Commit 0d3ded33 authored by Laurent Modolo's avatar Laurent Modolo
Browse files

Merge branch 'master' into 'dev'

Master

See merge request pipelines/nextflow!4
parents 53680ef9 4a6cde0b
......@@ -13,15 +13,15 @@ highlight: tango
The goal of this practical is to learn how to *wrap* tools in [Docker](https://www.docker.com/what-docker) or [Environment Module](http://www.ens-lyon.fr/PSMN/doku.php?id=documentation:tools:modules) to make them available to nextflow on a personal computer or at the [PSMN](http://www.ens-lyon.fr/PSMN/doku.php).
Here we assume that you followed the [TP for experimental biologists](./TP_experimental_biologists.md), and that you know the basics on [Docker containers](https://www.docker.com/what-container) and [Environment Module](http://www.ens-lyon.fr/PSMN/doku.php?id=documentation:tools:modules) usage. We are also going to assume that you know how to build and use a nextflow pipeline from the template [pipelines/nextflow](https://gitlab.biologie.ens-lyon.fr/pipelines/nextflow).
Here we assume that you followed the [TP for experimental biologists](./TP_experimental_biologists.md), and that you know the basics of [Docker containers](https://www.docker.com/what-container) and [Environment Module](http://www.ens-lyon.fr/PSMN/doku.php?id=documentation:tools:modules). We are also going to assume that you know how to build and use a nextflow pipeline from the template [pipelines/nextflow](https://gitlab.biologie.ens-lyon.fr/pipelines/nextflow).
For the practical you can either work with the WebIDE of Gitlab, or locally as described in [git : the basis formation](https://gitlab.biologie.ens-lyon.fr/formations/git_basis).
For the practical you can either work with the WebIDE of Gitlab, or locally as described in the [git: basis formation](https://gitlab.biologie.ens-lyon.fr/formations/git_basis).
# Docker
To run a tool within a [Docker container](https://www.docker.com/what-container) you need to write a `Dockerfile`.
[`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile) are found in the [pipelines/nextflow](https://gitlab.biologie.ens-lyon.fr/pipelines/nextflow) project under `src/docker_modules/`. Each [`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile) are paired with a [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh) file like following the example for `Kallisto` version `0.43.1`:
[`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile) are found in the [pipelines/nextflow](https://gitlab.biologie.ens-lyon.fr/pipelines/nextflow) project under `src/docker_modules/`. Each [`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile) is paired with a [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh) file like following the example for `Kallisto` version `0.43.1`:
```sh
$ ls -l src/docker_modules/Kallisto/0.43.1/
......@@ -33,7 +33,10 @@ drwxr-xr-x 3 laurent users 4.0K Jun 6 09:49 ../
```
## [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh)
The [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh) is a simple sh script with the executable right (`chmod +x`).By executing this script, the user creates the [Docker container](https://www.docker.com/what-container) for the tools in a specific version. You can check the [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh) file of any implemented tools as a template. Remember that the name of the [container](https://www.docker.com/what-container) must be in lower case.
The [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh) is a simple sh script with executable rights (`chmod +x`). By executing this script, the user creates a [Docker container](https://www.docker.com/what-container) with the tool installed a specific version. You can check the [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh) file of any implemented tools as a template.
Remember that the name of the [container](https://www.docker.com/what-container) must be in lower case and in the format `<tool_name>:<version>`.
For tools without a version number you can use a commit hash instead.
## [`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile)
......@@ -48,29 +51,29 @@ MAINTAINER Laurent Modolo
ENV KALLISTO_VERSION=0.44.0
```
This means that we initialize the [container](https://www.docker.com/what-container) from a bare installation of Ubuntu 18.04. You can check the ubuntu available versions [here](https://hub.docker.com/_/ubuntu/) or others operating systems like [debian](https://hub.docker.com/_/debian/) or [worst](https://hub.docker.com/r/microsoft/windowsservercore/).
The `FROM` instruction means that the [container](https://www.docker.com/what-container) is initialized from a bare installation of Ubuntu 18.04. You can check the versions of Ubuntu available [here](https://hub.docker.com/_/ubuntu/) or others operating systems like [debian](https://hub.docker.com/_/debian/) or [worst](https://hub.docker.com/r/microsoft/windowsservercore/).
Then we declare the *maintainer* of the container. Before declaring an environment variable for the container named `KALLISTO_VERSION`, which contains the version of the tool wrapped. This this bash variable will be declared for the user root within the [container](https://www.docker.com/what-container).
You should always declare a variable `TOOLSNAME_VERSION` that contains the version number of commit number of the tools you wrap. In simple cases you just have to modify this line to create a new `Dockerfile` for another version of the tool.
