diff --git a/CHANGELOG.md b/CHANGELOG.md index 3703c7c..2961438 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). +## [v1.0.1](https://github.com/nf-core/reportho/releases/tag/1.0.1) [2024-06-14] + +### `Fixed` + +- Fixed minor bugs that caused compilation errors in the structural alignment section +- Restricted publishing of intermediate files + ## [v1.0.0](https://github.com/nf-core/reportho/releases/tag/1.0.0) - Magnificent Mainsail - [2024-06-11] Although its location and design may vary greatly, the mainsail is always a key source of propulsion for a ship. diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index ba0c77b..6ea5108 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,7 +1,7 @@ report_comment: > - This report has been generated by the nf-core/reportho + This report has been generated by the nf-core/reportho analysis pipeline. For information about how to interpret these results, please see the - documentation. + documentation. report_section_order: "nf-core-reportho-methods-description": order: -1000 diff --git a/conf/modules.config b/conf/modules.config index aba1e3e..096e76d 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -79,6 +79,12 @@ process { withName: 'MERGE_CSV' { ext.args = '-f 1 --outer-join --na 0' + publishDir = [ + path: { "${params.outdir}/orthologs/merge_csv" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, + enabled: params.output_intermediates + ] } withName: 'MAKE_SCORE_TABLE' { @@ -106,6 +112,15 @@ process { ] } + withName: 'MAKE_HITS_TABLE' { + publishDir = [ + path: { "${params.outdir}/orthologs/stats" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, + enabled: params.output_intermediates + ] + } + withName: 'MERGE_HITS' { ext.args = "-u 0 -k" ext.prefix = "aggregated_hits" @@ -116,6 +131,15 @@ process { ] } + withName: 'MAKE_STATS' { + publishDir = [ + path: { "${params.outdir}/orthologs/stats" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, + enabled: params.output_intermediates + ] + } + withName: 'MERGE_STATS' { ext.args = "-u NA" ext.prefix = "aggregated_stats" @@ -159,6 +183,16 @@ process { ] } + withName: 'CREATE_TCOFFEETEMPLATE' { + publishDir = [ + path: { "${params.outdir}/alignment/templates" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, + enabled: params.output_intermediates + ] + + } + withName: 'TCOFFEE_ALIGN|TCOFFEE_3DALIGN' { publishDir = [ path: { "${params.outdir}/alignment/tcoffee" }, @@ -188,6 +222,15 @@ process { ] } + withName: 'CONVERT_PHYLIP' { + publishDir = [ + path: { "${params.outdir}/trees/phylip" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, + enabled: params.output_intermediates + ] + } + withName: 'FASTME' { ext.args = '-p LG' + (params.fastme_bootstrap > 0 ? ' -b ' + params.fastme_bootstrap : '') publishDir = [ @@ -218,6 +261,15 @@ process { ] } + withName: 'CONVERT_FASTA' { + publishDir = [ + path: { "${params.outdir}/report/fasta" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, + enabled: params.output_intermediates + ] + } + withName: 'MAKE_REPORT' { publishDir = [ path: { "${params.outdir}/report" }, diff --git a/modules/local/fetch_afdb_structures.nf b/modules/local/fetch_afdb_structures.nf index 8402712..5e737ee 100644 --- a/modules/local/fetch_afdb_structures.nf +++ b/modules/local/fetch_afdb_structures.nf @@ -26,7 +26,7 @@ process FETCH_AFDB_STRUCTURES { fetch_afdb_structures.py $ids $prefix 2> ${prefix}_af_versions.txt cat <<- END_VERSIONS > versions.yml - "${task.process}" + "${task.process}": Python: \$(python --version | cut -d ' ' -f 2) Python Requests: \$(pip show requests | grep Version | cut -d ' ' -f 2) END_VERSIONS @@ -41,7 +41,7 @@ process FETCH_AFDB_STRUCTURES { touch ${prefix}_af_versions.txt cat <<- END_VERSIONS > versions.yml - "${task.process}" + "${task.process}": Python: \$(python --version | cut -d ' ' -f 2) Python Requests: \$(pip show requests | grep Version | cut -d ' ' -f 2) END_VERSIONS diff --git a/nextflow.config b/nextflow.config index 4db360c..eeab95d 100644 --- a/nextflow.config +++ b/nextflow.config @@ -266,7 +266,7 @@ manifest { description = """A pipeline for ortholog fetching and analysis""" mainScript = 'main.nf' nextflowVersion = '!>=23.04.0' - version = '1.0.0' + version = '1.0.1' doi = '10.5281/zenodo.11574565' } diff --git a/workflows/reportho.nf b/workflows/reportho.nf index 532b03b..673e874 100644 --- a/workflows/reportho.nf +++ b/workflows/reportho.nf @@ -95,7 +95,7 @@ workflow REPORTHO { ch_versions = ch_versions.mix(FETCH_AFDB_STRUCTURES.out.versions) } - ch_structures = params.use_structures ? FETCH_AFDB_STRUCTURES.out.structures : Channel.empty() + ch_structures = params.use_structures ? FETCH_AFDB_STRUCTURES.out.pdb : Channel.empty() ALIGN ( FETCH_SEQUENCES_ONLINE.out.fasta,