nf-core_modules/modules/jupyternotebook/main.nf
2022-02-04 09:53:32 +01:00

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include { dump_params_yml; indent_code_block } from "./parametrize"
process JUPYTERNOTEBOOK {
tag "$meta.id"
label 'process_low'
//NB: You likely want to override this with a container containing all required
//dependencies for your analysis. The container at least needs to contain the
//ipykernel, jupytext, papermill and nbconvert Python packages.
conda (params.enable_conda ? "ipykernel=6.0.3 jupytext=1.11.4 nbconvert=6.1.0 papermill=2.3.3 matplotlib=3.4.2" : null)
container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
'https://depot.galaxyproject.org/singularity/mulled-v2-514b1a5d280c7043110b2a8d0a87b57ba392a963:879972fc8bdc81ee92f2bce3b4805d89a772bf84-0' :
'quay.io/biocontainers/mulled-v2-514b1a5d280c7043110b2a8d0a87b57ba392a963:879972fc8bdc81ee92f2bce3b4805d89a772bf84-0' }"
input:
tuple val(meta), path(notebook)
val parameters
path input_files
output:
tuple val(meta), path("*.html"), emit: report
tuple val(meta), path("artifacts/"), emit: artifacts, optional: true
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}"
def parametrize = (task.ext.parametrize == null) ? true : task.ext.parametrize
def implicit_params = (task.ext.implicit_params == null) ? true : task.ext.implicit_params
def meta_params = (task.ext.meta_params == null) ? true : task.ext.meta_params
// Dump parameters to yaml file.
// Using a yaml file over using the CLI params because
// * no issue with escaping
// * allows to pass nested maps instead of just single values
def params_cmd = ""
def render_cmd = ""
if (parametrize) {
nb_params = [:]
if (implicit_params) {
nb_params["cpus"] = task.cpus
nb_params["artifact_dir"] = "artifacts"
nb_params["input_dir"] = "./"
}
if (meta_params) {
nb_params["meta"] = meta
}
nb_params += parameters
params_cmd = dump_params_yml(nb_params)
render_cmd = "papermill -f .params.yml"
} else {
render_cmd = "papermill"
}
"""
set -o pipefail
# Dump .params.yml heredoc (section will be empty if parametrization is disabled)
${indent_code_block(params_cmd, 4)}
# Create output directory
mkdir artifacts
# Set parallelism for BLAS/MKL etc. to avoid over-booking of resources
export MKL_NUM_THREADS="$task.cpus"
export OPENBLAS_NUM_THREADS="$task.cpus"
export OMP_NUM_THREADS="$task.cpus"
export NUMBA_NUM_THREADS="$task.cpus"
# Convert notebook to ipynb using jupytext, execute using papermill, convert using nbconvert
jupytext --to notebook --output - --set-kernel - ${notebook} \\
| ${render_cmd} \\
| jupyter nbconvert --stdin --to html --output ${prefix}.html
cat <<-END_VERSIONS > versions.yml
"${task.process}":
jupytext: \$(jupytext --version)
ipykernel: \$(python -c "import ipykernel; print(ipykernel.__version__)")
nbconvert: \$(jupyter nbconvert --version)
papermill: \$(papermill --version | cut -f1 -d' ')
END_VERSIONS
"""
}