mosdef-hub / foyer

A package for atom-typing as well as applying and disseminating forcefields

https://foyer.mosdef.org

MIT License

117 stars 76 forks source link

Use github actions for CI #503

Closed umesh-timalsina closed 2 years ago

umesh-timalsina commented 2 years ago

This workflow ditches azure pipelines for good. GHA is much better integrated with github and makes life a bit easier with a lot of opensource actions.

codecov[bot] commented 2 years ago

Codecov Report

Merging #503 (5344758) into main (3d77c3f) will decrease coverage by 0.53%. The diff coverage is n/a.

@@            Coverage Diff             @@
##             main     #503      +/-   ##
==========================================
- Coverage   74.22%   73.68%   -0.54%     
==========================================
  Files          17       17              
  Lines        1901     1919      +18     
==========================================
+ Hits         1411     1414       +3     
- Misses        490      505      +15

daico007 commented 2 years ago

GHA Windows build with Py38 still has the same fail as Azure: ImportError: DLL load failed while importing _openmm: The specified module could not be found.

daico007 commented 2 years ago

@umesh-timalsina do you think we need to resolve the issue with the readthedocs build before merging this or is it gonna be a another issue?

umesh-timalsina commented 2 years ago

I think this is good to go. LGTM!! RTD is another issue. I think it stems from a bloat in the environment size because of added dependencies. We might have to look into mocking few of those.