. spieces is an array of: ["1", "2", "3", "4"] and match_size is 2 the output will be. + [ + ["1", "2"], + ["2", "3"], + ["3", "4"] + ] + */ + def tiles = [] + def adj_match_size = match_size - 1 + for(int spot = 0; spot < species.size()-adj_match_size; spot = spot + 1){ + tiles.add(species[spot..spot + adj_match_size]) + } + return tiles +} + +def compare_lists(db_string, species_tokens){ + /* compare the various windows till the right db is found + + The db_string is an array of tokenized db values e.g. ["1", "2"] and the species would be tokenized into + would be [["1", "2"], ["2", "3"]], it would search through the windows of the spcies to see what matches + the database value best e.g. ["1", "2"]. + + This would match as true, however this allows for multiple matches to be found with similarly named databases. + + To get a "better match" we will create a simple score of the the "match size" / length of the the db string tokens + + lengths of the slices differ based on the number of tokens parsed from the `top-hit` value passed to the pipeline. + + !!! Important !!! + ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Currently a matched score will always be 1.0, as we use the value later on to compute + a value that rewards longer matches with a higher score. + + Returning a float value instead of a bool also allows for later modifications to the calculated metric + as later on if we ever want to be more relaxed in database identification we can use + something like Damrau-Levenshtein distance instead to deal with issues in taxonomys. + ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + + + Example: + db_string = ["salmonella", "enterica"] + species_tokens = [["salmonella", "enterica"], ["enterica", "enterica"]] // Species string originally: salmonella enterica enterica + + for window in species_tokens + * window = ["salmonella", "enterica"] on first iteration + if window == db_string: (window ["salmonella", "enterica"]) == (db_string ["salmonella", "enterica"]) + * Exact match means we found a possible db string + * We will compute a match "score" to aid in computing larger matches. + return the `match_val` score computed + + * Return 0.0 as the default value for no match found + return 0.00 + + */ + + for(window in species_tokens){ + if(window == db_string){ + // Can return on first match as any subsequent match would have the same score + def match_val = window.size() / db_string.size().toFloat() + return match_val + } + } + return 0.0 +} + diff --git a/modules/local/locidex_summarize.nf b/modules/local/locidex_summarize.nf new file mode 100644 index 00000000..e619c1a7 --- /dev/null +++ b/modules/local/locidex_summarize.nf @@ -0,0 +1,95 @@ +/* + Gather some allele summary metrics from locidex. + + + Empty loci are labeled as '-' + We need to add the following fields: + - count_loci_found (e.g. not '-') + - count_loci_missing (e.g. '-') + - total_loci (e.g. number of keys) +*/ + + +import groovy.json.JsonSlurper +import groovy.json.JsonBuilder +import java.util.zip.GZIPInputStream +import java.io.BufferedReader +import java.io.FileInputStream +import java.io.File + +process LOCIDEX_SUMMARIZE { + tag "$meta.id" + label "process_single" + + input: + tuple val(meta), val(report) + + output: + tuple val(meta), path("${meta.id}.json"), emit: summary + + + exec: + def json_in = new JsonSlurper() + def report_data = report.withInputStream { + it = new GZIPInputStream(it) + return json_in.parse(it) + } + + + check_key(report_data, params.locidex_summary.data_key, meta) + def data = report_data[params.locidex_summary.data_key] + + check_key(data, params.locidex_summary.data_sample_key, meta) + check_key(data, params.locidex_summary.data_profile_key, meta) + + def sample_name = data[params.locidex_summary.data_sample_key] + def profile_data = data[params.locidex_summary.data_profile_key] + check_key(profile_data, sample_name, meta) + def allele_data = profile_data[sample_name] + + // Length of allele data + def total_loci = allele_data.size() + def missing_alleles = allele_data.findAll { key, value -> value == params.locidex_summary.missing_allele_value} + def alleles_contained = allele_data.count {key, value -> value != params.locidex_summary.missing_allele_value} + def check_size = missing_alleles.size() + alleles_contained + if(check_size != total_loci){ + error("Failed allelic tally check sum, please submit an issue and your locidex report. (Alleles Missing: ${missing_alleles.size()} + Alleles Present ${alleles_contained} != Total Alleles ${total_loci})") + } + + def reportable_alleles = [:] + if(!params.locidex_summary.reportable_alleles.isEmpty()){ + for(key in params.locidex_summary.reportable_alleles){ + if(allele_data.containsKey(key) && allele_data[key] != params.locidex_summary.missing_allele_value){ + reportable_alleles[key] = allele_data[key] + } + } + } + + def output_data = ["TotalLoci": total_loci, + "AllelesPresent": alleles_contained, + "MissingAllelesCount": missing_alleles.size(), + "ReportableAlleles": reportable_alleles, + "MissingAlleles": missing_alleles.keySet() ] + def json_out = new JsonBuilder(output_data).toPrettyString() + + def output_name = "${meta.id}.json" + output_name = task.workDir.resolve(output_name) + def output_writer = file(output_name).newWriter() + output_writer.write(json_out) + output_writer.close() + + +} + + +def check_key(data, key, meta){ + /* + data: The linkedHashMap to process + key: the key to validate + meta: Meta map + */ + + if(!data.containsKey(key)){ + error("Missing ${key} from locidex report for ${meta.id}") + } +} diff --git a/modules/local/select_pointfinder.nf b/modules/local/select_pointfinder.nf index 49376311..71c47466 100644 --- a/modules/local/select_pointfinder.nf +++ b/modules/local/select_pointfinder.nf @@ -19,7 +19,7 @@ process IDENTIFY_POINTDB { def species_data = species.split('_|\s') // tokenize string species_data = species_data*.toLowerCase() - def overly_large_number = 100000 + def overly_large_number = Integer.MAX_VALUE def databases = [] // tokenize database options def shortest_entry = overly_large_number @@ -57,6 +57,7 @@ process IDENTIFY_POINTDB { def tokenize_values(species, match_size){ + // Create tiled values to match on, e.g. input is Salmonella enterica entrica -> [Salmonella, Salmonella enterica, Salmonella enterica enterica] def tokens = [] def adj_match_size = match_size - 1 for(int spot = 0; spot < species.size()-adj_match_size; spot = spot + 1){ diff --git a/nextflow.config b/nextflow.config index f6675468..65a4f51a 100644 --- a/nextflow.config +++ b/nextflow.config @@ -43,7 +43,7 @@ params { show_hidden_params = false validationS3PathCheck = true validationShowHiddenParams = false - validationSchemaIgnoreParams = 'top_hit_method,abricate,locidex,assembly_status,bakta,bandage,checkm,chopper,contigs_too_short,coreutils,coverage_calc_fields,ectyper,fastp,fastqc,filtered_reads,flye,kat,kleborate,kraken,kraken_bin,kraken_species,lissero,mash,mash_meta,medaka,minimap2,mlst,mobsuite_recon,opt_platforms,pilon,pilon_iterative,pointfinder_db_tag,python3,QCReport,QCReport-fields,QCReportFields,quast,racon,raw_reads,report_aggregate,r_contaminants,samtools,seqkit,seqtk,seqtk_size,shigeifinder,sistr,spades,spatyper,staramr,subtyping_report,top_hit_species,unicycler' + validationSchemaIgnoreParams = 'locidex_summary,allele_scheme_selected,top_hit_method,abricate,locidex,assembly_status,bakta,bandage,checkm,chopper,contigs_too_short,coreutils,coverage_calc_fields,ectyper,fastp,fastqc,filtered_reads,flye,kat,kleborate,kraken,kraken_bin,kraken_species,lissero,mash,mash_meta,medaka,minimap2,mlst,mobsuite_recon,opt_platforms,pilon,pilon_iterative,pointfinder_db_tag,python3,QCReport,QCReport-fields,QCReportFields,quast,racon,raw_reads,report_aggregate,r_contaminants,samtools,seqkit,seqtk,seqtk_size,shigeifinder,sistr,spades,spatyper,staramr,subtyping_report,top_hit_species,unicycler' validationFailUnrecognisedParams = false // for the qcreport fields // SKIP options @@ -69,7 +69,6 @@ params { metagenomic_run = false // Label all samples as - // Datasets dehosting_idx = null // mm2 index mash_sketch = null // Make sure comments are formatted as taxonomic strings @@ -128,6 +127,7 @@ params { lx_report_prop = "locus_name" lx_report_max_ambig = 0 lx_report_max_stop = 0 + lx_allele_database = null // Overide an allele calling scheme, this will be applied globally if auto selection is not opted for allele_scheme = null @@ -214,9 +214,8 @@ params { locidex { // awaiting singluarity image build - //singularity = "https://depot.galaxyproject.org/singularity/locidex%3A0.1.1--pyhdfd78af_1" - singularity = "quay.io/biocontainers/locidex:0.1.1--pyhdfd78af_1" - docker = "quay.io/biocontainers/locidex:0.1.1--pyhdfd78af_1" + singularity = "docker.io/mwells14/locidex:0.2.3" + docker = "docker.io/mwells14/locidex:0.2.3" min_evalue = params.lx_min_evalue min_dna_len = params.lx_min_dna_len min_aa_len = params.lx_min_aa_len @@ -232,17 +231,35 @@ params { report_prop = params.lx_report_prop report_max_ambig = params.lx_report_max_ambig report_max_stop = params.lx_report_max_stop + allele_database = params.lx_allele_database + date_format_string = "yyyy-MM-dd" + manifest_db_path = "path" + manifest_config_key = "config" + manifest_config_name = "db_name" + manifest_config_version = "db_version" + manifest_name = "manifest.json" + config_data_file = "config.json" + database_config_value_date = "db_date" extracted_seqs_suffix = ".extracted.seqs.fasta.gz" seq_store_suffix = ".seq_store.json.gz" gbk_suffix = ".gbk.gz" extraction_dir = "extracted" report_suffix = ".profile.mlst.json.gz" - schemes { - salmonella { - search = params.QCReport.salmonella - db = null - } - } + db_config_output_name = "SelectedLocidexConfig.json" + report_tag = "LocidexDatabaseInformation" + } + + locidex_summary { + report_tag = "LocidexSummary" + data_key = "data" + data_profile_key = "profile" + data_sample_key = "sample_name" + missing_allele_value = '-' + reportable_alleles = [] + } + + allele_scheme_selected { + report_tag = "AlleleSchemeUsed" } // FASTP options @@ -385,7 +402,7 @@ params { run_kraken_quick = false report_tag = "KrakenReport" header_p = false - headers = ["PercentID", "FragmentsRecovered", "FragmentsAssignmentTaxon", "RankCode"] + headers = ["PercentID", "FragmentsRecovered", "FragmentsAssignmentTaxon", "RankCode", "NCBITaxonID", "ScientificName"] } mlst { diff --git a/nextflow_schema.json b/nextflow_schema.json index eec61fa2..ca2c16b0 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -664,6 +664,13 @@ "default": 0, "description": "Maximum number of internal stop codons allowed in a sequence.", "minimum": 0 + }, + "lx_allele_database": { + "type": "string", + "description": "Folder of locidex databases. The folder should contain a 'manifest.json' file created by locidex", + "pattern": "^\\S+$", + "exists": true, + "format": "directory-path" } } }, diff --git a/subworkflows/local/locidex.nf b/subworkflows/local/locidex.nf index d8657de0..0b4844e1 100644 --- a/subworkflows/local/locidex.nf +++ b/subworkflows/local/locidex.nf @@ -1,33 +1,65 @@ include { LOCIDEX_EXTRACT } from "../../modules/local/locidex_extract.nf" include { LOCIDEX_SEARCH } from "../../modules/local/locidex_search.nf" include { LOCIDEX_REPORT } from "../../modules/local/locidex_report.nf" - - +include { LOCIDEX_SELECT } from "../../modules/local/locidex_select.nf" +include { LOCIDEX_SUMMARIZE } from "../../modules/local/locidex_summarize.nf" workflow LOCIDEX { take: contigs // val(meta), path(contigs) - top_hit // val(meta), top_hit + top_hit // val(meta), val(top_hit) main: reports = Channel.empty() versions = Channel.empty() paired_species = top_hit.join(contigs) + paired_dbs = Channel.empty() + + if(params.allele_scheme == null && params.locidex.allele_database == null && !params.skip_allele_calling){ + error("Allele calling is enabled, but no locidex database directory has been configured.") + } + + def manifest_file = [] // Default empty values for entries + def config_file = [] + + if(params.allele_scheme != null){ + // allele scheme over rides the the manifest file + def config_file_in = [params.allele_scheme, params.locidex.config_data_file].join(File.separator) + config_file = file(config_file_in, checkIfExists: true) + }else{ + def manifest_file_in = [params.locidex.allele_database, params.locidex.manifest_name].join(File.separator) + manifest_file = file(manifest_file_in, checkIfExists: true) + } + + matched_dbs = LOCIDEX_SELECT(paired_species, manifest_file, config_file) + - paired_dbs = paired_species.map{ - meta, top_hit, contigs -> tuple(meta, contigs, id_scheme(top_hit)) - }.branch{ - paired: it[2] + paired = matched_dbs.db_data.branch{ + paired: it[3] // position 3 is a bool showing if a db is matched fallthrough: true } - // TODO add to reports the database for allele calls to report - paired_dbs.fallthrough.subscribe { + reports = reports.mix(paired.paired.map{ + meta, contigs, scheme, paired -> tuple(meta, params.allele_scheme_selected, scheme) + }) + + // Pull out databases that have a path only + paired_dbs = paired.paired.map { + meta, contigs, scheme, paired -> tuple(meta, contigs, file(scheme, checkIfExists: true)) + } + + + + paired.fallthrough.subscribe { log.info "No allele scheme identified for ${it[0].id}." } - extracted_lx = LOCIDEX_EXTRACT(paired_dbs.paired) + reports = reports.mix(matched_dbs.config_data.map{ + meta, output_config -> tuple(meta, params.locidex, output_config) + }) + + extracted_lx = LOCIDEX_EXTRACT(paired_dbs) versions = versions.mix(extracted_lx.versions) allele_calls = LOCIDEX_SEARCH(extracted_lx.extracted_seqs) @@ -36,28 +68,13 @@ workflow LOCIDEX { report_lx = LOCIDEX_REPORT(allele_calls.allele_calls) versions = versions.mix(report_lx.versions) + summary_lx = LOCIDEX_SUMMARIZE(report_lx.report.map{ meta, report -> tuple(meta, file(report))}) + reports = reports.mix(summary_lx.map{ + meta, summary -> tuple(meta, params.locidex_summary, summary) + }) + emit: versions + reports - -} - -def id_scheme(top_hit){ - /* Pick the correct allele scheme based off of the species top-hit - */ - - def selected_scheme = params.allele_scheme - if(selected_scheme){ - return selected_scheme - } - - for( scheme in params.locidex.schemes){ - search_param = scheme.value.search.search - if(top_hit.contains(search_param)){ - selected_scheme = scheme.value.db ? file(scheme.value.db) : null // Need a value present that will send the scheme to the fallthrough case - break - } - } - - return selected_scheme } diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.fasta b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.fasta similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.fasta rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.fasta diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.ndb b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.ndb similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.ndb rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.ndb diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.nhr b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.nhr similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.nhr rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.nhr diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.nin b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.nin similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.nin rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.nin diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.njs b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.njs similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.njs rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.njs diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.not b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.not similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.not rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.not diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.nsq b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.nsq similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.nsq rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.nsq diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.ntf b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.ntf similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.ntf rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.ntf diff --git a/tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.nto b/tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.nto similarity index 100% rename from tests/data/databases/locidex_salm/blast/nucleotide/nucleotide.nto rename to tests/data/databases/locidex_dbs/locidex_salm/blast/nucleotide/nucleotide.nto diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.fasta b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.fasta similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.fasta rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.fasta diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.ndb b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.ndb similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.ndb rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.ndb diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.nhr b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.nhr similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.nhr rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.nhr diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.nin b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.nin similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.nin rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.nin diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.njs b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.njs similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.njs rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.njs diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.not b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.not similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.not rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.not diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.nsq b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.nsq similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.nsq rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.nsq diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.ntf b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.ntf similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.ntf rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.ntf diff --git a/tests/data/databases/locidex_salm/blast/protein/protein.nto b/tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.nto similarity index 100% rename from tests/data/databases/locidex_salm/blast/protein/protein.nto rename to tests/data/databases/locidex_dbs/locidex_salm/blast/protein/protein.nto diff --git a/tests/data/databases/locidex_dbs/locidex_salm/config.json b/tests/data/databases/locidex_dbs/locidex_salm/config.json new file mode 100755 index 00000000..09d29dfa --- /dev/null +++ b/tests/data/databases/locidex_dbs/locidex_salm/config.json @@ -0,0 +1,12 @@ +{ + "db_name": "Locidex database", + "db_version": "1.0.0", + "db_date": "2024-02-25", + "db_author": "tester", + "db_desc": "Testdatabase for salmonella in mikrokondo", + "db_num_seqs": 53, + "is_nucl": true, + "is_prot": true, + "nucleotide_db_name": "nucleotide", + "protein_db_name": "protein" +} diff --git a/tests/data/databases/locidex_salm/meta.json b/tests/data/databases/locidex_dbs/locidex_salm/meta.json similarity index 100% rename from tests/data/databases/locidex_salm/meta.json rename to tests/data/databases/locidex_dbs/locidex_salm/meta.json diff --git a/tests/data/databases/locidex_dbs/locidex_salm/results.json b/tests/data/databases/locidex_dbs/locidex_salm/results.json new file mode 100755 index 00000000..f02f3d44 --- /dev/null +++ b/tests/data/databases/locidex_dbs/locidex_salm/results.json @@ -0,0 +1,15 @@ +{ + "analysis_start_time": "2024-02-26 15:55:10", + "parameters": { + "input_file": "./locidex/example/build_db_mlst/senterica.mlst.txt", + "outdir": ".locidex/example/mlst_locidex_db", + "name": "Locidex Database", + "author": "", + "date": "", + "db_ver": "1.0.0", + "db_desc": "", + "force": true + }, + "result_file": "./locidex/example/mlst_locidex_db", + "analysis_end_time": "2024-02-26 15:55:10" +} diff --git a/tests/data/databases/locidex_dbs/locidex_vc/blast/nucleotide/nucleotide.fasta b/tests/data/databases/locidex_dbs/locidex_vc/blast/nucleotide/nucleotide.fasta new file mode 100644 index 00000000..e07f2bad --- /dev/null +++ b/tests/data/databases/locidex_dbs/locidex_vc/blast/nucleotide/nucleotide.fasta @@ -0,0 +1,1646 @@ +>0 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a/tests/data/databases/locidex_dbs/locidex_vc_2/config.json b/tests/data/databases/locidex_dbs/locidex_vc_2/config.json new file mode 100644 index 00000000..c072ae45 --- /dev/null +++ b/tests/data/databases/locidex_dbs/locidex_vc_2/config.json @@ -0,0 +1,12 @@ +{ + "db_name": "Vibrio cholerae", + "db_version": "1.0.0", + "db_date": "2024-07-29", + "db_author": "Tester", + "db_desc": "The database but older, this one is not functional", + "db_num_seqs": 823, + "is_nucl": true, + "is_prot": true, + "nucleotide_db_name": "nucleotide", + "protein_db_name": "protein" +} diff --git a/tests/data/databases/locidex_dbs/locidex_vc_2/meta.json b/tests/data/databases/locidex_dbs/locidex_vc_2/meta.json new file mode 100644 index 00000000..74caf4ae --- /dev/null +++ b/tests/data/databases/locidex_dbs/locidex_vc_2/meta.json @@ -0,0 +1,18121 @@ +{ + "info": { + "num_seqs": 823, + "is_cds": true, + "trans_table": 11, + "dna_min_len": 291.2, + "dna_max_len": 413.7, + "dna_min_ident": 80.0, + 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z2Ex!yP_?bZnW8k0YC=A=ab1___f0%k(pPWrC(0L509vgVzygIhp&!JQ7dygAuBKf` zRIh5^97C9#C$sHVh_R5gP!0QabwCe^Gzke9%7$SVNd+lf2ddqyn^s{aB;8~Pq_V)6J4-5?R;K6j7N2eKy1nzd{>W!kk)nAj@ z#Ocn+WQmz9AzmKJtoPgred6EC)bMq`6sKzsX)X^%)*F|fC5;B)e%+65I3B!$PhRv$ zR9Bll&~u8>-*hQ}%WN|dPEY2RM$h|Jdoyv|WUrbcO_^{qP?&;@`Qw(AnZY}$he{vM rYaS Date: Fri, 23 Aug 2024 13:20:40 -0500 Subject: [PATCH 34/44] updated Torsteins mlst container, as results were differing with PubMLST (#98) * updated Torsteins mlst container, as results were differing with PubMLST * updated wordslist * updated test to use e.coli achtman 4 * update listeria scheme selection * updated changelog statement --- .wordlist.txt | 1 + CHANGELOG.md | 4 ++++ nextflow.config | 4 ++-- tests/pipelines/main.from_assemblies.nf.test | 4 ++-- 4 files changed, 9 insertions(+), 4 deletions(-) diff --git a/.wordlist.txt b/.wordlist.txt index 5a62d6b3..ca3a4b14 100644 --- a/.wordlist.txt +++ b/.wordlist.txt @@ -168,3 +168,4 @@ ast dependentRequired errorMessage Samplesheet +TSeemann's diff --git a/CHANGELOG.md b/CHANGELOG.md index 0f3057fe..17e14d31 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -5,6 +5,10 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## Unreleased +### `Updated` + +- Updated TSeemann's MLST default container to use version 2.23.0 of `mlst`. See [PR 97](https://github.com/phac-nml/mikrokondo/pull/97) + ### `Fixed` - Fixed spelling issues issues in config values. See [PR 95](https://github.com/phac-nml/mikrokondo/pull/95) diff --git a/nextflow.config b/nextflow.config index 65a4f51a..bceb3b63 100644 --- a/nextflow.config +++ b/nextflow.config @@ -406,8 +406,8 @@ params { } mlst { - singularity = "https://depot.galaxyproject.org/singularity/mlst:2.19.0--hdfd78af_1" - docker = "quay.io/biocontainers/mlst:2.19.0--hdfd78af_1" + singularity = "https://depot.galaxyproject.org/singularity/mlst%3A2.23.0--hdfd78af_1" + docker = "quay.io/biocontainers/mlst:2.23.0--hdfd78af_1" args = "" tsv_ext = ".tsv" json_ext = ".json" diff --git a/tests/pipelines/main.from_assemblies.nf.test b/tests/pipelines/main.from_assemblies.nf.test index 8d72d1bd..499ec5c0 100644 --- a/tests/pipelines/main.from_assemblies.nf.test +++ b/tests/pipelines/main.from_assemblies.nf.test @@ -151,7 +151,7 @@ nextflow_pipeline { assert ecoli_metadata."purA" == "7" assert ecoli_metadata."mdh" == "9" assert ecoli_metadata."7 Gene ST" == "678" - assert ecoli_metadata."7 Gene Scheme" == "ecoli" + assert ecoli_metadata."7 Gene Scheme" == "ecoli_achtman_4" assert ecoli_metadata."StarAMR Genotype" == "aph(3'')-Ib, aph(6)-Id, blaCTX-M-15, blaTEM-1B, dfrA7, gyrA (S83A), qacE, sul1, sul2, tet(A)" assert ecoli_metadata."StarAMR Predicted Phenotype" == "streptomycin, kanamycin, ampicillin, ceftriaxone, trimethoprim, ciprofloxacin I/R, nalidixic acid, unknown[qacE_1_X68232], sulfisoxazole, tetracycline" @@ -649,7 +649,7 @@ nextflow_pipeline { assert iridanext_metadata.listeria_GCF_000196035."dapE" == "20" assert iridanext_metadata.listeria_GCF_000196035."lhkA" == "1" assert iridanext_metadata.listeria_GCF_000196035."7 Gene ST" == "35" - assert iridanext_metadata.listeria_GCF_000196035."7 Gene Scheme" == "lmonocytogenes" + assert iridanext_metadata.listeria_GCF_000196035."7 Gene Scheme" == "listeria_2" } } From 3a3b98263887a6b4cbdbbae27ada0fced29cd764 Mon Sep 17 00:00:00 2001 From: Matthew Wells <76452933+mattheww95@users.noreply.github.com> Date: Thu, 29 Aug 2024 10:08:58 -0500 Subject: [PATCH 35/44] updated tests running average coverage calculations in cloud executors (#102) * updated tests running average coverage calculations in cloud executors * committing progress, difference in behaviour between nextflow versions is being observed * fixed missing coverage value in version 24 of nextflow * updated test ouputs * removed docker.userEmulation as marked as deprecated * renamed duplicated test name --- modules/local/report.nf | 20 +++-- nextflow.config | 13 +++- tests/main.nf.test | 169 +++++++++++++++++++++++++++++++++++++++- 3 files changed, 185 insertions(+), 17 deletions(-) diff --git a/modules/local/report.nf b/modules/local/report.nf index 36533527..31fc8492 100644 --- a/modules/local/report.nf +++ b/modules/local/report.nf @@ -130,14 +130,13 @@ def generate_coverage_data(sample_data, bp_field, species){ && species[species_data_pos].fixed_genome_size != null){ def length = species[species_data_pos].fixed_genome_size.toLong() - def cov = base_pairs / q_length + def cov = base_pairs / length entry.value[params.coverage_calc_fields.fixed_cov] = cov.round(2) - } } } - + return sample_data } @@ -439,9 +438,9 @@ def convert_type(type, val){ } def recurse_keys(value, keys_rk){ - // TODO add in generic return for if a value is not found def temp = traverse_values(value, keys_rk.path) def value_found = true + if(temp == null){ value_found = false; } @@ -455,9 +454,9 @@ def recurse_keys(value, keys_rk){ } def traverse_values(value, path){ + def temp = value def value_found = true - def ret_val = null if(path instanceof String){ temp = temp[path] @@ -465,11 +464,9 @@ def traverse_values(value, path){ } for(key in path){ - def key_val - if(key.isNumber()){ - key_val = key.toInteger() - }else{ - key_val = key + def key_val = key + if(key_val.isNumber()){ + key_val = key_val.toInteger() } if(temp.containsKey(key_val)){ @@ -674,7 +671,8 @@ def generate_qc_data(data, search_phrases, qc_species_tag){ for(k in data){ if(!k.value.meta.metagenomic){ def species = get_species(k.value[k.key][top_hit_tag], search_phrases, shortest_token) - generate_coverage_data(data[k.key], params.coverage_calc_fields.bp_field, species) // update coverage first so its values can be used in generating qc messages + // update coverage first so its values can be used in generating qc messages + generate_coverage_data(data[k.key], params.coverage_calc_fields.bp_field, species) data[k.key][quality_analysis] = get_qc_data_species(k.value[k.key], species) data[k.key][qc_species_tag] = species[species_tag_location] }else{ diff --git a/nextflow.config b/nextflow.config index bceb3b63..cf58c24c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -885,9 +885,15 @@ params { low_msg = "Base quality is poor, resequencing is recommended." } average_coverage { - //path = ["${params.quast.report_tag}", "0", "Avg. coverage depth"] // uncomment to use QUASTS coverage - //path = ["${params.coverage_calc_fields.auto_cov}"] // uncomment to use quasts base_pairs/genome length for coverage - path = ["${params.coverage_calc_fields.fixed_cov}"] + /* + * Example path below can be used for qaust coverage + path = [params.quast.report_tag, "0", "Avg. coverage depth"] + * Use the path below to use quasts base_pairs/genome length for coverage + path = [params.coverage_calc_fields.auto_cov] + + */ + + path = [params.coverage_calc_fields.fixed_cov] coerce_type = 'Float' compare_fields = ['min_average_coverage'] comp_type = 'ge' @@ -967,7 +973,6 @@ profiles { } docker { docker.enabled = true - docker.userEmulation = true singularity.enabled = false podman.enabled = false shifter.enabled = false diff --git a/tests/main.nf.test b/tests/main.nf.test index ac8d929f..74b00587 100644 --- a/tests/main.nf.test +++ b/tests/main.nf.test @@ -120,6 +120,171 @@ nextflow_pipeline { skip_allele_calling = true + QCReport { + fallthrough { + search = "No organism specific QC data available." + raw_average_quality = 30 + min_n50 = null + max_n50 = null + min_nr_contigs = null + max_nr_contigs = null + fixed_genome_size = 1000 + min_length = null + max_length = null + max_checkm_contamination = 3.0 + min_average_coverage = 30 + } + } + + + skip_bakta = true + skip_staramr = false + skip_mobrecon = false + skip_checkm = false + skip_raw_read_metrics = false + skip_polishing = false + + max_memory = "2.GB" + max_cpus = 1 + } + } + + then { + + assert workflow.success + assert path("$launchDir/results").exists() + + // parse output json file + def json = path("$launchDir/results/FinalReports/Aggregated/Json/final_report.json").json + + assert json.short.short.RawReadSummary.R1."total_bp".equals(118750) + assert json.short.short.RawReadSummary.R1."total_reads".equals(475) + assert json.short.short.RawReadSummary.R1."read_qual_mean".equals(40.0) + assert json.short.short.RawReadSummary.R1."mean_sequence_length".equals(250.0) + + assert json.short.short.FastP.summary.sequencing.equals("paired end (250 cycles + 250 cycles)") + assert json.short.short.FastP.summary.before_filtering.total_reads.equals(950) + assert json.short.short.FastP.filtering_result.passed_filter_reads.equals(950) + assert json.short.short.FastP.filtering_result.low_quality_reads.equals(0) + assert json.short.short.FastP.insert_size.peak.equals(347) + + //assert json.short.meta.metagenomic.equals(false) // Currently, this is "null". + assert json.short.meta.assembly.equals(false) + assert json.short.meta.hybrid.equals(false) + assert json.short.meta.single_end.equals(false) + assert json.short.meta.merge.equals(false) + assert json.short.meta.downsampled.equals(false) + + assert json.short.short.AssemblyCompleted.equals(true) + assert json.short.short.QUAST."0"."Total length (>= 0 bp)".equals("4949") + assert json.short.short.QUAST."0"."Largest contig".equals("4949") + assert json.short.short.QUAST."0"."GC (%)".equals("52.96") + assert json.short.short.QUAST."0"."Avg. coverage depth".equals("47") + + // Below two values should be empty + assert json.short.short.StarAMR."0"."Genotype".equals("None") + assert json.short.short.StarAMR."0"."Predicted Phenotype".equals("Susceptible") + assert json.short.short.StarAMR."0"."Genome Length".equals("4949") + + assert json.short.short.CheckM."0"."# genomes".equals("5656") + assert json.short.short.CheckM."0"."# markers".equals("56") + assert json.short.short.CheckM."0"."# marker sets".equals("24") + assert json.short.short.CheckM."0".Contamination.equals("0.00") + + assert json.short.short.SevenGeneMLSTReport[0].filename.equals("short.filtered.fasta.gz") + + assert json.short.short.Abricate."0".RESISTANCE.equals("NoData") // All Abricate results for this are "NoData". + + def assembly_path = "$launchDir/results/Assembly/FinalAssembly/short/short.final.filtered.assembly.fasta.gz" + assert path(assembly_path).exists() + + // parse assembly file + def assembly_header = path(assembly_path).linesGzip[0] + assert assembly_header.startsWith(">NODE_1_length_4949_cov_23.917254") // _pilon_pilon_pilon gets appended + + // compare IRIDA Next JSON output + def iridanext_json = path("$launchDir/results/iridanext.output.json").json + def iridanext_global = iridanext_json.files.global + def iridanext_samples = iridanext_json.files.samples + def iridanext_metadata = iridanext_json.metadata.samples + + // output files + assert iridanext_global.findAll { it.path == "FinalReports/Aggregated/Json/final_report.json" }.size() == 1 + assert iridanext_global.findAll { it.path == "FinalReports/Aggregated/Tables/final_report.tsv" }.size() == 1 + assert iridanext_samples.short.findAll { it.path == "Assembly/FinalAssembly/short/short.final.filtered.assembly.fasta.gz" }.size() == 1 + assert iridanext_samples.short.findAll { it.path == "Assembly/Quality/QUAST/short/short.transposed_short.quast.quality.tsv" }.size() == 1 + assert iridanext_samples.short.findAll { it.path == "Assembly/Quality/SeqKitStats/short.seqkit.stats.summary.tsv" }.size() == 1 + assert iridanext_samples.short.findAll { it.path == "Assembly/PostProcessing/Speciation/MashScreen/short.mash.screen.taxa.screen.screen" }.size() == 1 + assert iridanext_samples.short.findAll { it.path == "Reads/Quality/Trimmed/MashScreen/short.mash.screen.reads.screen.screen" }.size() == 1 + assert iridanext_samples.short.findAll { it.path == "Reads/Quality/Trimmed/FastP/short.fastp.summary.json" }.size() == 1 + assert iridanext_samples.short.findAll { it.path == "Reads/Quality/RawReadQuality/short.read.scan.summary.json" }.size() == 1 + assert iridanext_samples.short.findAll { it.path == "FinalReports/FlattenedReports/short.flat_sample.json.gz" }.size() == 1 + + // output metadata + assert iridanext_metadata.short."QC Status" == "PASSED" + assert iridanext_metadata.short."Checkm Status" == "PASSED" + assert iridanext_metadata.short."Checkm Value" == 0.0 + assert iridanext_metadata.short."Average Coverage Status" == "PASSED" + assert iridanext_metadata.short."Average Coverage Value" == 237.5 + assert iridanext_metadata.short."n50 Status" == "WARNING" + assert iridanext_metadata.short."n50 Value" == 4949 + assert iridanext_metadata.short."Raw Average Quality Status" == "PASSED" + assert iridanext_metadata.short."Raw Average Quality Value" == 40.0 + assert iridanext_metadata.short."Length Status" == "WARNING" + assert iridanext_metadata.short."Length Value" == 4949 + assert iridanext_metadata.short."nr contigs Status" == "WARNING" + assert iridanext_metadata.short."nr contigs Value" == 1 + assert iridanext_metadata.short."QC Summary" == "PASSED Species ID: No Species Identified; Passed Tests: 6/6; Organism QC Criteria: No organism specific QC data available." + + assert