Then we declare the *maintainer* of the container. Before declaring a environment variable for the container named `KALLISTO_VERSION` which contains the version of the tools wrapped. This means that this bash variable will be declared within the [container](https://www.docker.com/what-container).
The following lines of the [`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile) are a succession of `bash` commands executed as the **root** user within the container.
Each `RUN` block is run sequentially by `Docker`. If there is an error or modifications in a `RUN` block, only this block and the following `RUN` will be executed.
You should always declare a variable `TOOLSNAME_VERSION` that contains the version number of commit number of the tools you wrap. Therefore in simple case you just have to modify this line to create a new `Dockerfile` for another version of the tool.
You can learn more about the building of Docker containers [here](https://docs.docker.com/engine/reference/builder/#usage).
The following of the [`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile) is a succession of `bash` commands executed as the **root** user within the container.
When you build your [`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile), instead of launching many times the [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh) script you can connect to a base container in interactive mode to launch tests your commands.
When you build your [`Dockerfile`](./src/docker_modules/Kallisto/0.44.0/Dockerfile), instead of launching many times the [`docker_init.sh`](./src/docker_modules/Kallisto/0.44.0/docker_init.sh) script to tests your [container](https://www.docker.com/what-container), you can connect to a base container in interactive mode to launch tests your commands.
```sh
docker run -it ubuntu:18.04 bash
KALLISTO_VERSION=0.44.0
```
Each `RUN` block is run sequentially by `Docker`. If there is an error or modifications in a `RUN` block, only this block and the following `RUN` will be executed.
# SGE / [PSMN](http://www.ens-lyon.fr/PSMN/doku.php)
You can learn more about the building of Docker containers [here](https://docs.docker.com/engine/reference/builder/#usage).
# SGE
To run easily tools on the PSMN, you need to build your own [Environment Module](http://www.ens-lyon.fr/PSMN/doku.php?id=documentation:tools:modules).
To run easily tools on the [PSMN](http://www.ens-lyon.fr/PSMN/doku.php), you need to build your own [Environment Module](http://www.ens-lyon.fr/PSMN/doku.php?id=documentation:tools:modules).
You can read the Contributing guide of the [PMSN/modules](https://gitlab.biologie.ens-lyon.fr/PSMN/modules) [here](https://gitlab.biologie.ens-lyon.fr/PSMN/modules/blob/master/CONTRIBUTING.md)
You can read the Contributing guide for the [PMSN/modules](https://gitlab.biologie.ens-lyon.fr/PSMN/modules) project [here](https://gitlab.biologie.ens-lyon.fr/PSMN/modules/blob/master/CONTRIBUTING.md)
# Nextflow
......@@ -95,7 +98,7 @@ total 16
The [`kallisto.config`](./src/nf_modules/Kallisto/kallisto.config) file contains instructions for two profiles : `sge` and `docker`.
The [`kallisto.nf`](./src/nf_modules/Kallisto/kallisto.nf) file contains nextflow processes to use `Kallisto`.
The [`tests/tests.sh`](./src/nf_modules/Kallisto/tests/tests.sh) script, contains a series of nextflow calls on the other `.nf` files of the [`tests/`](./src/nf_modules/kallisto/tests/) folder. Those tests correspond to execution of the processes present in the [`kallisto.nf`](./src/nf_modules/Kallisto/kallisto.nf) file on the [LBMC/tiny_dataset](https://gitlab.biologie.ens-lyon.fr/LBMC/tiny_dataset) dataset with the `docker` profile. You can read the *Running the tests* section of the [README.md](https://gitlab.biologie.ens-lyon.fr/pipelines/nextflow/blob/master/README.md).
The [`tests/tests.sh`](./src/nf_modules/Kallisto/tests/tests.sh) script (with executable rights), contains a series of nextflow calls on the other `.nf` files of the [`tests/`](./src/nf_modules/kallisto/tests/) folder. Those tests correspond to execution of the processes present in the [`kallisto.nf`](./src/nf_modules/Kallisto/kallisto.nf) file on the [LBMC/tiny_dataset](https://gitlab.biologie.ens-lyon.fr/LBMC/tiny_dataset) dataset with the `docker` profile. You can read the *Running the tests* section of the [README.md](https://gitlab.biologie.ens-lyon.fr/pipelines/nextflow/blob/master/README.md).
## [`kallisto.config`](./src/nf_modules/Kallisto/kallisto.config)
......@@ -117,8 +120,8 @@ profiles {
### `docker` profile
The `docker` profile start by enabling docker for the whole pipeline. After that you only have to define the container name of each process:
For example, for `Kallisto`, we have:
The `docker` profile starts by enabling docker for the whole pipeline. After that you only have to define the container name for each process:
For example, for `Kallisto` with the version `0.44.0`, we have:
```Groovy
process {
......@@ -133,7 +136,7 @@ process {
### `sge` profile
The `sge` profile define for each process all the information necessary to launch your process on a give queue at the PSMN.
