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MDAnalysis / cookiecutter-mdakit

Cookiecutter for Python packages based on MDAnalysis
MIT License
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Setup MDAnalysis matrix for tests #28

Closed lilyminium closed 2 years ago

lilyminium commented 2 years ago

Fixes #15

Yikes, well adding this matrix more than tripled the CI time.

Is this how you envisioned the MDAnalysis matrix @IAlibay?

lilyminium commented 2 years ago

Still in draft status because I want to remove the packaged actions and point to the public repos instead, but that depends on merging https://github.com/MDAnalysis/install-mdanalysis/pull/1 .

However, would be great to get opinions from @IAlibay @orbeckst @fiona-naughton on getting people to test a matrix of MDAnalysis versions this way! Effectively, the environment is still built from a yaml as previously, but the install-mdanalysis action manually uninstalls MDA and re-installs its own version. I think this is the least intrusive way to do it, but would love to hear thoughts