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see which dlg + openff toolkit versions work with espaloma_charge #39

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mikemhenry
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If this works then we can adjust the pin our our conda-forge package, which would allow users with osx-arm64 to install espaloma_charge from conda-forge

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It looks like osx is just tricky with the different python, pytorch, and dgl builds that exist.

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but at least on linux 1.1.3 works, so I think we can bump that on the conda-forge build safely

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Now I am going to test pulling in the newest openff-toolkit works okay

@mikemhenry mikemhenry changed the title see if dgl version 1.1.3 works with espaloma_charge see which dlg + openff toolkit versions work with espaloma_charge Apr 29, 2024
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looks like openff-toolkit 0.16 works!

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shame it looks like we are missing a pytorch build (and friends) for 0.8 to work on osx-arm64

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okay now lets see if dgl 2.x will work

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