Merge pull request #14 from EBI-Metagenomics/modules/checkm2

Added Checkm2 module (tests only in stub mode)

modules/ebi-metagenomics/checkm2/checkm2/main.nf

@@ -0,0 +1,49 @@
+process CHECKM2 {
+    tag "$meta.id"
+    label 'process_single'
+
+    conda "bioconda::checkm2=1.0.1"
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/checkm2:1.0.1--pyh7cba7a3_0':
+        'biocontainers/checkm2:1.0.1--pyh7cba7a3_0' }"
+
+    input:
+    tuple val(meta), path(bins)
+    path checkm_db
+
+    output:
+    tuple val(meta), path("*_checkm_output/quality_report.tsv"),  emit: checkm2_stats
+    path "versions.yml"                                        ,  emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    checkm2 predict --threads ${task.cpus} \
+                    --input ${bins} \
+                    --output-directory ${prefix}_checkm_output \
+                    --database_path ${checkm_db} \
+                    ${args}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        CheckM2 : \$(checkm2 --version)
+    END_VERSIONS
+    """
+
+    stub:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    mkdir -p ${prefix}_checkm_output
+    echo "genome\tcompleteness\tcontamination" > ${prefix}_checkm_output/quality_report.tsv
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        CheckM2 : \$(checkm2 --version)
+    END_VERSIONS
+    """
+}

modules/ebi-metagenomics/checkm2/checkm2/meta.yml

@@ -0,0 +1,47 @@
+---
+name: "checkm2"
+description: Rapid assessment of genome bin quality using machine learning
+keywords:
+  - completeness
+  - contamination
+  - quality
+tools:
+  - "checkm2":
+      description: "CheckM2 - Predicting the quality of metagenome-recovered bins"
+      tool_dev_url: "https://github.com/chklovski/CheckM2/tree/main"
+      doi: "10.1038/s41592-023-01940-w"
+      licence: "['GPL v3']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. `[ id:'test', single_end:false ]`
+  - bins:
+      type: list
+      description: Bins list or folder with bins
+  - checkm_db:
+      type: file
+      description: Checkm2 database
+      pattern: "*.dmnd"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. `[ id:'test', single_end:false ]`
+
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+
+  - checkm2_stats:
+      type: file
+      description: File with completeness and contamination of bins
+      pattern: "*.tsv"
+
+authors:
+  - "@KateSakharova"

modules/ebi-metagenomics/checkm2/download_db/main.nf

@@ -0,0 +1,41 @@
+process CHECKM2_DOWNLOAD_DB {
+
+    label 'process_single'
+
+    conda "bioconda::checkm2=1.0.1"
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/checkm2:1.0.1--pyh7cba7a3_0':
+        'biocontainers/checkm2:1.0.1--pyh7cba7a3_0' }"
+
+    output:
+    path("out/CheckM2_database/*.dmnd")                 , emit: checkm2_db
+    path "versions.yml"                                 , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+
+    """
+    checkm2 database --download --path out
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        CheckM2 : \$(checkm2 --version)
+    END_VERSIONS
+    """
+
+    stub:
+    def args = task.ext.args ?: ''
+
+    """
+    mkdir -p out/CheckM2_database
+    touch out/CheckM2_database/uniref100.KO.1.dmnd
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        CheckM2 : \$(checkm2 --version)
+    END_VERSIONS
+    """
+}

modules/ebi-metagenomics/checkm2/download_db/meta.yml

@@ -0,0 +1,27 @@
+---
+name: "checkm2_download_db"
+description: Download DB for checkm2
+keywords:
+  - completeness
+  - contamination
+  - database
+tools:
+  - "checkm2":
+      description: "CheckM2 - Predicting the quality of metagenome-recovered bins"
+      tool_dev_url: "https://github.com/chklovski/CheckM2/tree/main"
+      doi: "10.1038/s41592-023-01940-w"
+      licence: "['GPL v3']"
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+
+  - checkm2_db:
+      type: file
+      description: Diamond file with checkm2 database
+      pattern: "*.dmnd"
+
+authors:
+  - "@KateSakharova"

tests/config/pytest_modules.yml

@@ -6,6 +6,14 @@ bmtagger/bmtagger:
   - modules/ebi-metagenomics/bmtagger/bmtagger/**
   - tests/modules/ebi-metagenomics/bmtagger/bmtagger/**
 
