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Provide basic support for older pymatgen versions in adapters #1490

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ml-evs opened this issue Jan 30, 2023 · 1 comment
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Provide basic support for older pymatgen versions in adapters #1490

ml-evs opened this issue Jan 30, 2023 · 1 comment
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ergonomics Features that improve the usability of the package

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@ml-evs
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ml-evs commented Jan 30, 2023

See pedrobcst/Xerus#46

If someone has installed pymatgen + optimade-python-tools through means other than optimade[pymatgen], they can end up with silently conflicting versions of the two.

The only place this crops up is in the adapter code. We could add a pymatgen version guard to this code, and potentially even support the old Structure invocation (i.e., not passing dimension_types to the constructor) quite easily, even if we probably cannot test it ourselves. The only other issue is that these old pymatgen versions probably have other conflicting requirements with our dependencies, so if we added this "fix" to the next release, it might still be impossible for people to install the two together (will check this).

@ml-evs ml-evs changed the title Provide basic support for older pymatgen versions Provide basic support for older pymatgen versions in adapters Jan 30, 2023
@ml-evs ml-evs added the ergonomics Features that improve the usability of the package label Jan 30, 2023
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ml-evs commented Jan 30, 2023

Closing this for now as the issue resolved itself in Xerus.

@ml-evs ml-evs closed this as not planned Won't fix, can't repro, duplicate, stale Jan 30, 2023
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