choderalab / perses

Experiments with expanded ensembles to explore chemical space

http://perses.readthedocs.io

MIT License

178 stars 50 forks source link

Closed ijpulidos closed 1 year ago

ijpulidos commented 1 year ago

Description

From #1145 our examples directory was populated with many scripts that are not necessarily ready-to-run examples.

These changes avoid trying to run these as part of our CI, solving errors on running tests.

Tested locally running test_examples.py tests.

codecov[bot] commented 1 year ago

Merging #1164 (b35011f) into main (4e36a6b) will decrease coverage by 0.05%. The diff coverage is 80.00%.

mikemhenry commented 1 year ago

Looks like 3.11 needs numba support still, looks like they are close! https://github.com/numba/numba/issues/8304