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choderalab / perses

Experiments with expanded ensembles to explore chemical space
http://perses.readthedocs.io
MIT License
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Improve docker building #1200

Closed mikemhenry closed 11 months ago

mikemhenry commented 1 year ago

Description

Motivation and context

Resolves #???

How has this been tested?

Change log

codecov[bot] commented 1 year ago

Codecov Report

Merging #1200 (8b68a0b) into 0.10.x (4834ff7) will increase coverage by 0.07%. Report is 1 commits behind head on 0.10.x. The diff coverage is n/a.

ijpulidos commented 1 year ago

I see running the examples test is failing. We probably need to find a better way to run/test the examples. When I first created this test it was done in a hacky way.

mikemhenry commented 1 year ago

yes, since we pull in with wildcard FAILED tests/test_examples.py::test_examples[/opt/conda/lib/python3.11/site-packages/examples/crosswords/crosswords.py] FAILED tests/test_examples.py::test_examples[/opt/conda/lib/python3.11/site-packages/examples/wordmath/seisseisdoze.py]

mikemhenry commented 11 months ago

Okay if this passes then I need to remove the trigger that builds on a push to the PR branch and we should be good to merge

mikemhenry commented 11 months ago

Ah yes, I forgot I need to make a perses release with the examples removed for this to pass because I use the conda-forge package to create this image.