popelier-group / ichor

Computational Chemistry Data Management Library for Machine Learning Force Field Development
https://ichor.readthedocs.io/
MIT License
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attempt at documentation for ichor v3 #31

Closed m-julian closed 3 years ago

m-julian commented 3 years ago

Attempt to make documentation for ICHOR v3 with sphinx. There are errors because the code in the package is not self-contained, so sphinx executes it when it looks for docstrings, which causes errors. Possible solutions are to add if name == "main" to ichor globals which will most likely cause issues or to change how/where globals are initialized, so it does not impact sphinx autodoc