diff --git a/modules/local/diann/diann_msstats/main.nf b/modules/local/diann/diann_msstats/main.nf index a767910..b2e96ff 100644 --- a/modules/local/diann/diann_msstats/main.nf +++ b/modules/local/diann/diann_msstats/main.nf @@ -3,8 +3,8 @@ process DIANN_MSSTATS { label 'process_medium' container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.25--pyh106432d_0' : - 'biocontainers/quantms-utils:0.0.25--pyh106432d_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.27--pyh106432d_0' : + 'biocontainers/quantms-utils:0.0.27--pyh106432d_0' }" input: path(report) diff --git a/modules/local/diann/generate_cfg/main.nf b/modules/local/diann/generate_cfg/main.nf index 9a4adef..7acf515 100644 --- a/modules/local/diann/generate_cfg/main.nf +++ b/modules/local/diann/generate_cfg/main.nf @@ -3,8 +3,8 @@ process GENERATE_CFG { label 'process_tiny' container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.25--pyh106432d_0' : - 'biocontainers/quantms-utils:0.0.25--pyh106432d_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.27--pyh106432d_0' : + 'biocontainers/quantms-utils:0.0.27--pyh106432d_0' }" input: val(meta) diff --git a/modules/local/pmultiqc/main.nf b/modules/local/pmultiqc/main.nf index 844fe24..af25267 100644 --- a/modules/local/pmultiqc/main.nf +++ b/modules/local/pmultiqc/main.nf @@ -2,8 +2,8 @@ process PMULTIQC { label 'process_high' container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/pmultiqc:0.0.39--pyhdfd78af_0' : - 'biocontainers/pmultiqc:0.0.39--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/pmultiqc:0.0.42--pyhdfd78af_0' : + 'biocontainers/pmultiqc:0.0.42--pyhdfd78af_0' }" input: path 'results/*' @@ -17,10 +17,10 @@ process PMULTIQC { script: def args = task.ext.args ?: '' - def disable_pmultiqc = (params.enable_pmultiqc) ? "--quantms_plugin" : "" - def disable_table_plots = (params.enable_pmultiqc) && (params.skip_table_plots) ? "--disable_table" : "" - def disable_idxml_index = (params.enable_pmultiqc) && (params.pmultiqc_idxml_skip) ? "--ignored_idxml" : "" - def contaminant_affix = params.contaminant_string ? "--contaminant_affix ${params.contaminant_string}" : "" + def disable_pmultiqc = (params.enable_pmultiqc) ? "--quantms-plugin" : "" + def disable_table_plots = (params.enable_pmultiqc) && (params.skip_table_plots) ? "--disable-table" : "" + def disable_idxml_index = (params.enable_pmultiqc) && (params.pmultiqc_idxml_skip) ? "--ignored-idxml" : "" + def contaminant_affix = params.contaminant_string ? "--contaminant-affix ${params.contaminant_string}" : "" """ set -x diff --git a/modules/local/samplesheet_check/main.nf b/modules/local/samplesheet_check/main.nf index 1c1c9d4..09a1303 100644 --- a/modules/local/samplesheet_check/main.nf +++ b/modules/local/samplesheet_check/main.nf @@ -4,8 +4,8 @@ process SAMPLESHEET_CHECK { label 'process_tiny' container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.25--pyh106432d_0' : - 'biocontainers/quantms-utils:0.0.25--pyh106432d_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.27--pyh106432d_0' : + 'biocontainers/quantms-utils:0.0.27--pyh106432d_0' }" input: path input_file diff --git a/modules/local/sdrf_parsing/main.nf b/modules/local/sdrf_parsing/main.nf index 56b402e..ef9367b 100644 --- a/modules/local/sdrf_parsing/main.nf +++ b/modules/local/sdrf_parsing/main.nf @@ -3,8 +3,8 @@ process SDRF_PARSING { label 'process_tiny' container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/sdrf-pipelines:0.0.33--pyhdfd78af_0' : - 'biocontainers/sdrf-pipelines:0.0.33--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/sdrf-pipelines:0.1.2--pyhdfd78af_0' : + 'biocontainers/sdrf-pipelines:0.1.2--pyhdfd78af_0' }" input: path sdrf diff --git a/modules/local/utils/mzml_statistics/main.nf b/modules/local/utils/mzml_statistics/main.nf index cfa2c2b..86bd694 100644 --- a/modules/local/utils/mzml_statistics/main.nf +++ b/modules/local/utils/mzml_statistics/main.nf @@ -4,8 +4,8 @@ process MZML_STATISTICS { label 'process_single' container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.25--pyh106432d_0' : - 'biocontainers/quantms-utils:0.0.25--pyh106432d_0' }" + 'https://depot.galaxyproject.org/singularity/quantms-utils:0.0.27--pyh106432d_0' : + 'biocontainers/quantms-utils:0.0.27--pyh106432d_0' }" input: tuple val(meta), path(ms_file) diff --git a/workflows/dia.nf b/workflows/dia.nf index e67cb54..c35c7a3 100644 --- a/workflows/dia.nf +++ b/workflows/dia.nf @@ -159,6 +159,7 @@ workflow DIA { emit: versions = ch_software_versions diann_report = diann_main_report + diann_log = FINAL_QUANTIFICATION.out.log msstats_in = DIANN_MSSTATS.out.out_msstats } diff --git a/workflows/quantmsdiann.nf b/workflows/quantmsdiann.nf index 911c39e..9d869ac 100644 --- a/workflows/quantmsdiann.nf +++ b/workflows/quantmsdiann.nf @@ -116,6 +116,7 @@ workflow QUANTMSDIANN { ch_multiqc_files = ch_multiqc_files.mix(ch_multiqc_config) ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) ch_multiqc_files = ch_multiqc_files.mix(FILE_PREPARATION.out.statistics) + ch_multiqc_files = ch_multiqc_files.mix(DIA.out.diann_log) ch_multiqc_files = ch_multiqc_files.mix(ch_collated_versions) ch_multiqc_files = ch_multiqc_files.mix(ch_methods_description.collectFile(name: 'methods_description_mqc.yaml', sort: false)) ch_multiqc_quantms_logo = file("${projectDir}/assets/nf-core-quantmsdiann_logo_light.png")