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Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

Home Page:https://gromacswrapper.readthedocs.org

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RTD build fails

orbeckst opened this issue · comments

commented

ReadTheDocs now fails the build at the stage

conda env create --quiet --name latest --file /home/docs/checkouts/readthedocs.org/user_builds/gromacswrapper/checkouts/latest/ci/environment.yml


Solving environment: ...working...
Command time: 107s Return: 247

That's all.

Locally,

 conda env create --name gw_latest --file ci/environment.yml

works just fine.

I tried updating the readthedocs.yml file to version 2, but that didn't help.

commented

Possibly similar to readthedocs/readthedocs.org#2651 . Reading https://docs.readthedocs.io/en/stable/guides/build-using-too-many-resources.html and noticing that our conda environment installs from two channels, which can lead to conda consuming too many resources, we should try a minimal environment (maybe we don't even need conda).

Do we really need gromacs (from bioconda) in order to build the docs?

commented

Try minimalist environment in 7dae6fc

  • use packages from the docker image
  • use gromacs from bioconda