Use conda lock files and micromamba in place of docker images - Githubissues

glotzerlab / hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

http://glotzerlab.engin.umich.edu/hoomd-blue

BSD 3-Clause "New" or "Revised" License

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Use conda lock files and micromamba in place of docker images #1816

Closed joaander closed 1 month ago

joaander commented 1 month ago

Description

Rewrite the workflows to use conda lock files and micromamba to provide most build/test dependencies.
Remove tests on old compilers.
Remove CI checks with ENABLE_LLVM=on.
Checks no longer fail when the validate label is not set. Though validate should still be set on most PRs to ensure the validation tests pass.

The docker container images now provide compilers only.

Motivation and context

Allows targeted changes (e.g. testing with numpy 2.0) to be made locally.

ENABLE_LLVM=on will soon be removed. It is not feasible to test this as compilers provided in the conda environment do not generate valid builds.

How has this been tested?

CI checks.

Change log

Internal change, not required.

Checklist:

[x] I have reviewed the Contributor Guidelines.
[x] I agree with the terms of the HOOMD-blue Contributor Agreement.
[x] My name is on the list of contributors (sphinx-doc/credits.rst) in the pull request source branch.