2024-10-21 Mitchell/Wagner Check-in meeting notes

General updates

• JW

  • MT said that he’s really appreciated your feedback on PRs and would like to keep you looped in. I basically said that he can contact you directly to request reviews and you should aim to spend up to 25% of your time on engaging with him for PR reviews and such.

    • JM – Ok

  • CHARMM-GUI stuff - MT mentioned that you were doing some testing in this direction. Do feel free to test this out and report issues, though know that we have big roadmap goals other than this, so functionality that can’t be easily added will not be a high priority.

    • JM – Absolutely. I did this under the “test importers/exporters” Trello items

  • JW – Could you start doing check ins again?

    • JM – Yes, I’ll give that a shot.

• JM

  • NRP stuff review

    • Started https://gitlab.nrp-nautilus.io/josh.mitchell/pdb-census

    • NRP recommends using their gitlab for easier fetching and container storage.

    • Using a queue/worker setup.

    • JW – It actually so happens that LW is working on doing evaluator on NRP, could you reach out to her and see if you can help each other debug?

      • JM – Yeah, will do.

    • JW – And to ensure that this doesn’t become a rabbit hole, let’s say that, if you aren’t able to get single jobs running on NRP by next Monday Oct 28, then let’s just plan to run locally. Then we can come back to NRP/scaling later.

      • JM – Sounds good.

  • JW – I’m glad you’re actually reading the NRP docs. Feel free to contribute to NRP docs, too, up to a few hours a week.

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Trello

https://trello.com/b/dzvFZnv4/infrastructure