Update dependencies: ase, pandas as main; decouple pmg#93
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ml-evs
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Feb 17, 2026
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As briefly discussed earlier, I
aseandpandasas main dependencies.This allows one to run the CLI, main functionality, and most examples after just doing
pip install optimade-maker. Before, these things didn't really work for the base install.pymatgenfrom the other parsersAs
pymatgencould potentially be less stable thanase, I kept that as an optional dependency. But this required to adapt a bit the imports and setup ofpymatgenparsers/converters.