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fix: Prevent missing FastPDB on Conda install#282

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jstlaurent merged 2 commits into
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fix/conda-fastpdb-dep
Apr 9, 2025
Merged

fix: Prevent missing FastPDB on Conda install#282
jstlaurent merged 2 commits into
mainfrom
fix/conda-fastpdb-dep

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@jstlaurent

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Changelogs

  • Moved FastPDB from a pip dependency to a conda-forge dependency

Checklist:

  • Was this PR discussed in an issue? It is recommended to first discuss a new feature into a GitHub issue before opening a PR.
  • Add tests to cover the fixed bug(s) or the newly introduced feature(s) (if appropriate).
  • Update the API documentation if a new function is added, or an existing one is deleted.
  • Write concise and explanatory changelogs above.
  • If possible, assign one of the following labels to the PR: feature, fix, chore, documentation or test (or ask a maintainer to do it for you).

Adresses issue #276.

By moving the FastPDB dependency to the conda-forge list, we'll prevent users with certain environment configuration from installing an incomplete Polaris.

@jstlaurent jstlaurent requested a review from cwognum as a code owner April 8, 2025 20:17
@jstlaurent jstlaurent added the fix Annotates any PR that fixes bugs label Apr 8, 2025
@jstlaurent jstlaurent self-assigned this Apr 8, 2025
@jstlaurent jstlaurent force-pushed the fix/conda-fastpdb-dep branch from 6a08708 to ed9be22 Compare April 8, 2025 20:29

@mercuryseries mercuryseries left a comment

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Thanks, @jstlaurent!

@cwognum cwognum left a comment

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Thank you! 🙏

@jstlaurent jstlaurent merged commit b98b741 into main Apr 9, 2025
@jstlaurent jstlaurent deleted the fix/conda-fastpdb-dep branch April 9, 2025 00:14
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3 participants