Closed alongd closed 3 years ago
Thanks Alon. @SevyHarris if you have started trying to run AutoTST, could you review this PR?
I installed this environment and exercised the cclib.io code using base_test.py and statmech_test.py and it passed. Also, the example Jupyter notebook still works (at least the parts I was able to get working before updating the environment). Looks good to me!
Thanks Alon! (and Sevy)
Bumped up the version of cclib in environment.yml
See issue #88