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materialsproject / atomate2

atomate2 is a library of computational materials science workflows
https://materialsproject.github.io/atomate2/
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Feature Request: Remove pin to `emmet-core==0.82.2` #960

Closed Andrew-S-Rosen closed 1 month ago

Andrew-S-Rosen commented 2 months ago

In pyproject.toml, atomate2 is bound to emmet-core==0.82.2, which is quite a bit limiting.

https://github.com/materialsproject/atomate2/blob/1ebc9a77a531362ebfbb8adbd874f9c29bfa520b/pyproject.toml#L31