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singularity support #844

Merged
merged 10 commits into from Apr 28, 2022
Merged

singularity support #844

merged 10 commits into from Apr 28, 2022

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Maarten-vd-Sande
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@Maarten-vd-Sande Maarten-vd-Sande commented Apr 12, 2022

What problem is the PR solving / What's new?

Let's maybe merge this just so I can do more testing with singularity 馃槆 (after a new release we get an automatic singularity container made for us), we won't add any documentation abuot singularity (yet). A nice addition is that it improves some envs of which not all requirements were properly defined.

Support for singularity should be relatively easy with this:

https://snakemake.readthedocs.io/en/stable/snakefiles/deployment.html#ad-hoc-combination-of-conda-package-management-with-containers

related: snakemake/snakemake#1588

Still needs plenty of streamlining, especially to be able to run seq2science itself from singularity, to test currently:

export SINGULARITY_BIND="/scratch/${USER},${CONDA_PREFIX},${TMPDIR},${XDG_CACHE_HOME}"

seq2science run rna-seq --cores 20 --snakemakeOptions use_singularity=True conda_prefix=/scratch/sande/singularity_test/envs

Checklist

  • I made a PR to develop (not master)
  • If applicable: I updated the docs
  • I updated the CHANGELOG
  • These changes are covered by the tests

@Maarten-vd-Sande Maarten-vd-Sande changed the title Update configuration_generic.smk singularity support Apr 14, 2022
@Maarten-vd-Sande Maarten-vd-Sande marked this pull request as ready for review April 28, 2022 09:34
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@siebrenf siebrenf left a comment

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might have to change some run directives to scripts, especially for fastq downloading. Either way, better environments is nice!

@@ -1,6 +1,7 @@
"""
all logic not related to any specific workflows should be here.
"""
container: "docker://quay.io/biocontainers/seq2science:0.7.2--pypyhdfd78af_0"
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this won't break anything right?

@@ -1,4 +1,4 @@
#!/usr/bin/perl
#!/usr/bin/env perl
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might need to add/change shebangs to other scripts too

@Maarten-vd-Sande Maarten-vd-Sande merged commit f52b55b into develop Apr 28, 2022
@Maarten-vd-Sande Maarten-vd-Sande deleted the singularity branch April 28, 2022 11:44
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2 participants