2024-10-23 Thompson/Wagner Check-in meeting notes

Participants

  • @Matt Thompson

  • @Jeffrey Wagner

Discussion topics

Item

Notes

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Notes

 

  • MT –

    • CAdams had a PR to recharge that passed without OE and failed when OE. There’s a chance he’ll need an OE license to debug.

      • JW – I’d be fine with giving him permissions to make a branch so he has access to the OE license in our CI config.

      • MT – Good call, I’ll do that (or contact you if I can’t grant him permissions)

    • Tutorials - Mostly done (did OpenMM, gromacs, and lammps, not amber). Mostly failures, except some OpenMM ones. Not sure how high priority the features to enable support for these are. So I expect I’ll finish this up (via testing amber) either later this week or early next. Once that’s ready I’ll kick up to you to decide how to loop in stakeholders.

      • JW – Great. In a perfect world it’d be neat to estimate how much work would be required for each one and offer a menu to project leadership.

      • MT – That would be quite difficult to estimate.

      • JW – Could also be useful to present “here’s low hanging fruit”, eg “we could have imported the files from this tutorial if we had this low/moderate effort feature”

      • MT – I didn’t intend to make that sort of representation before about anything that I’d tested - I really have no good estimate for basically any of these.

      • JW – Ok, it’ll be handy for folks to have a map of what’s possible/supported, and the likely next question they’ll ask is “how much would it cost to turn moreof this map green?” - So we’ll want to decide on whether the answer is “unknown everywhere” or “really hard in most places, and merely quite hard in others”

    • Tasks - The past few days I’ve been working on really difficult stuff without small/medium tasks to break things up. I’d like smaller things to do if you know of any.

      • Also, I don’t know what the timeline/progress bar looks like on the NAGL release, but I see LW working on some smaller/more routine stuff. If there’s a possibility I could help there that might be good.

      • JW – Maybe updating all our CI to macos-13?

        • MT – That could work.

        • JW – Thanks, feel free to do these and merge without review if everything is straightforward.

      • MT – Related to ambertools-adjacent issues, how long do we want to continue supporting intel macs?

      • JW – Does numpy has a policy that we can copy?

      • MT – Unlikely, conda-forge has some platform deprecation policies but they’re extremely generous so unlikely to be useful for this question.

      • JW – Really a question of how much we spend supporting our upstreams to keep them compatible with intel macs. I’ll ask lead team about this.

  • JW –

    • Looking forward to agile stakeholder meeting friday. Working on collecting a list of backlog tasks but nothing particularly Matt-specific has popped up.

    • I told JM to spend up to a quarter of his time on iterating on PRs with you, so feel free to coordinate with him directly

    • Expect a bespokefit release soon, BW found a bug/newly emerged interaction with QCF that causes issues.

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Trello

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

Action items

Decisions