The `sge` profile defines for each process all the informations necessary to launch your process on a given queue with SGE at the [PSMN](http://www.ens-lyon.fr/PSMN/doku.php).
For example, for `Kallisto`, we have:
```Groovy
......@@ -163,23 +166,25 @@ process{
}
```
The `beforeScript` variable is executed before the main script of the corresponding process.
The `beforeScript` variable is executed before the main script for the corresponding process.
## [`kallisto.nf`](./src/nf_modules/Kallisto/kallisto.nf)
The [`kallisto.nf`](./src/nf_modules/Kallisto/kallisto.nf) file contains examples of nextflow process that execute Kallisto.
- Each example must be usable as is to be incorporated in a nextflow pipeline.
- Each example must be usable as it is to be incorporated in a nextflow pipeline.
- You need to define, default value for the parameters passed to the process.
- Input and output must be clearly defined.
- Your process usable as a starting process or a process retrieving the output of another process.
- Your process should be usable as a starting process or a process retrieving the output of another process.
For more informations on processes and channels you can check the [nextflow documentation](https://www.nextflow.io/docs/latest/index.html).
## Making your wrapper available to the LBMC
To make your module available to the LBMC you must have a `tests.sh` script and one or many `docker_init.sh` scripts working without errors .
To make your module available to the LBMC you must have a `tests.sh` script and one or many `docker_init.sh` scripts working without errors.
All the processes in your `.nf` must be covered by the tests.
After pushing your modifications on your forked repository, you can make a Merge Request to the [PSMN/modules](https://gitlab.biologie.ens-lyon.fr/pipelines/nextflow) **dev** branch. Where it will be tested and integrated to the **master** branch.
Then after pushing your modification on your forked repository, you can make a Merge Request to the [PSMN/modules](https://gitlab.biologie.ens-lyon.fr/pipelines/nextflow) **dev** branch. Where it will be tested and
integrated to the **master** branch.
You can read more on this process [here](https://guides.github.com/introduction/flow/)
profiles {
docker {
docker.temp = 'auto'
docker.enabled = true
process {
$adaptor_removal {
container = "cutadapt:1.14"
}
}
}
sge {
process{
$adaptor_removal {
beforeScript = "module purge; module load cutadapt/1.14"
executor = "sge"
cpus = 1
memory = "5GB"
time = "6h"
queueSize = 1000
pollInterval = '60sec'
queue = 'h6-E5-2667v4deb128'
penv = 'openmp8'
}
}
}
}
profiles {
docker {
docker.temp = 'auto'
docker.enabled = true
process {
$trimming {
container = "urqt:d62c1f8"
}
}
}
sge {
process{
$trimming {
beforeScript = "module purge; module load UrQt/d62c1f8"
executor = "sge"
cpus = 4
memory = "5GB"
time = "6h"
queueSize = 1000
pollInterval = '60sec'
queue = 'h6-E5-2667v4deb128'
penv = 'openmp8'
}
}
}
}
profiles {
docker {
docker.temp = 'auto'
docker.enabled = true
process {
$fasta_from_bed {
container = "bedtools:2.25.0"
}
}
}
sge {
process{
$fasta_from_bed {
beforeScript = "module purge; module load BEDtools/2.25.0"
executor = "sge"
cpus = 1
memory = "5GB"
time = "6h"
queueSize = 1000
pollInterval = '60sec'
queue = 'h6-E5-2667v4deb128'
penv = 'openmp8'
}
}
}
}
profiles {
docker {
docker.temp = 'auto'
docker.enabled = true
process {
$index_fasta {
container = "kallisto:0.43.1"
}
$mapping_fastq {
container = "kallisto:0.43.1"
}
}
}
sge {
process{
$index_fasta {
beforeScript = "module purge; module load Kallisto/0.43.1"
executor = "sge"
cpus = 1
memory = "5GB"
time = "6h"
queueSize = 1000
pollInterval = '60sec'
queue = 'h6-E5-2667v4deb128'
penv = 'openmp8'
}
$mapping_fastq {
