Merge pull request #137 from nf-core/dev

Release 2.3.0

.github/PULL_REQUEST_TEMPLATE.md

@@ -18,7 +18,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/baca
 - [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/bacass/tree/master/.github/CONTRIBUTING.md)
 - [ ] If necessary, also make a PR on the nf-core/bacass _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository.
 - [ ] Make sure your code lints (`nf-core lint`).
-- [ ] Check for unexpected warnings in debug mode (`nextflow run . -profile debug,test,docker --outdir <OUTDIR>`).
+- [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir <OUTDIR>`).
 - [ ] Usage Documentation in `docs/usage.md` is updated.
 - [ ] Output Documentation in `docs/output.md` is updated.
 - [ ] `CHANGELOG.md` is updated.

.github/workflows/awsfulltest.yml

@@ -8,12 +8,12 @@ on:
     types: [published]
   workflow_dispatch:
 jobs:
-  run-tower:
+  run-platform:
     name: Run AWS full tests
     if: github.repository == 'nf-core/bacass'
     runs-on: ubuntu-latest
     steps:
-      - name: Launch workflow via tower
+      - name: Launch workflow via Seqera Platform
         uses: seqeralabs/action-tower-launch@v2
         # Add full size test data (but still relatively small datasets for few samples)
         # on the `test_full.config` test runs with only one set of parameters
@@ -32,7 +32,7 @@ jobs:
 
       - uses: actions/upload-artifact@v4
         with:
-          name: Tower debug log file
+          name: Seqera Platform debug log file
           path: |
-            tower_action_*.log
-            tower_action_*.json
+            seqera_platform_action_*.log
+            seqera_platform_action_*.json

.github/workflows/awstest.yml

@@ -5,13 +5,13 @@ name: nf-core AWS test
 on:
   workflow_dispatch:
 jobs:
-  run-tower:
+  run-platform:
     name: Run AWS tests
     if: github.repository == 'nf-core/bacass'
     runs-on: ubuntu-latest
     steps:
-      # Launch workflow using Tower CLI tool action
-      - name: Launch workflow via tower
+      # Launch workflow using Seqera Platform CLI tool action
+      - name: Launch workflow via Seqera Platform
         uses: seqeralabs/action-tower-launch@v2
         with:
           workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }}
@@ -27,7 +27,7 @@ jobs:
 
       - uses: actions/upload-artifact@v4
         with:
-          name: Tower debug log file
+          name: Seqera Platform debug log file
           path: |
-            tower_action_*.log
-            tower_action_*.json
+            seqera_platform_action_*.log
+            seqera_platform_action_*.json

.github/workflows/ci.yml

@@ -28,10 +28,10 @@ jobs:
           - "latest-everything"
     steps:
       - name: Check out pipeline code
-        uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4
+        uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4
 
       - name: Install Nextflow
-        uses: nf-core/setup-nextflow@v1
+        uses: nf-core/setup-nextflow@v2
         with:
           version: "${{ matrix.NXF_VER }}"
 

.github/workflows/download_pipeline.yml

@@ -32,9 +32,12 @@ jobs:
       - name: Install Nextflow
         uses: nf-core/setup-nextflow@v2
 
-      - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5
+      - name: Disk space cleanup
+        uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1
+
+      - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5
         with:
-          python-version: "3.11"
+          python-version: "3.12"
           architecture: "x64"
       - uses: eWaterCycle/setup-singularity@931d4e31109e875b13309ae1d07c70ca8fbc8537 # v7
         with:

.github/workflows/fix-linting.yml

@@ -13,7 +13,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       # Use the @nf-core-bot token to check out so we can push later
-      - uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4
+      - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4
         with:
           token: ${{ secrets.nf_core_bot_auth_token }}
 
@@ -32,9 +32,9 @@ jobs:
           GITHUB_TOKEN: ${{ secrets.nf_core_bot_auth_token }}
 
       # Install and run pre-commit
-      - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5
+      - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5
         with:
-          python-version: 3.11
+          python-version: "3.12"
 
       - name: Install pre-commit
         run: pip install pre-commit

.github/workflows/linting.yml

@@ -14,13 +14,12 @@ jobs:
   pre-commit:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4
+      - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4
 
-      - name: Set up Python 3.11
-        uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5
+      - name: Set up Python 3.12
+        uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5
         with:
-          python-version: 3.11
-          cache: "pip"
+          python-version: "3.12"
 
