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JaGeo / LobsterPy

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
https://jageo.github.io/LobsterPy/
BSD 3-Clause "New" or "Revised" License
74 stars 27 forks source link

Configuration consolidation #235

Closed berquist closed 6 months ago

berquist commented 6 months ago

Part of https://github.com/openjournals/joss-reviews/issues/6286#issuecomment-1961996406

I made the recommendation about pre-commit.ci because I completely missed https://github.com/JaGeo/LobsterPy/blob/7f329bf64568d34937ca61a73fa55ea6d2ed4a3d/.github/workflows/python-package.yml#L13. The only practical difference is that the free service will automatically make PRs for running pre-commit autoupdate, so I don't see a critical need to switch. It is already being run :)

JaGeo commented 6 months ago

Thank you, @berquist . This looks great.

@naik-aakash if you could take a look on Monday as well, this would be great.

naik-aakash commented 6 months ago

Thank you so much @berquist for this PR 😃. @JaGeo, I think these changes could be merged.