diff --git a/CHANGELOG.md b/CHANGELOG.md index a270456c..cb13fc4e 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -61,7 +61,7 @@ The pipeline is using Nextflow DSL2, each process will be run with its own [Bioc | `comet` | 2021010 | | `msgf+` | 2022.01.07 | | `openms` | 2.8.0 | -| `sdrf-pipelines` | 0.0.21 | +| `sdrf-pipelines` | 0.0.22 | | `percolator` | 3.5 | | `pmultiqc` | 0.0.11 | | `luciphor` | 2020_04_03 | diff --git a/bin/diann_convert.py b/bin/diann_convert.py index f830dcd4..971524da 100755 --- a/bin/diann_convert.py +++ b/bin/diann_convert.py @@ -174,7 +174,7 @@ def convert(ctx, folder, dia_params, diann_version, charge, missed_cleavages, qv MTD.loc["", :] = "" PRH.loc[len(PRH) + 1, :] = "" PEH.loc[len(PEH) + 1, :] = "" - with open(os.path.splitext(os.path.basename(exp_design))[0] + "_out.mztab", "w", newline="") as f: + with open(os.path.splitext(os.path.basename(exp_design))[0] + "_out.mzTab", "w", newline="") as f: MTD.to_csv(f, mode="w", sep="\t", index=False, header=False) PRH.to_csv(f, mode="w", sep="\t", index=False, header=True) PEH.to_csv(f, mode="w", sep="\t", index=False, header=True) diff --git a/modules/local/diannconvert/main.nf b/modules/local/diannconvert/main.nf index 5cf397cc..b23534b9 100644 --- a/modules/local/diannconvert/main.nf +++ b/modules/local/diannconvert/main.nf @@ -2,11 +2,11 @@ process DIANNCONVERT { tag "$meta.experiment_id" label 'process_medium' - conda (params.enable_conda ? "conda-forge::pandas_schema conda-forge::lzstring bioconda::pmultiqc=0.0.17" : null) + conda (params.enable_conda ? "conda-forge::pandas_schema conda-forge::lzstring bioconda::pmultiqc=0.0.19" : null) if (workflow.containerEngine == 'singularity' && !params.singularity_pull_docker_container) { - container "https://depot.galaxyproject.org/singularity/pmultiqc:0.0.17--pyhdfd78af_0" + container "https://depot.galaxyproject.org/singularity/pmultiqc:0.0.19--pyhdfd78af_0" } else { - container "quay.io/biocontainers/pmultiqc:0.0.17--pyhdfd78af_0" + container "quay.io/biocontainers/pmultiqc:0.0.19--pyhdfd78af_0" } input: @@ -22,7 +22,7 @@ process DIANNCONVERT { output: path "*msstats_in.csv", emit: out_msstats path "*triqler_in.tsv", emit: out_triqler - path "*.mztab", emit: out_mztab + path "*.mzTab", emit: out_mztab path "versions.yml", emit: version exec: diff --git a/modules/local/generate_diann_cfg/main.nf b/modules/local/generate_diann_cfg/main.nf index 234db9a0..dd586f64 100644 --- a/modules/local/generate_diann_cfg/main.nf +++ b/modules/local/generate_diann_cfg/main.nf @@ -2,11 +2,11 @@ process GENERATE_DIANN_CFG { tag "$meta.experiment_id" label 'process_low' - conda (params.enable_conda ? "conda-forge::pandas_schema bioconda::sdrf-pipelines=0.0.21" : null) + conda (params.enable_conda ? "conda-forge::pandas_schema bioconda::sdrf-pipelines=0.0.22" : null) if (workflow.containerEngine == 'singularity' && !params.singularity_pull_docker_container) { - container "https://depot.galaxyproject.org/singularity/sdrf-pipelines:0.0.21--pyhdfd78af_0" + container "https://depot.galaxyproject.org/singularity/sdrf-pipelines:0.0.22--pyhdfd78af_0" } else { - container "quay.io/biocontainers/sdrf-pipelines:0.0.21--pyhdfd78af_0" + container "quay.io/biocontainers/sdrf-pipelines:0.0.22--pyhdfd78af_0" } input: diff --git a/modules/local/openms/thirdparty/searchenginemsgf/main.nf b/modules/local/openms/thirdparty/searchenginemsgf/main.nf index e10a2954..b67f478b 100644 --- a/modules/local/openms/thirdparty/searchenginemsgf/main.nf +++ b/modules/local/openms/thirdparty/searchenginemsgf/main.nf @@ -74,6 +74,7 @@ process SEARCHENGINEMSGF { -max_precursor_charge $params.max_precursor_charge \\ -min_peptide_length $params.min_peptide_length \\ -max_peptide_length $params.max_peptide_length \\ + -max_missed_cleavages $params.allowed_missed_cleavages \\ -isotope_error_range $params.isotope_error_range \\ -enzyme "${enzyme}" \\ -tryptic ${msgf_num_enzyme_termini} \\ diff --git a/modules/local/pmultiqc/main.nf b/modules/local/pmultiqc/main.nf index 7d6b2b20..7db9298c 100644 --- a/modules/local/pmultiqc/main.nf +++ b/modules/local/pmultiqc/main.nf @@ -1,11 +1,11 @@ process PMULTIQC { label 'process_high' - conda (params.enable_conda ? "conda-forge::pandas_schema conda-forge::lzstring bioconda::pmultiqc=0.0.17" : null) + conda (params.enable_conda ? "conda-forge::pandas_schema conda-forge::lzstring bioconda::pmultiqc=0.0.19" : null) if (workflow.containerEngine == 'singularity' && !params.singularity_pull_docker_container) { - container "https://depot.galaxyproject.org/singularity/pmultiqc:0.0.17--pyhdfd78af_0" + container "https://depot.galaxyproject.org/singularity/pmultiqc:0.0.19--pyhdfd78af_0" } else { - container "quay.io/biocontainers/pmultiqc:0.0.17--pyhdfd78af_0" + container "quay.io/biocontainers/pmultiqc:0.0.19--pyhdfd78af_0" } input: diff --git a/modules/local/preprocess_expdesign.nf b/modules/local/preprocess_expdesign.nf index 7369730a..2b35d94d 100644 --- a/modules/local/preprocess_expdesign.nf +++ b/modules/local/preprocess_expdesign.nf @@ -4,7 +4,7 @@ // accept different file endings already? process PREPROCESS_EXPDESIGN { - conda (params.enable_conda ? "bioconda::sdrf-pipelines=0.0.21 conda-forge::pandas" : null) + conda (params.enable_conda ? "bioconda::sdrf-pipelines=0.0.22 conda-forge::pandas" : null) label 'process_very_low' label 'process_single_thread' diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf index 2e90301d..b37fb965 100644 --- a/modules/local/samplesheet_check.nf +++ b/modules/local/samplesheet_check.nf @@ -1,10 +1,10 @@ process SAMPLESHEET_CHECK { - conda (params.enable_conda ? "bioconda::sdrf-pipelines=0.0.21" : null) + conda (params.enable_conda ? "bioconda::sdrf-pipelines=0.0.22" : null) container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/sdrf-pipelines:0.0.21--pyhdfd78af_0' : - 'quay.io/biocontainers/sdrf-pipelines:0.0.21--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/sdrf-pipelines:0.0.22--pyhdfd78af_0' : + 'quay.io/biocontainers/sdrf-pipelines:0.0.22--pyhdfd78af_0' }" input: path input_file @@ -24,7 +24,7 @@ process SAMPLESHEET_CHECK { cat <<-END_VERSIONS > versions.yml "${task.process}": - sdrf-pipelines: \$(echo "0.0.21") + sdrf-pipelines: \$(echo "0.0.22") END_VERSIONS """ } diff --git a/modules/local/sdrfparsing/main.nf b/modules/local/sdrfparsing/main.nf index 65b88c6b..1dacccdd 100644 --- a/modules/local/sdrfparsing/main.nf +++ b/modules/local/sdrfparsing/main.nf @@ -2,10 +2,10 @@ process SDRFPARSING { tag "$sdrf.Name" label 'process_low' - conda (params.enable_conda ? "conda-forge::pandas_schema bioconda::sdrf-pipelines=0.0.21" : null) + conda (params.enable_conda ? "conda-forge::pandas_schema bioconda::sdrf-pipelines=0.0.22" : null) container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/sdrf-pipelines:0.0.21--pyhdfd78af_0' : - 'quay.io/biocontainers/sdrf-pipelines:0.0.21--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/sdrf-pipelines:0.0.22--pyhdfd78af_0' : + 'quay.io/biocontainers/sdrf-pipelines:0.0.22--pyhdfd78af_0' }" input: path sdrf @@ -31,7 +31,7 @@ process SDRFPARSING { cat <<-END_VERSIONS > versions.yml "${task.process}": - sdrf-pipelines: \$(echo "0.0.21") + sdrf-pipelines: \$(echo "0.0.22") END_VERSIONS """ }