iridanext_metadata.short."Downsampled" == false + assert iridanext_metadata.short."predicted_identification_name" == "No Species Identified" + assert iridanext_metadata.short."predicted_identification_method" == "Mash" + assert iridanext_metadata.short."GC (%)" == "52.96" + assert iridanext_metadata.short."Mean Sequence Length Forward" == 250 + assert iridanext_metadata.short."BaseCount" == 237500 + + assert iridanext_metadata.short."StarAMR Genotype" == "None" + assert iridanext_metadata.short."StarAMR Predicted Phenotype" == "Susceptible" + } + + } + + test("Should assemble but fail average coverage check") { + tag "succeed_assembly_fail_coverage" + + when { + params { + input = "https://raw.githubusercontent.com/phac-nml/mikrokondo/dev/tests/data/samplesheets/samplesheet-small-assembly.csv" + outdir = "results" + + platform = "illumina" + + mash_sketch = "https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/databases/campy-staph-ecoli.msh" + mh_min_kmer = 1 + + dehosting_idx = "https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/databases/campy.mmi" + kraken2_db = "$baseDir/tests/data/kraken2/test" + + min_reads = 100 + + skip_allele_calling = true + + QCReport { + fallthrough { + search = "No organism specific QC data available." + raw_average_quality = 30 + min_n50 = null + max_n50 = null + min_nr_contigs = null + max_nr_contigs = null + fixed_genome_size = 1000000 + min_length = null + max_length = null + max_checkm_contamination = 3.0 + min_average_coverage = 30 + } + } + skip_bakta = true skip_staramr = false @@ -208,8 +373,8 @@ nextflow_pipeline { assert iridanext_metadata.short."QC Status" == "FAILED" assert iridanext_metadata.short."Checkm Status" == "PASSED" assert iridanext_metadata.short."Checkm Value" == 0.0 - assert !iridanext_metadata.short.containsKey("Average Coverage Status") - assert !iridanext_metadata.short.containsKey("Average Coverage Value") + assert iridanext_metadata.short."Average Coverage Status" == "FAILED" + assert iridanext_metadata.short."Average Coverage Value" == 0.24 assert iridanext_metadata.short."n50 Status" == "WARNING" assert iridanext_metadata.short."n50 Value" == 4949 assert iridanext_metadata.short."Raw Average Quality Status" == "PASSED" From b0905219ec669b50ac37d83bf9030874864759b1 Mon Sep 17 00:00:00 2001 From: Steven Sutcliffe Date: Fri, 30 Aug 2024 11:33:05 -0400 Subject: [PATCH 36/44] Added container override process for docker hub container --- modules/local/pilon_polisher.nf | 2 +- nextflow.config | 10 +++------- 2 files changed, 4 insertions(+), 8 deletions(-) diff --git a/modules/local/pilon_polisher.nf b/modules/local/pilon_polisher.nf index ed50969c..16f01e07 100644 --- a/modules/local/pilon_polisher.nf +++ b/modules/local/pilon_polisher.nf @@ -4,7 +4,7 @@ process PILON_ITER { tag "$meta.id" label 'process_medium' memory {task.memory * task.attempt} - container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.parameters.get('docker')}" + container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.override_configured_container_registry != false ? task.ext.parameters.get('docker') : task.ext.parameters.get('private_repository')}" input: tuple val(meta), path(reads), path(contigs) diff --git a/nextflow.config b/nextflow.config index b8d445ca..61bb5474 100644 --- a/nextflow.config +++ b/nextflow.config @@ -490,6 +490,7 @@ params { pilon_iterative { singularity = 'docker.io/mwells14/pilonpolisher:0.0.1' // Docker containers will be converted to singularity docker = 'docker.io/mwells14/pilonpolisher:0.0.1' + private_repository = 'mwells14/pilonpolisher:0.0.1' outdir = "pilon" fasta_ext = ".fasta.gz" fasta_outdir = "fasta" @@ -1019,13 +1020,8 @@ profiles { test { includeConfig 'conf/test.config' } } -// Set default registry for Apptainer, Docker, Podman and Singularity independent of -profile -// Will not be used unless Apptainer / Docker / Podman / Singularity are enabled -// Set to your registry if you have a mirror of containers -apptainer.registry = 'quay.io' -docker.registry = 'quay.io' -podman.registry = 'quay.io' 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Pr Date: Fri, 30 Aug 2024 12:31:45 -0400 Subject: [PATCH 38/44] Added default registry as quay.io --- nextflow.config | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/nextflow.config b/nextflow.config index 61bb5474..937b0f49 100644 --- a/nextflow.config +++ b/nextflow.config @@ -1020,8 +1020,16 @@ profiles { test { includeConfig 'conf/test.config' } } +// Set default registry for Apptainer, Docker, Podman and Singularity independent of -profile +// Will not be used unless Apptainer / Docker / Podman / Singularity are enabled +// Set to your registry if you have a mirror of containers +apptainer.registry = 'quay.io' +docker.registry = 'quay.io' +podman.registry = 'quay.io' +singularity.registry = 'quay.io' + // Override the default Docker registry when required -process.ext.override_configured_container_registry = true +process.ext.override_configured_container_registry = false plugins { //id 'nf-validation@2.0.0' From 4f11807eaaa3ebc1070831cec9a4c896e559e7d9 Mon Sep 17 00:00:00 2001 From: Steven Sutcliffe Date: Fri, 30 Aug 2024 13:00:56 -0400 Subject: [PATCH 39/44] Updated params.locidex, and modules that use it, to have override default container option --- modules/local/locidex_extract.nf | 2 +- modules/local/locidex_report.nf | 2 +- modules/local/locidex_search.nf | 2 +- nextflow.config | 1 + 4 files changed, 4 insertions(+), 3 deletions(-) diff --git a/modules/local/locidex_extract.nf b/modules/local/locidex_extract.nf index 0b513838..ff2220cc 100644 --- a/modules/local/locidex_extract.nf +++ b/modules/local/locidex_extract.nf @@ -7,7 +7,7 @@ process LOCIDEX_EXTRACT { tag "$meta.id" label "process_low" - container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.parameters.get('docker')}" + container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.override_configured_container_registry != false ? task.ext.parameters.get('docker') : task.ext.parameters.get('private_repository')}" input: diff --git a/modules/local/locidex_report.nf b/modules/local/locidex_report.nf index f1a4db7e..dcd34656 100644 --- a/modules/local/locidex_report.nf +++ b/modules/local/locidex_report.nf @@ -5,7 +5,7 @@ process LOCIDEX_REPORT { tag "$meta.id" label "process_low" - container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.parameters.get('docker')}" + container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.override_configured_container_registry != false ? task.ext.parameters.get('docker') : task.ext.parameters.get('private_repository')}" input: tuple val(meta), path(seq_store) diff --git a/modules/local/locidex_search.nf b/modules/local/locidex_search.nf index 6123e4cd..d2c60121 100644 --- a/modules/local/locidex_search.nf +++ b/modules/local/locidex_search.nf @@ -6,7 +6,7 @@ process LOCIDEX_SEARCH { tag "$meta.id" label "process_medium" - container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.parameters.get('docker')}" + container "${workflow.containerEngine == 'singularity' || workflow.containerEngine == 'apptainer' ? task.ext.parameters.get('singularity') : task.ext.override_configured_container_registry != false ? task.ext.parameters.get('docker') : task.ext.parameters.get('private_repository')}" input: tuple val(meta), path(fasta), path(db) diff --git a/nextflow.config b/nextflow.config index 586d0051..4d6c755d 100644 --- a/nextflow.config +++ b/nextflow.config @@ -216,6 +216,7 @@ params { // awaiting singluarity image build singularity = "docker.io/mwells14/locidex:0.2.3" docker = "docker.io/mwells14/locidex:0.2.3" + private_repository = 'mwells14/locidex:0.2.3' min_evalue = params.lx_min_evalue min_dna_len = params.lx_min_dna_len min_aa_len = params.lx_min_aa_len From 0be594bc0ac78fdc0bc95870c5fdaecf2ae4faf3 Mon Sep 17 00:00:00 2001 From: Steven Sutcliffe Date: Fri, 30 Aug 2024 14:09:25 -0400 Subject: [PATCH 40/44] Set process.ext.override.. to true by default --- nextflow.