search

xiaoruiDong / RDMC

Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.
https://xiaoruidong.github.io/RDMC/
MIT License
23 stars 1 forks source link

Add all notebooks to test #98

Open shihchengli opened 4 months ago

shihchengli commented 4 months ago

Currently, when a notebook run fails, CI doesn't complain. Adding pytest --no-cov -v --nbmake ipython/*.ipynb into ci.yaml file can support it.

xiaoruiDong commented 4 months ago

Thanks for bringing this up. I like this idea and will try to incorporate it into CI.