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biotite-dev / fastpdb

A high performance drop-in replacement for Biotite's PDBFile.
BSD 3-Clause "New" or "Revised" License
27 stars 2 forks source link

Request for Conda Installation Support for fastpdb #15

Open zhu0619 opened 1 month ago

zhu0619 commented 1 month ago

Thank you for developing fastpdb. It's a fantastic tool!

Would it be possible to add conda installation support? Many users, including myself, rely on conda for managing environments, and it would make fastpdb more accessible.

I’m happy to assist or test if needed.

padix-key commented 1 month ago

Good idea, especially since all other packages from biotite-dev are also on Conda. I created a PR: https://github.com/conda-forge/staged-recipes/pull/27246

padix-key commented 1 month ago

Currently the build fails due to a hickup with the NumPy version. Probably the easiest way to solve this is to wait until Biotite 1.0 is released in the upcoming weeks.

zhu0619 commented 1 month ago

Thank you for addressing this so quickly. Looking forward to the new release.

cwognum commented 2 weeks ago

Hi @padix-key, now that https://github.com/biotite-dev/biotite/pull/635 is merged and v1 is released, are there any other blockers for this issue?

padix-key commented 2 weeks ago

Previously this was blocked by issues to build Biotite 1.0 on Conda. With Biotite 1.0.1 this is resolved. I already added a Conda recipe for fastpdb to staged-recipes (https://github.com/conda-forge/staged-recipes/pull/27246).