2024-07-15 Mitchell/Wagner Check-in meeting notes

General updates

• JM –

• JW –

  • Bad 2024.1.1 OpenEye toolkit packages for max osx-64 were released to the main label on friday. They were pulled off a few hours ago. You might have seen some chaos in CI over the weekend as a result but all should be well now.

    • JM – Docs doesn’t use OE, and renders on Linux, so I don’t think I’ve seen failures related to this.

  • Someone on twitter said OpenFF is hard to navigate.

    • JM – Could add a top-level organization README

    • (JW and JM made a README.md for https://github.com/openforcefield/

  • Our notebook tests are failing on QCArchive cells because of Unexpected output fields from running code: {'stderr'} - I feel like I’ve seen this before, do you recall anything?

    • JM – I think this is because one way to run test notebooks is to compare stdout and stderr, and the original and new outputs are different.

    • JW – IIRC, when I’d seen this before it was because it was outputting stderr:''“

    • …

    • JM found way to filter QCPortal warnings, we opened https://github.com/openforcefield/openff-toolkit/pull/1908

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Trello

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