2024-06-12 Thompson/Wagner Check-in meeting notes

Participants

  • @Matt Thompson

  • @Jeffrey Wagner

Discussion topics

Item

Notes

Item

Notes

General updates

  • MT –

    • Plugins/toolkit/interchange issue - something is getting stringified improperly - My investigation so far is summarized here

      • JW – Let’s work on this at the end of this meeting if time permits.

    • MT – When scheduling meetings outside OpenFF, I have to use OMSF email to see other people’s availability. I was going to talk to JE/ZB about this but wondered if you know a workaround.

      • JW – I’m unaware of a workaround and am 50% confident that such a thing exists. So please do ask JE/ZB.

  • JW –

    • OFFTK 0.16.1 coming today if possible

    • Update on FB+vsites?

      • MT – Still blocked at this PR by testing requirements.

      • JW – Let me see if there’s another team member that could step in here, I’ll ask at lead team meeting.

    • Any more news from MolSSI? Lead team is open to treating MolSSI/MDTraj workshop as a conference but we want to make sure that you/significant OpenFF resources don’t end up organizing this, or making it look like OpenFF is taking responsibility for ongoing MDT ownership.

      • MT – More emails from JNash/Sukrit(JChodera orbit/involved in F@H)/Jeremy(WESTPA/lilian chong grad student, on molssi fellowship, possibly physically in blacksburg) on this - my understanding is updated. They’re looking at doing virtual sprints, total duration is a few months, 5-10 people involved, where there’s a meeting every ~2 weeks. I’ve been taking a back seat the past few days since those 3 are moving forward. Would be specifically on MDTraj development. One 30-60 minute meeting every 2 weeks for a while would be fine by me.

      • JW – Would you be the only MDT maintainer involved/would you be reviewing all the PRs?

      • MT – MDT main maintainer stepped down a while ago. Now maintainer group is me/Sukrit/JNash/Jeremy. I wouldn’t be reviewing all the PRs, and I trust these people reasonably not to break everything so I would be comfortable with them reviewing each others'.

      • JW – To bounce this off lead team as an OpenFF activity, do you have a sense for maximum number of FTE-hours/days you’d put into this?

      • MT – Want to keep this under 5 hours per month. They scoped the sprint at 2-3 months. Might go some months over but I wouldn’t see this going into a perpetual project.

      • JW – Great, I’ll bounce this off lead team.

      •  

  •  

Trello

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

Action items

Decisions

Â