search

oimeitei / quemb

QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bootstrap embedding technique.
Apache License 2.0
4 stars 6 forks source link

An update to the unittest workflow. #46

Closed ShaunWeatherly closed 1 month ago

ShaunWeatherly commented 1 month ago

Updates our workflow (quemb_unittest.yml) to upload all artifacts generated throughout running pytest.

ShaunWeatherly commented 1 month ago

Right! Added those missing bits so it should all be correct now. The codecov section is commented out but can still be there if someone wants to add it in the future.

I've somewhat arbitrarily picked python versions 3.9, 3.10, and 3.11 to check for now. We can change these of course.