beforeScript = "module purge; module load Kallisto/0.43.1"
executor = "sge"
cpus = 4
memory = "5GB"
time = "6h"
queueSize = 1000
pollInterval = '60sec'
queue = 'h6-E5-2667v4deb128'
penv = 'openmp8'
}
}
}
}
params.fastq = "$baseDir/data/fastq/*_{1,2}.fastq"
params.fasta = "$baseDir/data/fasta/*.fasta"
params.bed = "$baseDir/data/annot/*.bed"
log.info "fasta file : ${params.fasta}"
log.info "bed file : ${params.bed}"
log.info "fastq files : ${params.fastq}"
Channel
.fromPath( params.fasta )
.ifEmpty { error "Cannot find any fasta files matching: ${params.fasta}" }
.set { fasta_files }
Channel
.fromPath( params.bed )
.ifEmpty { error "Cannot find any bed files matching: ${params.bed}" }
.set { bed_files }
Channel
.fromFilePairs( params.fastq )
.ifEmpty { error "Cannot find any fastq files matching: ${params.fastq}" }
.set { fastq_files }
process adaptor_removal {
tag "$pair_id"
publishDir "results/fastq/adaptor_removal/", mode: 'copy'
input:
set pair_id, file(reads) from fastq_files
output:
file "*_cut_R{1,2}.fastq.gz" into fastq_files_cut
script:
"""
cutadapt -a AGATCGGAAGAG -g CTCTTCCGATCT -A AGATCGGAAGAG -G CTCTTCCGATCT \
-o ${pair_id}_cut_R1.fastq.gz -p ${pair_id}_cut_R2.fastq.gz \
${reads[0]} ${reads[1]} > ${pair_id}_report.txt
"""
}
process trimming {
tag "${reads}"
cpus 4
publishDir "results/fastq/trimming/", mode: 'copy'
input:
file reads from fastq_files_cut
output:
file "*_trim_R{1,2}.fastq.gz" into fastq_files_trim
script:
"""
UrQt --t 20 --m ${task.cpus} --gz \
--in ${reads[0]} --inpair ${reads[1]} \
--out ${reads[0].baseName}_trim_R1.fastq.gz --outpair ${reads[1].baseName}_trim_R2.fastq.gz \
> ${reads[0].baseName}_trimming_report.txt
"""
}
process fasta_from_bed {
tag "${bed.baseName}"
cpus 4
publishDir "results/fasta/", mode: 'copy'
input:
file fasta from fasta_files
file bed from bed_files
output:
file "*_extracted.fasta" into fasta_files_extracted
script:
"""
bedtools getfasta -name \
-fi ${fasta} -bed ${bed} -fo ${bed.baseName}_extracted.fasta
"""
}
process index_fasta {
tag "$fasta.baseName"
publishDir "results/mapping/index/", mode: 'copy'
input:
file fasta from fasta_files_extracted
output:
file "*.index*" into index_files
script:
"""
kallisto index -k 31 --make-unique -i ${fasta.baseName}.index ${fasta} \
> ${fasta.baseName}_kallisto_report.txt
"""
}
process mapping_fastq {
tag "$reads"
cpus 4
publishDir "results/mapping/quantification/", mode: 'copy'
input:
file reads from fastq_files_trim
file index from index_files
output:
file "*" into counts_files
script:
"""
mkdir ${reads[0].baseName}
kallisto quant -i ${index} -t ${task.cpus} \
--bias --bootstrap-samples 100 -o ${reads[0].baseName} \
${reads[0]} ${reads[1]} &> ${reads[0].baseName}_kallisto_report.txt
"""
}
FROM ubuntu:18.04
MAINTAINER Nicolas Fontrodona
ENV HISAT2_VERSION=2.0.0
ENV PACKAGES unzip=6.0* \
gcc=4:7.3.0* \
g++=4:7.3.0* \
make=4.1* \
curl=7.58.0* \
ca-certificates=20180409
RUN apt-get update && \
apt-get install -y --no-install-recommends ${PACKAGES} && \
apt-get clean
RUN curl -k -L http://ccb.jhu.edu/software/hisat2/downloads/hisat2-${HISAT2_VERSION}-beta-source.zip -o hisat2_linux-v${HISAT2_VERSION}.zip && \
unzip hisat2_linux-v${HISAT2_VERSION}.zip && \
cd hisat2-${HISAT2_VERSION}-beta && \
make && \
cp hisat2 /usr/bin && \
cp hisat2-* /usr/bin && \
rm -Rf hisat2-${HISAT2_VERSION}-beta
#!/bin/sh
docker build src/docker_modules/HISAT2/2.0.0 -t 'hisat2:2.0.0'
Channel
.fromPath( "data/tiny_dataset/fasta/*.fasta" )
.set { fasta_file }
process sample_fasta {
publishDir "results/sampling/", mode: 'copy'
input:
file fasta from fasta_file
output:
file "*_sample.fasta" into fasta_sample
script:
"""
head ${fasta} > ${fasta.baseName}_sample.fasta
"""
}
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