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sge_modules @ 94be868e
Subproject commit 94be868ea503b4810b110b35520d61f129035967
// SPDX-FileCopyrightText: 2022 Laurent Modolo <laurent.modolo@ens-lyon.fr>
//
// SPDX-License-Identifier: AGPL-3.0-or-later
nextflow.enable.dsl=2
include { fastp } from "./nf_modules/fastp/main.nf"
include { fasta_from_bed } from "./nf_modules/bedtools/main.nf"
include { index_fasta; mapping_fastq } from './nf_modules/kallisto/main.nf' addParams(mapping_fastq_out: "quantification/")
params.fastq = "data/fastq/*_{1,2}.fastq"
log.info "fastq files: ${params.fastq}"
log.info "fasta file : ${params.fasta}"
log.info "bed file : ${params.bed}"
channel
.fromFilePairs( params.fastq, size: -1)
.set { fastq_files }
channel
.fromPath( params.fasta )
.ifEmpty { error "Cannot find any fasta files matching: ${params.fasta}" }
.map { it -> [it.simpleName, it]}
.set { fasta_files }
channel
.fromPath( params.bed )
.ifEmpty { error "Cannot find any bed files matching: ${params.bed}" }
.map { it -> [it.simpleName, it]}
.set { bed_files }
workflow {
fastp(fastq_files)
fasta_from_bed(fasta_files, bed_files)
index_fasta(fasta_from_bed.out.fasta)
mapping_fastq(index_fasta.out.index.collect(), fastp.out.fastq)
}
# SPDX-FileCopyrightText: 2022 Laurent Modolo <laurent.modolo@ens-lyon.fr>
#
# SPDX-License-Identifier: AGPL-3.0-or-later
profiles {
docker {
docker.temp = "auto"
docker.enabled = true
process {
withName: build_synthetic_bed {
container = "lbmc/bedtools:2.25.0"
cpus = 1
}
withName: fasta_from_bed {
container = "lbmc/bedtools:2.25.0"
cpus = 1
}
withName: index_fasta {
container = "lbmc/bowtie2:2.3.4.1"
cpus = 4
}
withName: mapping_fastq_paired {
container = "lbmc/bowtie2:2.3.4.1"
cpus = 4
}
withName: bam_2_fastq_paired {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: filter_bam_paired {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: sort_bam_paired {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: index_bam_paired {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: mapping_fastq_single {
container = "lbmc/bowtie2:2.3.4.1"
cpus = 4
}
withName: bam_2_fastq_single {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: filter_bam_single {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: sort_bam_single {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: index_bam_single {
container = "lbmc/samtools:1.7"
cpus = 4
}
}
}
singularity {
singularity.enabled = true
singularity.cacheDir = "./bin/"
process {
withName: build_synthetic_bed {
container = "lbmc/bedtools:2.25.0"
cpus = 1
}
withName: fasta_from_bed {
container = "lbmc/bedtools:2.25.0"
cpus = 1
}
withName: index_fasta {
container = "lbmc/bowtie2:2.3.4.1"
cpus = 4
}
withName: mapping_fastq_single {
container = "lbmc/bowtie2:2.3.4.1"
cpus = 4
}
withName: mapping_fastq_paired {
container = "lbmc/bowtie2:2.3.4.1"
cpus = 4
}
withName: bam_2_fastq_paired {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: filter_bam_paired {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: sort_bam_paired {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: index_bam_paired {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: bam_2_fastq_single {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: filter_bam_single {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: sort_bam_single {
container = "lbmc/samtools:1.7"
cpus = 4
}
withName: index_bam_single {
container = "lbmc/samtools:1.7"
cpus = 4
}
}
}
psmn {
process{
withName: build_synthetic_bed {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/bedtools_2.25.0"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 1
memory = "20GB"
time = "12h"
queue = "monointeldeb128"
}
withName: fasta_from_bed {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/bedtools_2.25.0"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 1
memory = "20GB"
time = "12h"
queue = "monointeldeb128"
}
withName: index_fasta {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/bowtie2_2.3.4.1"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "20GB"
time = "12h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
withName: mapping_fastq_paired {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/bowtie2_2.3.4.1"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "30GB"
time = "24h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
withName: bam_2_fastq_paired {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/samtools_1.7"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "30GB"
time = "24h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
withName: sort_bam_paired {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/samtools_1.7"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "30GB"
