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add support for fairchem #420

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alinelena opened this issue Feb 13, 2025 · 2 comments · May be fixed by #421
Open

add support for fairchem #420

alinelena opened this issue Feb 13, 2025 · 2 comments · May be fixed by #421
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enhancement New/improved feature or request

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@alinelena
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meta has their own model https://github.com/FAIR-Chem/fairchem

@alinelena alinelena self-assigned this Feb 13, 2025
@alinelena alinelena added the enhancement New/improved feature or request label Feb 13, 2025
@ElliottKasoar
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ElliottKasoar commented Feb 14, 2025

If we do want to add specific revisions in a sub-package, I don't know exactly how it'll end up in the pyproject.toml, but you can add it with (replacing main):

uv add git+https://github.com/FAIR-Chem/fairchem#subdirectory=packages/fairchem-core --rev main

@ElliottKasoar
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ElliottKasoar commented Feb 14, 2025

I also wonder if we'll need something like: astral-sh/uv#11153, since it looks like the override is applied globally, and what we actually need is to override fairchem's torch limits specifically.

(For context, fairchem "requires" torch==2.4, which will conflict with chgnet==0.4.0 but it seems to work with 2.5.1)

Ah, we can also manually specify the metadata: https://docs.astral.sh/uv/concepts/resolution/#dependency-metadata

See also: astral-sh/uv#2686

@ElliottKasoar ElliottKasoar linked a pull request Feb 14, 2025 that will close this issue
@ElliottKasoar ElliottKasoar linked a pull request Feb 14, 2025 that will close this issue
@ElliottKasoar ElliottKasoar marked this as a duplicate of #363 Mar 3, 2025
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