       - name: Install pre-commit
         run: pip install pre-commit
@@ -32,14 +31,14 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Check out pipeline code
-        uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # v4
+        uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4
 
       - name: Install Nextflow
-        uses: nf-core/setup-nextflow@v1
+        uses: nf-core/setup-nextflow@v2
 
-      - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5
+      - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5
         with:
-          python-version: "3.11"
+          python-version: "3.12"
           architecture: "x64"
 
       - name: Install dependencies
@@ -60,7 +59,7 @@ jobs:
 
       - name: Upload linting log file artifact
         if: ${{ always() }}
-        uses: actions/upload-artifact@5d5d22a31266ced268874388b861e4b58bb5c2f3 # v4
+        uses: actions/upload-artifact@65462800fd760344b1a7b4382951275a0abb4808 # v4
         with:
           name: linting-logs
           path: |

.github/workflows/linting_comment.yml

@@ -11,7 +11,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Download lint results
-        uses: dawidd6/action-download-artifact@f6b0bace624032e30a85a8fd9c1a7f8f611f5737 # v3
+        uses: dawidd6/action-download-artifact@09f2f74827fd3a8607589e5ad7f9398816f540fe # v3
         with:
           workflow: linting.yml
           workflow_conclusion: completed

.github/workflows/release-announcements.yml

@@ -31,7 +31,7 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-      - uses: actions/setup-python@0a5c61591373683505ea898e09a3ea4f39ef2b9c # v5
+      - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5
         with:
           python-version: "3.10"
       - name: Install dependencies

.nf-core.yml

@@ -8,3 +8,4 @@ lint:
   nextflow_config:
     - config_defaults:
         - params.dfast_config
+nf_core_version: "2.14.1"

.pre-commit-config.yaml

@@ -3,6 +3,9 @@ repos:
     rev: "v3.1.0"
     hooks:
       - id: prettier
+        additional_dependencies:
+          - [email protected]
+
   - repo: https://github.com/editorconfig-checker/editorconfig-checker.python
     rev: "2.7.3"
     hooks:

CHANGELOG.md

@@ -3,7 +3,34 @@
 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).
 
-## v2.2.0 nf-core/bacass: "Aqua Platinum Zebrafish" 2024/03/27
+## v2.3.0 nf-core/bacass: "Navy Iron Oyster" 2024/06/12
+
+### `Changed`
+
+- [#135](https://github.com/nf-core/bacass/pull/135) Replaced nf-core MultiQC module with a custom MultiQC module.
+
+### `Added`
+
+- [#135](https://github.com/nf-core/bacass/pull/135) Implementation of KmerFinder subworkflow Custom Quast, and Custom MultiQC Reports:
+
+  - Added KmerFinder subworkflow for read quality control, purity assessment, and sample grouping based on reference genome estimation.
+  - Enhanced Quast Assembly QC to run both general and reference genome-based analyses when KmerFinder is invoked.
+  - Implemented custom MultiQC module with multiqc_config.yml files for different assembly modes (short, long, hybrid).
+  - Generated custom MultiQC HTML report consolidating metrics from KmerFinder, Quast, and other relevant sources.
+
+- [#133](https://github.com/nf-core/bacass/pull/133) Update nf-core/bacass to the new nf-core 2.14.1 `TEMPLATE`.
+
+### `Fixed`
+
+- [#134](https://github.com/nf-core/bacass/pull/134) - Fixed samples reported of prokka/bakta in multiqc report.
+
+- [#125](https://github.com/nf-core/bacass/pull/125) - Fixed conflicting settings in save_trimmed_fail parameter.
+
+### `Dependencies`
+
+### `Deprecated`
+
+## v2.2.0 nf-core/bacass: "Aqua Platinum Zebrafish" 2024/03/30
 
 ### `Changed`
 

README.md

@@ -13,7 +13,7 @@
 [![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/)
 [![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/)
 [![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/)
-[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://tower.nf/launch?pipeline=https://github.com/nf-core/bacass)
+[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://cloud.seqera.io/launch?pipeline=https://github.com/nf-core/bacass)
 
 [![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23bacass-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/bacass)[![Follow on Twitter](http://img.shields.io/badge/twitter-%40nf__core-1DA1F2?labelColor=000000&logo=twitter)](https://twitter.com/nf_core)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core)
 
@@ -29,11 +29,12 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 ### Short Read Assembly
 