time = "24h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
withName: index_bam_paired {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/samtools_1.7"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "30GB"
time = "24h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
withName: mapping_fastq_single {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/bowtie2_2.3.4.1"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "30GB"
time = "24h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
withName: bam_2_fastq_single {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/samtools_1.7"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "30GB"
time = "24h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
withName: sort_bam_single {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/samtools_1.7"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "30GB"
time = "24h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
withName: index_bam_single {
beforeScript = "source $baseDir/.conda_psmn.sh"
conda = "$baseDir/.conda_envs/samtools_1.7"
executor = "sge"
clusterOptions = "-m e -cwd -V"
cpus = 32
memory = "30GB"
time = "24h"
queue = "CLG6242deb384A,CLG6242deb384C,CLG5218deb192A,CLG5218deb192B,CLG5218deb192C,CLG5218deb192D,SLG5118deb96,SLG6142deb384A,SLG6142deb384B,SLG6142deb384C,SLG6142deb384D"
penv = "openmp32"
}
}
}
ccin2p3 {
singularity.enabled = true
singularity.cacheDir = "$baseDir/.singularity_in2p3/"
singularity.runOptions = "--bind /pbs,/sps,/scratch"
process{
withName: fasta_from_bed {
container = "lbmc/bedtools:2.25.0"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
}
process{
withName: build_synthetic_bed {
container = "lbmc/bedtools:2.25.0"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: fasta_from_bed {
container = "lbmc/bedtools:2.25.0"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: index_fasta {
container = "lbmc/bowtie2:2.3.4.1"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: mapping_fastq_paired {
container = "lbmc/bowtie2:2.3.4.1"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: bam_2_fastq_paired {
container = "lbmc/samtools:1.7"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: sort_bam_paired {
container = "lbmc/samtools:1.7"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: index_bam_paired {
container = "lbmc/samtools:1.7"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: mapping_fastq_single {
container = "lbmc/bowtie2:2.3.4.1"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: bam_2_fastq_single {
container = "lbmc/samtools:1.7"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: sort_bam_single {
container = "lbmc/samtools:1.7"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
withName: index_bam_single {
container = "lbmc/samtools:1.7"
scratch = true
stageInMode = "copy"
stageOutMode = "rsync"
executor = "sge"
clusterOptions = "-P P_lbmc -l os=cl7 -l sps=1 -r n"
cpus = 1
queue = "huge"
}
}
}
}
// SPDX-FileCopyrightText: 2022 Laurent Modolo <laurent.modolo@ens-lyon.fr>
//
// SPDX-License-Identifier: AGPL-3.0-or-later
/*
small pipeline to build a training dataset from whole genome data
input:
- fasta
- fastq
- chromosome
- start position
- stop position
output:
- sort fasta
- sort fastq
example for paired-end data:
./nextflow src/training_dataset.nf -c src/training_dataset.config --fasta "data/genome.fa" --fastq_paired "data/*_R{1,2}.fastq.gz" --chromosome "X" --start 5305683 --stop 5333928 -resume
example for single-end data:
./nextflow src/training_dataset.nf -c src/training_dataset.config --fasta "data/genome.fa" --fastq_single "data/*_R1.fastq.gz" --chromosome "X" --start 5305683 --stop 5333928 -resume
*/
params.fastq_paired = ""
params.fastq_single = ""
log.info "fasta files : ${params.fasta}"
log.info "fastq paired files : ${params.fastq_paired}"
log.info "fastq single files : ${params.fastq_single}"
log.info "chromosome : ${params.chromosome}"
log.info "start position : ${params.start}"
log.info "stop position : ${params.stop}"
Channel
.fromPath( params.fasta )
.ifEmpty { error "Cannot find any index files matching: ${params.fasta}" }
.set { fasta_file }
process build_synthetic_bed {
tag "${chromosome}:${start}-${stop}"
cpus 4
input:
val chromosome from params.chromosome
val start from params.start
val stop from params.stop
output:
file "*.bed" into bed_files
script:
"""
echo "${chromosome}\t${start}\t${stop}" > synthetic.bed
"""
}
process fasta_from_bed {
tag "${fasta.baseName}"
cpus 4
publishDir "results/training/fasta/", mode: 'copy'
input:
file fasta from fasta_file
file bed from bed_files