+checkm2/checkm2:
+  - modules/ebi-metagenomics/checkm2/checkm2/**
+  - tests/modules/ebi-metagenomics/checkm2/checkm2/**
+
+checkm2/download_db:
+  - modules/ebi-metagenomics/checkm2/download_db/**
+  - tests/modules/ebi-metagenomics/checkm2/download_db/**
+
 bmtagger/indexreference:
   - modules/ebi-metagenomics/bmtagger/indexreference/**
   - tests/modules/ebi-metagenomics/bmtagger/indexreference/**

tests/modules/ebi-metagenomics/checkm2/checkm2/main.nf

@@ -0,0 +1,19 @@
+#!/usr/bin/env nextflow
+
+nextflow.enable.dsl = 2
+
+include { CHECKM2               } from '../../../../../modules/ebi-metagenomics/checkm2/checkm2/main.nf'
+include { CHECKM2_DOWNLOAD_DB   } from '../../../../../modules/ebi-metagenomics/checkm2/download_db/main.nf'
+
+workflow test_checkm2 {
+
+    CHECKM2_DOWNLOAD_DB()
+    checkm_db = CHECKM2_DOWNLOAD_DB.out.checkm2_db
+
+    meta = [ id:'test', single_end:false ]
+    input = [
+        meta,
+        [file(params.test_data['sarscov2']['genome']['genome_fasta'], checkIfExists: true)]
+    ]
+    CHECKM2 ( input, checkm_db )
+}

tests/modules/ebi-metagenomics/checkm2/checkm2/nextflow.config

@@ -0,0 +1,5 @@
+process {
+
+    publishDir = { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" }
+
+}

tests/modules/ebi-metagenomics/checkm2/checkm2/test.yml

@@ -0,0 +1,9 @@
+- name: "checkm2 stub"
+  command: nextflow run ./tests/modules/ebi-metagenomics/checkm2/checkm2 -stub -entry test_checkm2 -c ./tests/config/nextflow.config -c ./tests/modules/ebi-metagenomics/checkm2/checkm2/nextflow.config
+  tags:
+    - "checkm2"
+    - "checkm2/checkm2"
+  files:
+    - path: "output/checkm2/test_checkm_output/quality_report.tsv"
+      md5sum: 32e53028a395debce647fa88da2261e5
+    - path: "output/checkm2/versions.yml"

tests/modules/ebi-metagenomics/checkm2/download_db/main.nf

@@ -0,0 +1,11 @@
+#!/usr/bin/env nextflow
+
+nextflow.enable.dsl = 2
+
+include { CHECKM2_DOWNLOAD_DB   } from '../../../../../modules/ebi-metagenomics/checkm2/download_db/main.nf'
+
+workflow test_checkm2_download_db {
+
+    CHECKM2_DOWNLOAD_DB()
+
+}

tests/modules/ebi-metagenomics/checkm2/download_db/nextflow.config

@@ -0,0 +1,5 @@
+process {
+
+    publishDir = { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" }
+
+}

tests/modules/ebi-metagenomics/checkm2/download_db/test.yml

@@ -0,0 +1,12 @@
+# stub is used here as the checkm2 db is 2.9GB and to dowlonad it takes more than GA will allow
+
+- name: checkm2 download_db test_checkm2_download_db
+  command: nextflow run ./tests/modules/ebi-metagenomics/checkm2/download_db -stub -entry test_checkm2_download_db -c ./tests/config/nextflow.config
+  tags:
+    - checkm2
+    - checkm2/download_db
+  files:
+    - path: output/checkm2/out/CheckM2_database/uniref100.KO.1.dmnd
+      should_exist: true
+      # md5sum: 80ddd6a8998e5ebbc79ebbaeaee667f7 REAL db
+    - path: output/checkm2/versions.yml