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow.config b/nextflow.config index 4d6c755d..7496b7fc 100644 --- a/nextflow.config +++ b/nextflow.config @@ -1052,7 +1052,7 @@ podman.registry = 'quay.io' singularity.registry = 'quay.io' // Override the default Docker registry when required -process.ext.override_configured_container_registry = false +process.ext.override_configured_container_registry = true plugins { //id 'nf-validation@2.0.0' From 0419a5afa2dea7b002cf6c3fc2f2cd9be78adaf6 Mon Sep 17 00:00:00 2001 From: Steven Sutcliffe Date: Fri, 30 Aug 2024 16:17:12 -0400 Subject: [PATCH 41/44] Updated Python container to quay.io/biocontainer --- nextflow.config | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/nextflow.config b/nextflow.config index 7496b7fc..9475b78c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -193,8 +193,8 @@ params { // Python container, May switch for pypy3 python3 { - singularity = "biocontainers/staramr:0.10.0--pyhdfd78af_0" - docker = "biocontainers/staramr:0.10.0--pyhdfd78af_0" + singularity = "https://depot.galaxyproject.org/singularity/python:3.12" + docker = "biocontainers/python:3.12" } seqtk { From 056d7f8cd7f6a430ead5796cf378c6f46aa655bd Mon Sep 17 00:00:00 2001 From: Matthew Wells <76452933+mattheww95@users.noreply.github.com> Date: Fri, 30 Aug 2024 16:35:53 -0500 Subject: [PATCH 42/44] fixed typo and metagenomic QCSummary message (#103) * fixed typo and metagenomic QCSummary message * updated changelog * removed comma * updated metagenomic tests * added missing test files * updated virus mash sketch * updated output values * fixed test typo * reintegrated deleted test --- CHANGELOG.md | 4 + modules/local/report.nf | 9 +- tests/data/databases/virus.msh | Bin 0 -> 82208 bytes .../samplesheet-small-metagenomic.csv | 2 + tests/main.nf.test | 87 ++++++++++++++++++ tests/pipelines/main.from_assemblies.nf.test | 7 +- 6 files changed, 102 insertions(+), 7 deletions(-) create mode 100644 tests/data/databases/virus.msh create mode 100644 tests/data/samplesheets/samplesheet-small-metagenomic.csv diff --git a/CHANGELOG.md b/CHANGELOG.md index bc6e15b9..fb0bca7c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -12,11 +12,15 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Updated` +- Added QCMessage and QCSummary fields for metagenomic sequencing runs. See [PR 103](https://github.com/phac-nml/mikrokondo/pull/103) + - Updated TSeemann's MLST default container to use version 2.23.0 of `mlst`. See [PR 97](https://github.com/phac-nml/mikrokondo/pull/97) ### `Fixed` +- Fixed typo in metagenomic QC message. See [PR 103](https://github.com/phac-nml/mikrokondo/pull/103) + - Fixed spelling issues issues in config values. See [PR 95](https://github.com/phac-nml/mikrokondo/pull/95) - Fixed the headers specified in the nextflow.config file for Kraken2. See [PR 96](https://github.com/phac-nml/mikrokondo/pull/96) diff --git a/modules/local/report.nf b/modules/local/report.nf index 31fc8492..68eeddd3 100644 --- a/modules/local/report.nf +++ b/modules/local/report.nf @@ -244,18 +244,21 @@ def create_action_call(sample_data, species_tag){ // nothing to do here if(params.metagenomic_run){ final_message = "No QC Summary is provided for metagenomic samples." + qc_summary = "No quality control criteria is applied for metagenomic samples." sample_status = "NA" }else{ - final_message = "[FAILED] Sample was determined to be metagenomic, and this was not specied as" + + qc_summary = "[FAILED] Sample was determined to be metagenomic and this was not specified as a metagenomic run indicating contamination." + final_message = "[FAILED] Sample was determined to be metagenomic and this was not specified as" + " a metagenomic run indicating contamination REISOLATION AND RESEQUENCING RECOMMENDED." + "There is additionally a possibility that your sample could not be identified as it is novel and " + "not included in the program used to taxonomically classify your pipeline (however this is an unlikely culprit)." } sample_data[val.key]["QCStatus"] = sample_status - sample_data[val.key]["QCSummary"] = final_message + sample_data[val.key]["QCSummary"] = qc_summary + sample_data[val.key]["QCMessage"] = final_message continue } - //def terminal_message = populate_qual_message(qual_data) + def qual_message = [] def failed_p = false def checks_failed = 0 diff --git a/tests/data/databases/virus.msh b/tests/data/databases/virus.msh new file mode 100644 index 0000000000000000000000000000000000000000..0196fa0020415ba450102362c736d144560abfa8 GIT binary patch literal 82208 zcmc$^byQW|+Bdvv!`|ekOG-+*1?iHOPH71R=`KN9DFNwjK>?AFQW2Dt5NQOYr367x z5s(khxzBm;^Ssadjq!bByyLn4`OS6BYyRdHbFQ`5ni~NC02c&+4Hy7E-~vD?F#xpT zpDWJ=1`vSapG{!>y#L(n-$L+@76|-2*Z=7`Jx8v8_x{s%5(0or=Q;>DC;m%(U;eB0 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b/tests/data/samplesheets/samplesheet-small-metagenomic.csv new file mode 100644 index 00000000..3e341b9b --- /dev/null +++ b/tests/data/samplesheets/samplesheet-small-metagenomic.csv @@ -0,0 +1,2 @@ +sample,fastq_1,fastq_2,long_reads,assembly +meta-small,https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/reads/metagenomic_reads1.fq.gz,https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/reads/metagenomic_reads2.fq.gz,, diff --git a/tests/main.nf.test b/tests/main.nf.test index 74b00587..f250bd74 100644 --- a/tests/main.nf.test +++ b/tests/main.nf.test @@ -398,6 +398,93 @@ nextflow_pipeline { } + test("Should run without failure metagenomic.") { + tag "succeed_assembly_meta" + + when { + params { + input = "https://raw.githubusercontent.com/phac-nml/mikrokondo/dev/tests/data/samplesheets/samplesheet-small-assembly.csv" + outdir = "results" + + platform = "illumina" + + mash_sketch = "https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/databases/campy-staph-ecoli.msh" + mh_min_kmer = 1 + + dehosting_idx = "https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/databases/campy.mmi" + kraken2_db = "$baseDir/tests/data/kraken2/test" + + metagenomic_run = true + min_reads = 100 + + skip_allele_calling = true + + + skip_bakta = true + skip_staramr = false + skip_mobrecon = false + skip_checkm = false + skip_raw_read_metrics = false + skip_polishing = false + + max_memory = "2.GB" + max_cpus = 1 + } + } + + then { + + assert workflow.success + assert path("$launchDir/results").exists() + // parse output json file + def iridanext_json = path("$launchDir/results/iridanext.output.json").json + assert iridanext_json.metadata.samples.short."QC Status" == "NA" + assert iridanext_json.metadata.samples.short."QC Summary" == "No quality control criteria is applied for metagenomic samples." + + } + } + + test("Should run without failure metagenomic viruses.") { + tag "succeed_assembly_meta_viruses" + + when { + params { + input = "$baseDir/tests/data/samplesheets/samplesheet-small-metagenomic.csv" + outdir = "results" + + platform = "illumina" + + mash_sketch = "$baseDir/tests/data/databases/virus.msh" + mh_min_kmer = 1 + + dehosting_idx = "https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/databases/campy.mmi" + kraken2_db = "$baseDir/tests/data/kraken2/test" + min_reads = 2 + skip_allele_calling = true + skip_bakta = true + skip_staramr = false + skip_mobrecon = false + skip_checkm = false + skip_raw_read_metrics = false + skip_polishing = false + + max_memory = "2.GB" + max_cpus = 1 + } + } + + then { + + assert workflow.success + assert path("$launchDir/results").exists() + // parse output json file + def iridanext_json = path("$launchDir/results/iridanext.output.json").json + assert iridanext_json.metadata.samples."meta-small"."QC Status" == "FAILED" + assert iridanext_json.metadata.samples."meta-small"."QC Summary" == "[FAILED] Sample was determined to be metagenomic and this was not specified as a metagenomic run indicating contamination." + + } + } + test("Test validation of platform parameter") { tag "fail_validation" diff --git a/tests/pipelines/main.from_assemblies.nf.test b/tests/pipelines/main.from_assemblies.nf.test index 499ec5c0..411c9e8d 100644 --- a/tests/pipelines/main.from_assemblies.nf.test +++ b/tests/pipelines/main.from_assemblies.nf.test @@ -653,7 +653,7 @@ nextflow_pipeline { } } - test("Test starting from concatemers Vibrio cholerae") { + test("Test starting from concatemers Vibrio cholerae") { tag "from_assemblies_vibrio" when { @@ -726,9 +726,8 @@ nextflow_pipeline { } } - - test("Test of Database output from concatemers Vibrio cholerae") { - tag "from_assemblies_vibrio_allele_scheme" + test("Test of Database output from concatemers Vibrio cholerae") { + tag "from_assemblies_vibrio_allele_scheme" when { params { From 2976de75b90453fc8a94d499acddb1d96b1e27af Mon Sep 17 00:00:00 2001 From: Matthew Wells <76452933+mattheww95@users.noreply.github.com> Date: Wed, 4 Sep 2024 09:27:33 -0500 Subject: [PATCH 43/44] updated config defaults for various organisms (#105) * updated config defaults for various organisms * updated changelog --- CHANGELOG.md | 3 ++ nextflow.config | 84 ++++++++++++++++++++++++++++++++++++++++++++----- 2 files changed, 80 insertions(+), 7 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index fb0bca7c..6c7fe759 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -22,10 +22,13 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Fixed typo in metagenomic QC message. See [PR 103](https://github.com/phac-nml/mikrokondo/pull/103) - Fixed spelling issues issues in config values. See [PR 95](https://github.com/phac-nml/mikrokondo/pull/95) + - Fixed the headers specified in the nextflow.config file for