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valence-labs / mess

MESS: Modern Electronic Structure Simulations
https://valence-labs.github.io/mess/
MIT License
20 stars 2 forks source link

Pin pyscf version #14

Closed hatemhelal closed 1 month ago

hatemhelal commented 1 month ago

Make the CI green again for now while we investigate what is causing the xcfunctional tests to fail in pyscf v2.7.0

See #12