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Fix chai dependencies#42

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hlasimpk merged 6 commits intomainfrom
fix_chai_dependencies
Aug 19, 2025
Merged

Fix chai dependencies#42
hlasimpk merged 6 commits intomainfrom
fix_chai_dependencies

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@hllelli2
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Fixed the chai extra dependencies.
Changes:

  • Better error handling checking if Boltz or Chai aren't installed yet
  • Added extra dependencies for Chai so that it can run using the --no-deps flag to better incoriprate it with Boltz dependencies
  • Added a few extra dependencies with boltz
    • NOTE: Adam, could you install a fresh new micromamba env and have a full abc run.

@hllelli2 hllelli2 requested a review from hlasimpk August 13, 2025 09:37
@hllelli2 hllelli2 self-assigned this Aug 13, 2025
"install",
f"boltz=={BOLTZ_VERSION}",
"cuequivariance_torch",
"cuequivariance_ops_torch-cu12",
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These deps here are confusing me the most. I've never had an issue before. I think we need cuda12 anyway for this to run so probably not an issue

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Looks good! I've downloaded this in a new environment and given it a test and everything installed correctly so I think this is problem solved.

@hlasimpk hlasimpk merged commit d351362 into main Aug 19, 2025
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2 participants