General updates | JW – Will make OFFTK 0.15.0 release soon. I see lots of PRs involving JM lined up but those can land in 0.15.1. Ecosystem/deployments should be clean as long as I add QCPortal>0.50.0 to OFFTK’s run_constrained. After OFFTK 0.15.0, I’ll switch to updating+bugfixing bespokefit.
MT – Will JM have bandwidth for PR reviews in the coming month? There are some PRs that I need reviewed, if that won’t be coming for a while I need to rearrange my planned workload. MT – What are OpenFF’s infrastructure goals for 2024? JW – We aim to finish the May 2023-2024 roadmap goals, and we’ll be making the 2024-2025 goals in the coming months. MT – This isn’t an answer on the level that I was looking for. Is roadmap a concrete commitment? JW – Looking at this, the remaining things for interchange are vanilla importers for AMBER/CHARMM/GROMACS. Evaluator goal of replacing YANK with Perses seems impossible now, instead we’ll use an OpenFE protocol that they’ll provide. JW – I probably should have been bringing this up quarterly for review. MT – This answer isn’t particularly satisfying. If I look at the things that I’ve been externally committed to do by other people, I think I’ve done them. The remainder of things are either too squishy to progress or things where I’m waiting on others to deliver things to me or people aren’t sticking to commitments as I understand them. So I’d like to have a list of expectations like “if I do X, Y, and Z, then I’m doing a good job”, “if I only do X, that’s not enough”. … JW – Could start tracking multi-week user stories that can be targeted MT – This is approaching what I want, would prefer user stories to be sought and delivered by lead team/management. Should talk to users and determine what they want. And a lot of stuff will be filtered out. JW – Will do, I’ll start collecting these tasks this week and will loop in lead team to identify discrete developments that will be valuable for the org to bring to future check in for filtering. I’ll come with a list of these next Wednesday
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