2022-11-09 Thompson/Wagner Check-in meeting notes

Participants

  • @Matt Thompson

  • @Jeffrey Wagner

Discussion topics

Item

Notes

Item

Notes

General updates

  • JW – From F@H group/OpenFE - There’s interest for us to move openff-models to OpenFF org, and start a c-f feedstock for this and apply for preliminary approval.

    • MT – Sounds like a good idea to me, your approval would be the only blocker. I haven’t gotten much feedback from them so I wasn’t sure if there was interest.

    • JW – Yup! Definitely approved by me.

    • MT – I’ve made two Trello tickets - One for org migration, other for conda package.

    • JW – Great. And I agree that we should keep it out of our stack for a while, so OpenFE can clean it up/change it and not endanger our stuff.

  • JW – Second set of eyes on OpenMM 8 rc nan issue?

    • MT – Haven’t tried to rerun locally, but nothing about your repro looks blatantly wrong.

New items

  • JW – LTGM replacement thingie - Seems like a good idea, no objections here. Would also be happy to remove LGTM altogether.

    • MT – I don’t like this PR, think we should reject and remove the rest of LGTM

    • JW – Agree

PR/issue clearance

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Action items

Decisions

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