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OpenFreeEnergy / openfe

The Open Free Energy toolkit
https://docs.openfree.energy
MIT License
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Unpin rdkit on mypy #844

Closed IAlibay closed 4 months ago

IAlibay commented 5 months ago

Opening up this PR so we remember to do this.

@mikemhenry I believe you put the pin in, do you know if there's an issue upstream to work out why this duplicate self is happening?

mikemhenry commented 4 months ago

Yes the error was that there was a syntax error with the rdkit typing stubs and that pinned version fixed it, I can try and fix that on #733

mikemhenry commented 4 months ago

This is the mypy error: /home/runner/micromamba/envs/openfe_env/lib/python3.11/site-packages/rdkit-stubs/Chem/rdMolDescriptors.pyi:247: error: Duplicate argument "self" in function definition seen with rdkit 2024.03.2 py311h1d78c4b_0 conda-forge

I will see if 2023.09.5 works but with python relaxed (it was pined to 3.9 which was causing the issues with the env solving).

mikemhenry commented 4 months ago

Also see https://github.com/rdkit/rdkit/issues/7401