Kraken2. See [PR 96](https://github.com/phac-nml/mikrokondo/pull/96) ### `Added` +- Added additional organism QC parameters to defaults. See [PR 105](https://github.com/phac-nml/mikrokondo/pull/105) + - Updated locidex to version 0.2.3. See [PR 96](https://github.com/phac-nml/mikrokondo/pull/96) - Added module for automatic selection of locidex databases through configuration of a locidex database collection. See [PR 96](https://github.com/phac-nml/mikrokondo/pull/96) diff --git a/nextflow.config b/nextflow.config index 9475b78c..50d62850 100644 --- a/nextflow.config +++ b/nextflow.config @@ -839,27 +839,97 @@ params { search = "Klebsiella" raw_average_quality = 30 min_n50 = 100000 - max_n50 = 6000000 + max_n50 = 6500000 min_nr_contigs = 1 max_nr_contigs = 500 - fixed_genome_size = 6000000 min_length = 4500000 - max_length = 6000000 + max_length = 6500000 max_checkm_contamination = 3.0 - min_average_coverage = 30 + min_average_coverage = 50 } staphylococcus { search = "Staphylococcus" raw_average_quality = 30 + min_n50 = 30000 + max_n50 = 3500000 + min_nr_contigs = 1 + max_nr_contigs = 250 + min_length = 2500000 + max_length = 3500000 + max_checkm_contamination = 3.0 + min_average_coverage = 50 + } + enterobacter { + search = "Enterobacter" + raw_average_quality = 30 + min_n50 = 100000 + max_n50 = 6500000 + min_nr_contigs = 1 + max_nr_contigs = 500 + min_length = 4500000 + max_length = 6500000 + max_checkm_contamination = 3.0 + min_average_coverage = 50 + } + citrobacter { + search = "Citrobacter" + raw_average_quality = 30 + min_n50 = 100000 + max_n50 = 6500000 + min_nr_contigs = 1 + max_nr_contigs = 500 + min_length = 4500000 + max_length = 6500000 + max_checkm_contamination = 3.0 + min_average_coverage = 50 + } + acinetobacter { + search = "Acinetobacter" + raw_average_quality = 30 + min_n50 = 100000 + max_n50 = 6500000 + min_nr_contigs = 1 + max_nr_contigs = 500 + min_length = 4500000 + max_length = 6500000 + max_checkm_contamination = 3.0 + min_average_coverage = 50 + } + pseudomonas { + search = "Pseudomonas" + raw_average_quality = 30 min_n50 = 100000 + max_n50 = 7000000 + min_nr_contigs = 1 + max_nr_contigs = 500 + min_length = 5000000 + max_length = 7000000 + max_checkm_contamination = 3.0 + min_average_coverage = 50 + } + enterococcus { + search = "Enterococcus" + raw_average_quality = 30 + min_n50 = 15000 max_n50 = 3500000 min_nr_contigs = 1 max_nr_contigs = 550 - fixed_genome_size = 3500000 - min_length = 2000000 + min_length = 2500000 max_length = 3500000 max_checkm_contamination = 3.0 - min_average_coverage = 30 + min_average_coverage = 50 + } + clostridioides { + search = "Clostridioides" + raw_average_quality = 30 + min_n50 = 20000 + max_n50 = 4500000 + min_nr_contigs = 1 + max_nr_contigs = 600 + min_length = 4000000 + max_length = 4500000 + max_checkm_contamination = 3.0 + min_average_coverage = 50 } fallthrough { search = "No organism specific QC data available." From 7093f011a654c470ad683e696053aa945a9fabe5 Mon Sep 17 00:00:00 2001 From: Matthew Wells <76452933+mattheww95@users.noreply.github.com> Date: Wed, 4 Sep 2024 15:44:12 -0500 Subject: [PATCH 44/44] updated parameters for allele schema (#104) * updated parameters for allele schema * updated changelog * fixed error in parameter updates * fixed misspelled param * updated test config * updated CLI argument * dropped allele scheme used from the irida-next config * updated tests to pass * updated container default settings * updated changelog and version --- CHANGELOG.md | 6 +- conf/irida_next.config | 1 - modules/local/locidex_select.nf | 8 +- nextflow.config | 94 ++++++++++--------- nextflow_schema.json | 39 +++++--- subworkflows/local/locidex.nf | 6 +- .../locidex_select/locidex_select.nf.test | 4 +- tests/pipelines/main.from_assemblies.nf.test | 6 +- workflows/PostAssembly.nf | 4 +- 9 files changed, 92 insertions(+), 76 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 6c7fe759..b4aaf28c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,8 +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). -## Unreleased - +## [0.4.0] - 2024-09-04 ### `Changed` @@ -16,6 +15,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Updated TSeemann's MLST default container to use version 2.23.0 of `mlst`. See [PR 97](https://github.com/phac-nml/mikrokondo/pull/97) +- Moved allele schema parameters under one option in the nextflow_schema.json. See [PR 104](https://github.com/phac-nml/mikrokondo/pull/104) + ### `Fixed` @@ -142,6 +143,7 @@ Initial release of phac-nml/mikrokondo. Mikrokondo currently supports: read trim - Added integration testing using [nf-test](https://www.nf-test.com/). +[0.4.0]: https://github.com/phac-nml/mikrokondo/releases/tag/0.4.0 [0.3.0]: https://github.com/phac-nml/mikrokondo/releases/tag/0.3.0 [0.2.1]: https://github.com/phac-nml/mikrokondo/releases/tag/0.2.1 [0.2.0]: https://github.com/phac-nml/mikrokondo/releases/tag/0.2.0 diff --git a/conf/irida_next.config b/conf/irida_next.config index 9f042d7c..24cc2d07 100755 --- a/conf/irida_next.config +++ b/conf/irida_next.config @@ -152,7 +152,6 @@ iridanext { "IdentificationMethod", "meta.downsampled", "SpeciesTopHit", - "AlleleSchemeUsed", "LocidexDatabaseInformation.db_name", "LocidexDatabaseInformation.db_date", "LocidexDatabaseInformation.db_version", diff --git a/modules/local/locidex_select.nf b/modules/local/locidex_select.nf index 367c6d16..04ee4056 100644 --- a/modules/local/locidex_select.nf +++ b/modules/local/locidex_select.nf @@ -53,21 +53,21 @@ process LOCIDEX_SELECT { def report_name = "${meta.id}_${params.locidex.db_config_output_name}" output_config = task.workDir.resolve(report_name) - if(params.allele_scheme == null && params.locidex.allele_database == null){ + if(params.override_allele_scheme == null && params.locidex.allele_database == null){ error("Allele calling is enabled but there is no allele scheme or locidex allele database location present.") } if(config){ // non null channel should evaluate to true if(manifest){ - log.warn "A database manifest file was passed along with a config file. Using the allele database specified by '--allele_scheme' " + log.warn "A database manifest file was passed along with a config file. Using the allele database specified by '--override_allele_scheme' " } // Create output summary data for a locidex allele database if an allele scheme is passed in directly def jsonSlurper = new JsonSlurper() String json_data = config.text def locidex_config_data = jsonSlurper.parseText(json_data) - validate_locidex_db(locidex_config_data, params.allele_scheme) + validate_locidex_db(locidex_config_data, params.override_allele_scheme) write_config_data(locidex_config_data, output_config) - scheme = params.allele_scheme // reset the schem path to the passed allele scheme + scheme = params.override_allele_scheme // reset the schem path to the passed allele scheme paired_p = true }else{ diff --git a/nextflow.config b/nextflow.config index 50d62850..99bd7e75 100644 --- a/nextflow.config +++ b/nextflow.config @@ -111,6 +111,10 @@ params { // SISTR parameters sr_full_cgmlst = true // Use full set of cgMLST alleles which can include highly similar alleles + // Allele Scheme Options + override_allele_scheme = null // Supply an allele scheme that will be used for allele calling of all samples + lx_allele_database = null // A path to the locidex manifest.json file needed for allele calling. + // Locidex Options lx_min_evalue = 0.0001 lx_min_dna_len = 1 @@ -127,10 +131,6 @@ params { lx_report_prop = "locus_name" lx_report_max_ambig = 0 lx_report_max_stop = 0 - lx_allele_database = null - - // Overide an allele calling scheme, this will be applied globally if auto selection is not opted for - allele_scheme = null // Boilerplate options @@ -1044,58 +1044,64 @@ profiles { cleanup = false } docker { - docker.enabled = true - singularity.enabled = false - podman.enabled = false - shifter.enabled = false - charliecloud.enabled = false - apptainer.enabled = false + docker.enabled = true + conda.enabled = false + singularity.enabled = false + podman.enabled = false + shifter.enabled = false + charliecloud.enabled = false + apptainer.enabled = false + docker.runOptions = '-u $(id -u):$(id -g)' } arm { docker.runOptions = '-u $(id -u):$(id -g) --platform=linux/amd64' } singularity { - singularity.enabled = true - singularity.autoMounts = true - docker.enabled = false - podman.enabled = false - shifter.enabled = false - charliecloud.enabled = false - apptainer.enabled = false + singularity.enabled = true + singularity.autoMounts = true + conda.enabled = false + docker.enabled = false + podman.enabled = false + shifter.enabled = false + charliecloud.enabled = false + apptainer.enabled = false } podman { - podman.enabled = true - docker.enabled = false - singularity.enabled = false - shifter.enabled = false - charliecloud.enabled = false - apptainer.enabled = false + podman.enabled = true + conda.enabled = false + docker.enabled = false + singularity.enabled = false + shifter.enabled = false + charliecloud.enabled = false + apptainer.enabled = false } shifter { - shifter.enabled = true - docker.enabled = false - singularity.enabled = false - podman.enabled = false - charliecloud.enabled = false - apptainer.enabled = false + shifter.enabled = true + conda.enabled = false + docker.enabled = false + singularity.enabled = false + podman.enabled = false + charliecloud.enabled = false + apptainer.enabled = false } charliecloud { - charliecloud.enabled = true - docker.enabled = false - singularity.enabled = false - podman.enabled = false - shifter.enabled = false - apptainer.enabled = false + charliecloud.enabled = true + conda.enabled = false + docker.enabled = false + singularity.enabled = false + podman.enabled = false + shifter.enabled = false + apptainer.enabled = false } apptainer { - apptainer.enabled = true - apptainer.autoMounts = true - conda.enabled = false - docker.enabled = false - singularity.enabled = false - podman.enabled = false - shifter.enabled = false - charliecloud.enabled = false + apptainer.enabled = true + apptainer.autoMounts = true + conda.enabled = false + docker.enabled = false + singularity.enabled = false + podman.enabled = false + shifter.enabled = false + charliecloud.enabled = false } gitpod { executor.name = 'local' @@ -1188,7 +1194,7 @@ manifest { description = """Mikrokondo""" mainScript = 'main.nf' nextflowVersion = '!>=23.04.0' - version = '0.3.0' + version = '0.4.0' defaultBranch = 'main' doi = '' } diff --git a/nextflow_schema.json b/nextflow_schema.json index ca2c16b0..6f1aa771 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -110,13 +110,6 @@ "exists": true, "format": "directory-path", "hidden": true - }, - "allele_scheme": { - "type": "string", - "pattern": "^\\S+$", - "exists": true, - "format": "directory-path", - "description": "An allele scheme to to use for Locidex" } }, "required": [ @@ -126,6 +119,28 @@ ], "description": "The location of databases used by mikrokondo" }, + "allele_schema_options": { + "title": "Allele Schema Options", + "type": "object", + "description": "Specify an allele calling schema.", + "default": "", + "properties": { + "lx_allele_database": { + "type": "string", + "description": "The path to a folder containing a collection of locidex databases to allow for automatic allele database selection. The folder should contain a 'manifest.json' file created by locidex. If you wish to force a certain allele scheme to be used you can specify an option for the `override_allele_scheme` argument which will perform allele calling with the specified scheme.", + "pattern": "^\\S+$", + "exists": true, + "format": "directory-path" + }, + "override_allele_scheme": { + "type": "string", + "description": "Specify the path to an allele calling schema to be used. This schema will be used for allele calling of all samples.", + "exists": true, + "pattern": "^\\S+$", + "format": "directory-path" + } + } + }, "institutional_config_options": { "title": "Institutional config options", "type": "object", @@ -664,13 +679,6 @@ "default": 0, "description": "Maximum number of internal stop codons allowed in a sequence.", "minimum": 0 - }, - "lx_allele_database": { - "type": "string", - "description": "Folder of locidex databases. The folder should contain a 'manifest.json' file created by locidex", - "pattern": "^\\S+$", - "exists": true, - "format": "directory-path" } } }, @@ -743,6 +751,9 @@ { "$ref": "#/definitions/databases_and_pre_computed_files" }, + { + "$ref": "#/definitions/allele_schema_options" + }, { "$ref": "#/definitions/institutional_config_options" }, diff --git a/subworkflows/local/locidex.nf b/subworkflows/local/locidex.nf index 0b4844e1..257bf4d4 100644 --- a/subworkflows/local/locidex.nf +++ b/subworkflows/local/locidex.nf @@ -16,16 +16,16 @@ workflow LOCIDEX { paired_species = top_hit.join(contigs) paired_dbs = Channel.empty() - if(params.allele_scheme == null && params.locidex.allele_database == null && !params.skip_allele_calling){ + if(params.override_allele_scheme == null && params.locidex.allele_database == null && !params.skip_allele_calling){ error("Allele calling is enabled, but no locidex database directory has been configured.") } def manifest_file = [] // Default empty values for entries def config_file = [] - if(params.allele_scheme != null){ + if(params.override_allele_scheme != null){ // allele scheme over rides the the manifest file - def config_file_in = [params.allele_scheme, params.locidex.config_data_file].join(File.separator) + def config_file_in = [params.override_allele_scheme, params.locidex.config_data_file].join(File.separator) config_file = file(config_file_in, checkIfExists: true) }else{ def manifest_file_in = [params.locidex.allele_database, params.locidex.manifest_name].join(File.separator) diff --git a/tests/modules/local/locidex_select/locidex_select.nf.test b/tests/modules/local/locidex_select/locidex_select.nf.test index 6d272cc4..183a41b9 100644 --- a/tests/modules/local/locidex_select/locidex_select.nf.test +++ b/tests/modules/local/locidex_select/locidex_select.nf.test @@ -241,7 +241,7 @@ nextflow_process { params { outdir = "locidex_select" lx_allele_database = null - allele_scheme = null + override_allele_scheme = null } } @@ -351,7 +351,7 @@ nextflow_process { params { outdir = "locidex_select" - allele_scheme = "${projectDir}/tests/data/databases/locidex_dbs/locidex_vc" + override_allele_scheme = "${projectDir}/tests/data/databases/locidex_dbs/locidex_vc" lx_allele_database = "${projectDir}/tests/data/databases/locidex_dbs" } diff --git a/tests/pipelines/main.from_assemblies.nf.test b/tests/pipelines/main.from_assemblies.nf.test index 411c9e8d..99946300 100644 --- a/tests/pipelines/main.from_assemblies.nf.test +++ b/tests/pipelines/main.from_assemblies.nf.test @@ -341,7 +341,7 @@ nextflow_pipeline { skip_subtyping = false skip_allele_calling = false - allele_scheme = "$baseDir/tests/data/databases/locidex_dbs/locidex_salm" + override_allele_scheme = "$baseDir/tests/data/databases/locidex_dbs/locidex_salm" max_memory = "2.GB" max_cpus = 1 @@ -707,7 +707,6 @@ nextflow_pipeline { assert iridanext_samples.st_120.findAll { it.path == "Assembly/Subtyping/Locidex/Report/st_120.locidex.report.profile.mlst.subtyping.json.gz" }.size() == 1 assert iridanext_samples.st_120.findAll { it.path == "Assembly/Subtyping/Locidex/Summary/st_120.locidex.summary.json" }.size() == 1 - assert vibrio_metadata.AlleleSchemeUsed.contains("locidex_dbs/locidex_vc") assert vibrio_metadata.locidex_db_name == "Vibrio cholerae" assert vibrio_metadata.locidex_db_date == "2024-07-30" assert vibrio_metadata.locidex_db_version == "1.0.0" @@ -740,7 +739,7 @@ nextflow_pipeline { mash_sketch = "https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/databases/mash.msh" dehosting_idx = "https://github.com/phac-nml/mikrokondo/raw/dev/tests/data/databases/campy.mmi" kraken2_db = "$baseDir/tests/data/kraken2/test" - allele_scheme= "$baseDir/tests/data/databases/locidex_dbs/locidex_vc" + override_allele_scheme= "$baseDir/tests/data/databases/locidex_dbs/locidex_vc" qt_min_contig_length = 1 skip_bakta = true @@ -780,7 +779,6 @@ nextflow_pipeline { assert iridanext_samples.st_120.findAll { it.path == "Assembly/Subtyping/Locidex/Report/st_120.locidex.report.profile.mlst.subtyping.json.gz" }.size() == 1 assert iridanext_samples.st_120.findAll { it.path == "Assembly/Subtyping/Locidex/Summary/st_120.locidex.summary.json" }.size() == 1 - assert vibrio_metadata.AlleleSchemeUsed.contains("locidex_dbs/locidex_vc") assert vibrio_metadata.locidex_db_name == "Vibrio cholerae_1" assert vibrio_metadata.locidex_db_date == "2024-08-01" assert vibrio_metadata.locidex_db_version == "1.0.0" diff --git a/workflows/PostAssembly.nf b/workflows/PostAssembly.nf index 754187e8..8c7d5d54 100644 --- a/workflows/PostAssembly.nf +++ b/workflows/PostAssembly.nf @@ -95,12 +95,12 @@ workflow POST_ASSEMBLY { if(!params.skip_allele_calling){ - if (!params.skip_species_classification || params.allele_scheme){ + if (!params.skip_species_classification || params.override_allele_scheme){ LOCIDEX(ch_filtered_contigs, top_hit) ch_versions = ch_versions.mix(LOCIDEX.out.versions) ch_reports = ch_reports.mix(LOCIDEX.out.reports) }else{ - log.info "Skipping locidex since there is no '--allele_scheme' set and '--skip_species_classification' is enabled" + log.info "Skipping locidex since there is no '--override_allele_scheme' set and '--skip_species_classification' is enabled" } }

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