General updates | JW – Updated roadmap for 2022 Infrastructure Roadmap 2022 – Your major tasks are all around users guides, largely all in progress. JW – Presented on major goals – Three big-picture things in community engagement could be a nice high-level plan. These may be good for plotting out future tasks/effort as you finish up initial tasks. JW – Project planning meeting tomorrow. I’m going to try as reserve your bandwidth for documentation and user support, but I apologize if you end up tasked with infra or science support. JW – Known install issue with M1 macs using conda-forge deps. Some conda distributions identify the M1 architecture as osx-64, but other as osx-arm64 . An M1 mac CAN install either package architexcture, and it will emulate the old osx-64 arch using “rosetta”. BUT a lot of our deps (at least mdtraj and ambertools, probably more) don’t have osx-arm64 packages and fail with confusing/blank errors.
https://openforcefieldgroup.slack.com/archives/C0VJQELCA/p1636506266024700?thread_ts=1636499349.010800&cid=C0VJQELCATo diagnose, run conda_info and see whether channel URLs are looking for osx-arm64 - If so, recommend the person download anaconda instead? (or find a way to change the virtual pacakge config to point to osx-64 architecture) JM – Looks like you can change the channel | Github link macro |
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| link | https://github.com/conda-forge/miniforge/issues/165#issuecomment-860233092 |
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JM – I spent a good amount of time this week contributing upstream. Fixed our issue, which was first identified in 2015(!). JW – I’m glad we’re contributing upstream – This is a great use of your OpenFF time! JM – I have some ideas for more that we can push up, including stuff from the bespokefit API templates.
JM – Working on setting up docs for bespokefit. It’s kinda nice starting from 0, since I have a lot of lattitude to organize it as I see fit. JW – Feel free to reach out to SB and JH to ask for a skeleton. JM – Kinda tricky to ask for a skeleton, working on how to lead a discussion into getting what I need.
JW – Bespokefit install instructions are kinda bespoke themselves. It may be good to start having an “authoritative” version of the install instructions while documenting bespokefit.
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