-This pipeline is primarily for bacterial assembly of next-generation sequencing reads. It can be used to quality trim your reads using [FastP](https://github.com/OpenGene/fastp) and performs basic sequencing QC using [FastQC](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/). Afterwards, the pipeline performs read assembly using [Unicycler](https://github.com/rrwick/Unicycler). Contamination of the assembly is checked using [Kraken2](https://ccb.jhu.edu/software/kraken2/) to verify sample purity.
+This pipeline is primarily for bacterial assembly of next-generation sequencing reads. It can be used to quality trim your reads using [FastP](https://github.com/OpenGene/fastp) and performs basic sequencing QC using [FastQC](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/). Afterwards, the pipeline performs read assembly using [Unicycler](https://github.com/rrwick/Unicycler). Contamination of the assembly is checked using [Kraken2](https://ccb.jhu.edu/software/kraken2/) and [Kmerfinder](https://bitbucket.org/genomicepidemiology/kmerfinder/src/master/) to verify sample purity.
 
 ### Long Read Assembly
 
-For users that only have Nanopore data, the pipeline quality trims these using [PoreChop](https://github.com/rrwick/Porechop) and assesses basic sequencing QC utilizing [NanoPlot](https://github.com/wdecoster/NanoPlot) and [PycoQC](https://github.com/a-slide/pycoQC).
+For users that only have Nanopore data, the pipeline quality trims these using [PoreChop](https://github.com/rrwick/Porechop) and assesses basic sequencing QC utilizing [NanoPlot](https://github.com/wdecoster/NanoPlot) and [PycoQC](https://github.com/a-slide/pycoQC). Contamination of the assembly is checked using [Kraken2](https://ccb.jhu.edu/software/kraken2/) and [Kmerfinder](https://bitbucket.org/genomicepidemiology/kmerfinder/src/master/) to verify sample purity.
+
 The pipeline can then perform long read assembly utilizing [Unicycler](https://github.com/rrwick/Unicycler), [Miniasm](https://github.com/lh3/miniasm) in combination with [Racon](https://github.com/isovic/racon), [Canu](https://github.com/marbl/canu) or [Flye](https://github.com/fenderglass/Flye) by using the [Dragonflye](https://github.com/rpetit3/dragonflye)(\*) pipeline. Long reads assembly can be polished using [Medaka](https://github.com/nanoporetech/medaka) or [NanoPolish](https://github.com/jts/nanopolish) with Fast5 files.
 
 > [!NOTE]
@@ -47,6 +48,11 @@ For users specifying both short read and long read (NanoPore) data, the pipeline
 
 In all cases, the assembly is assessed using [QUAST](http://bioinf.spbau.ru/quast). The resulting bacterial assembly is furthermore annotated using [Prokka](https://github.com/tseemann/prokka), [Bakta](https://github.com/oschwengers/bakta) or [DFAST](https://github.com/nigyta/dfast_core).
 
+If Kmerfinder is invoked, the pipeline will group samples according to the [Kmerfinder](https://bitbucket.org/genomicepidemiology/kmerfinder/src/master/)-estimated reference genomes. Afterwards, two QUAST steps will be carried out: an initial ('general') [QUAST](http://bioinf.spbau.ru/quast) of all samples without reference genomes, and subsequently, a 'by reference genome' [QUAST](http://bioinf.spbau.ru/quast) to aggregate samples with their reference genomes.
+
+> [!NOTE]
+> This scenario is supported when [Kmerfinder](https://bitbucket.org/genomicepidemiology/kmerfinder/src/master/) analysis is performed only.
+
 ## Usage
 
 > [!NOTE]

assets/multiqc_config.yml

@@ -1,7 +1,7 @@
 report_comment: >
-  This report has been generated by the <a href="https://github.com/nf-core/bacass/releases/tag/2.2.0" target="_blank">nf-core/bacass</a>
+  This report has been generated by the <a href="https://github.com/nf-core/bacass/releases/tag/2.3.0" target="_blank">nf-core/bacass</a>
   analysis pipeline. For information about how to interpret these results, please see the
-  <a href="https://nf-co.re/bacass/2.2.0/docs/output" target="_blank">documentation</a>.
+  <a href="https://nf-co.re/bacass/2.3.0/docs/output" target="_blank">documentation</a>.
 report_section_order:
   "nf-core-bacass-methods-description":
     order: -1000
@@ -13,3 +13,6 @@ report_section_order:
 export_plots: true
 
 disable_version_detection: true
+use_filename_as_sample_name:
+  - prokka
+  - bakta