leojklarner / gauche

A Library for Gaussian Processes in Chemistry
https://leojklarner.github.io/gauche/
MIT License
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Refactor setup to support modular requirements lists #42 #46

Closed a-r-j closed 1 year ago

a-r-j commented 1 year ago

Reference Issues/PRs

42

What does this implement/fix? Explain your changes

Refactors dependencies into blocks that can be switched out.

Adds option for install commands like:

pip install gauche[cpu]
pip install gauche[cu116]
pip install gauche[117]
pip install gauche[dev]

What testing did you do to verify the changes in this PR?

No testing. Please verify before merging.

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