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mosdef-hub / foyer

A package for atom-typing as well as applying and disseminating forcefields
https://foyer.mosdef.org
MIT License
117 stars 75 forks source link

Contradictory info about supported versions of Python #564

Closed iGulitch closed 2 months ago

iGulitch commented 3 months ago

In Supported Python Versions, it's written that only Python v. 3.6 and 3.7 are officially supported and that there are no guarantees for versions <=3.5 / >= 3.8. Simultaneously, in Installation the environmental file environment.yml has the dependency python>=3.8.

Would you clarify, please?

daico007 commented 3 months ago

Hi @iGulitch, thank you for catching that! Foyer is supporting Python 3.8-3.11. We will update the docs page to reflect that.

iGulitch commented 3 months ago

Hi @daico007 and thanks for your quick reply! What about Python v. 3.12.3? I got this one when install Foyer just now.

daico007 commented 3 months ago

Python 3.12 could be fine for foyer, but not some of its dependencies (mBuild/mdtraj). I would recommend using Python 3.11

iGulitch commented 3 months ago

Clear, thanks! Then, from my side, I'd suggest you to double check the environment yml files, since a fresh installation via git clone with given environment.yml gives the latest available Python version that is 3.12.2 now. Besides, the one for Windows has the dependency python <=3.8 unlike all other yml files, where it's python >=3.8 instead.