diff --git a/CHANGELOG.md b/CHANGELOG.md index 51af2a11..10d58ad6 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -29,7 +29,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Dependencies` -- quantms-utils==0.0.8 +- quantms-utils==0.0.9 - diann==1.9.1 ### `Parameters` diff --git a/modules/local/add_sage_feat/main.nf b/modules/local/add_sage_feat/main.nf index 3bb49ec5..fbf24692 100644 --- a/modules/local/add_sage_feat/main.nf +++ b/modules/local/add_sage_feat/main.nf @@ -2,10 +2,10 @@ process SAGEFEATURE { tag "$meta.mzml_id" label 'process_low' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: tuple val(meta), path(id_file), path(extra_feat) diff --git a/modules/local/diannconvert/main.nf b/modules/local/diannconvert/main.nf index 7ef355cc..351a70d3 100644 --- a/modules/local/diannconvert/main.nf +++ b/modules/local/diannconvert/main.nf @@ -2,10 +2,10 @@ process DIANNCONVERT { tag "$meta.experiment_id" label 'process_medium' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: path(report) diff --git a/modules/local/extract_psm/main.nf b/modules/local/extract_psm/main.nf index 8de7ca89..c3536736 100644 --- a/modules/local/extract_psm/main.nf +++ b/modules/local/extract_psm/main.nf @@ -2,17 +2,17 @@ process PSMCONVERSION { tag "$meta.mzml_id" label 'process_medium' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: tuple val(meta), path(idxml_file), path(spectrum_df) output: - path "*_psm.csv", emit: psm_info + path "*_psm.parquet", emit: psm_info path "versions.yml", emit: version path "*.log", emit: log diff --git a/modules/local/extract_psm/meta.yml b/modules/local/extract_psm/meta.yml index ea6df519..a4e6db78 100644 --- a/modules/local/extract_psm/meta.yml +++ b/modules/local/extract_psm/meta.yml @@ -25,7 +25,7 @@ output: - psm_info: type: file description: PSM csv file - pattern: "*_psm.csv" + pattern: "*_psm.parquet" - version: type: file description: File containing software version diff --git a/modules/local/generate_diann_cfg/main.nf b/modules/local/generate_diann_cfg/main.nf index 29876fef..a5e40ffb 100644 --- a/modules/local/generate_diann_cfg/main.nf +++ b/modules/local/generate_diann_cfg/main.nf @@ -2,10 +2,10 @@ process GENERATE_DIANN_CFG { tag "$meta.experiment_id" label 'process_low' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: val(meta) diff --git a/modules/local/ms2rescore/main.nf b/modules/local/ms2rescore/main.nf index acd6f722..9306ad46 100644 --- a/modules/local/ms2rescore/main.nf +++ b/modules/local/ms2rescore/main.nf @@ -2,10 +2,10 @@ process MS2RESCORE { tag "$meta.mzml_id" label 'process_high' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" // userEmulation settings when docker is specified containerOptions = (workflow.containerEngine == 'docker') ? '-u $(id -u) -e "HOME=${HOME}" -v /etc/passwd:/etc/passwd:ro -v /etc/shadow:/etc/shadow:ro -v /etc/group:/etc/group:ro -v $HOME:$HOME' : '' diff --git a/modules/local/mzmlstatistics/main.nf b/modules/local/mzmlstatistics/main.nf index 93b70811..2547c12d 100644 --- a/modules/local/mzmlstatistics/main.nf +++ b/modules/local/mzmlstatistics/main.nf @@ -3,10 +3,10 @@ process MZMLSTATISTICS { label 'process_medium' label 'process_single' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: tuple val(meta), path(ms_file) diff --git a/modules/local/preprocess_expdesign.nf b/modules/local/preprocess_expdesign.nf index 88bd9386..c1fbae43 100644 --- a/modules/local/preprocess_expdesign.nf +++ b/modules/local/preprocess_expdesign.nf @@ -6,10 +6,10 @@ process PREPROCESS_EXPDESIGN { tag "$design.Name" label 'process_low' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: path design diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf index 23350781..597a4a08 100644 --- a/modules/local/samplesheet_check.nf +++ b/modules/local/samplesheet_check.nf @@ -3,10 +3,10 @@ process SAMPLESHEET_CHECK { tag "$input_file" label 'process_single' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: path input_file diff --git a/modules/local/sdrfparsing/main.nf b/modules/local/sdrfparsing/main.nf index 5bb4d665..d6dced8b 100644 --- a/modules/local/sdrfparsing/main.nf +++ b/modules/local/sdrfparsing/main.nf @@ -2,10 +2,10 @@ process SDRFPARSING { tag "$sdrf.Name" label 'process_low' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: path sdrf diff --git a/modules/local/spectrum2features/main.nf b/modules/local/spectrum2features/main.nf index 370b1452..fed9f218 100644 --- a/modules/local/spectrum2features/main.nf +++ b/modules/local/spectrum2features/main.nf @@ -2,10 +2,10 @@ process SPECTRUM2FEATURES { tag "$meta.mzml_id" label 'process_low' - conda "bioconda::quantms-utils=0.0.8" + conda "bioconda::quantms-utils=0.0.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.8--pyhdfd78af_0' : - 'biocontainers/quantms-utils:0.0.8--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.9--pyhdfd78af_0' : + 'biocontainers/quantms-utils:0.0.9--pyhdfd78af_0' }" input: tuple val(meta), path(id_file), path(ms_file)