val chromosome from params.chromosome
output:
file "*.fasta" into fasta_files_extracted
script:
"""
bedtools getfasta \
-fi ${fasta} -bed ${bed} -fo s${fasta.baseName}.fasta
"""
}
process index_fasta {
tag "$fasta.baseName"
cpus 4
publishDir "results/training/mapping/index/", mode: 'copy'
input:
file fasta from fasta_files_extracted
output:
file "*.index*" into index_files
file "*_report.txt" into indexing_report
script:
"""
bowtie2-build --threads ${task.cpus} ${fasta} ${fasta.baseName}.index &> ${fasta.baseName}_bowtie2_report.txt
if grep -q "Error" ${fasta.baseName}_bowtie2_report.txt; then
exit 1
fi
"""
}
if ( params.fastq_paired != "" ) {
Channel
.fromFilePairs( params.fastq_paired )
.ifEmpty { error "Cannot find any fastq files matching: ${params.fastq_paired}" }
.set { fastq_files_paired }
process mapping_fastq_paired {
tag "$pair_id"
cpus 4
input:
set pair_id, file(reads) from fastq_files_paired
file index from index_files.collect()
output:
set pair_id, "*.bam" into bam_files_paired
file "*_report.txt" into mapping_report
script:
index_id = index[0]
for (index_file in index) {
if (index_file =~ /.*\.1\.bt2/ && !(index_file =~ /.*\.rev\.1\.bt2/)) {
index_id = ( index_file =~ /(.*)\.1\.bt2/)[0][1]
}
}
"""
bowtie2 --very-sensitive -p ${task.cpus} -x ${index_id} \
-1 ${reads[0]} -2 ${reads[1]} 2> \
${pair_id}_bowtie2_report.txt | \
samtools view -Sb - > ${pair_id}.bam
if grep -q "Error" ${pair_id}_bowtie2_report.txt; then
exit 1
fi
"""
}
bam_files_paired.into{ bam_files_paired_fa; bam_files_paired_ba}
process bam_2_fastq_paired {
tag "$file_id"
publishDir "results/training/fastq/", mode: 'copy'
input:
set file_id, file(bam) from bam_files_paired_fa
output:
set file_id, "*.fastq" into fastq_files_extracted
script:
"""
samtools fastq -1 s${file_id}_R1.fastq -2 s${file_id}_R2.fastq -F 0x4 ${bam}
"""
}
process filter_bam_paired {
tag "$file_id"
cpus 4
input:
set file_id, file(bam) from bam_files_paired_ba
file bed from bed_files
output:
set file_id, "*.bam" into filtered_bam_files_paired
script:
"""
samtools view -@ ${task.cpus} -hb ${bam} -F 0x4 > f${file_id}.bam
"""
}
process sort_bam_paired {
tag "$file_id"
publishDir "results/training/bams/", mode: 'copy'
cpus 4
input:
set file_id, file(bam) from filtered_bam_files_paired
output:
set file_id, "*.bam" into sorted_bam_files_paired
script:
"""
samtools sort -@ ${task.cpus} -O BAM -o s${file_id}.bam ${bam}
"""
}
process index_bam_paired {
tag "$file_id"
publishDir "results/training/bams/", mode: 'copy'
input:
set file_id, file(bam) from sorted_bam_files_paired
output:
set file_id, "*.bam*" into indexed_bam_file_paired
script:
"""
samtools index ${bam}
"""
}
}
if ( params.fastq_single != "" ) {
Channel
.fromPath( params.fastq_single )
.ifEmpty { error "Cannot find any fastq files matching: ${params.fastq_single}" }
.map { it -> [(it.baseName =~ /([^\.]*)/)[0][1], it]}
.set { fastq_files_single }
process mapping_fastq_single {
tag "$file_id"
cpus 4
input:
set file_id, file(reads) from fastq_files_single
file index from index_files.collect()
output:
set file_id, "*.bam" into bam_files_single
file "*_report.txt" into mapping_report
script:
index_id = index[0]
for (index_file in index) {
if (index_file =~ /.*\.1\.bt2/ && !(index_file =~ /.*\.rev\.1\.bt2/)) {
index_id = ( index_file =~ /(.*)\.1\.bt2/)[0][1]
}
}
"""
bowtie2 --very-sensitive -p ${task.cpus} -x ${index_id} \
-U ${reads} 2> \
${file_id}_bowtie2_report.txt | \
samtools view -Sb - > ${file_id}.bam
if grep -q "Error" ${file_id}_bowtie2_report.txt; then
exit 1
fi
"""
}
bam_files_single.into{ bam_files_single_fa; bam_files_single_ba}
process bam_2_fastq_single {
tag "$file_id"
input:
set file_id, file(bam) from bam_files_single_fa
output:
set file_id, "*.fastq" into fastq_files_extracted
script:
"""
samtools fastq -0 s${file_id}.fastq -F 0x4 ${bam}
"""
}
process filter_bam_single {
tag "$file_id"
cpus 4
input:
set file_id, file(bam) from bam_files_single_ba
file bed from bed_files
output:
set file_id, "*.bam" into filtered_bam_files_single
script:
"""
samtools view -@ ${task.cpus} -hb ${bam} -F 0x4 > f${file_id}.bam
"""
}
process sort_bam_single {
tag "$file_id"
publishDir "results/training/bams/", mode: 'copy'
cpus 4
input:
set file_id, file(bam) from filtered_bam_files_single
output:
set file_id, "*.bam" into sorted_bam_files_single
script:
"""
samtools sort -@ ${task.cpus} -O BAM -o s${file_id}.bam ${bam}
"""
}
process index_bam_single {
tag "$file_id"
publishDir "results/training/bams/", mode: 'copy'
input:
set file_id, file(bam) from sorted_bam_files_single
output:
set file_id, "*.bam*" into indexed_bam_file_single
script:
"""
samtools index ${bam}
"""
}
}