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Remove e3nn version pin #555

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Andrew-S-Rosen opened this issue Aug 17, 2024 · 2 comments
Open

Remove e3nn version pin #555

Andrew-S-Rosen opened this issue Aug 17, 2024 · 2 comments

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@Andrew-S-Rosen
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This is a feature request to ultimately remove the version pin of e3nn==0.4.4 in setup.cfg to allow for more flexible versions (if possible).

@ilyes319
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ilyes319 commented Aug 22, 2024

I tested it, and we seem to support the latest e3nn version. This will not be an easy decision, as it could weaken code interoperability, especially given how poorly TorchScript behaves. In which context is this problematic for you?

@Andrew-S-Rosen
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Andrew-S-Rosen commented Aug 22, 2024

In my personal opinion, interoperability should be dependent on the individual packages being used. So, if mace supports all versions of e3nn but Package B doesn't, then Package B should be the one with a specific restriction on e3nn. But I understand that reality is a bit messier than this.

For me, it is not a huge issue. I package several machine learning workflows in my code quacc, which includes but is not limited to MACE. I allow users to pip install quacc[ml] to install the ML dependencies, but because mace is pinned to a specific version of e3nn, and some other libraries require e3nn>0.4.4 (I unfortunately don't remember which), they couldn't be installed together even though they are potentially compatible.

Edit: It was @zulissimeta who originally reported this to me.

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