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,