search

openmm / openmmforcefields

CHARMM and AMBER forcefields for OpenMM (with small molecule support)
http://openmm.org
Other
223 stars 78 forks source link

enable espaloma tests on python 3.12 #335

Open mikemhenry opened 2 months ago

mikemhenry commented 2 months ago

Need to update espaloma to use newer dgl, I think I have done this but need to follow up

espaloma 0.3.2 would require
      │     └─ dgl 1.1.2.*  with the potential options
      │        ├─ dgl 1.1.2 would require
      │        │  └─ python_abi 3.10.* *_cp310, which can be installed;
      │        ├─ dgl 1.1.2 would require
      │        │  └─ python_abi 3.11.* *_cp311, which can be installed;
      │        └─ dgl 1.1.2 would require
      │           └─ python_abi 3.9.* *_cp39, which can be installed;
mikemhenry commented 2 months ago

This would also enable osx-arm64 support since we have builds for that arch on newer dgl