2021_10_13 Mitchell/Wagner Check in

Participants

  • @Josh Mitchell

  • @Jeffrey Wagner

Discussion topics

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Notes

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Notes

General updates

  • JW – We’re working on roadmap revision (Added interchange users guide and bespokefit+qcsubmit users guides to 2022 roadmap)

  • JM – Been working on interchange guide behind the scenes, didn’t have permission to push changes so they’ve been local so far.

  • JM – Big idea: Could have a single “book” for the whole OpenFF stack. This would benefit from how everyhting we do is meant to be interoperable

    • JW – This is a cool idea, but would lead to trouble if we forgot about things/documentaiton went out of date somewhere where we don’t see it.

    • (General) – We should focus on putting information/documentation/examples of interoperation within our stack into the OpenFF toolkit repo, since that is the most likely to have active maintenance into the future. This shoudl eb for when two packages both rely on the toolkit and also each other. Simpler cases (where a package relies solely on the toolkit) should be contained in that package’s examples.

Refreshing to-dos

  • new (medium) Make it so that googling “smirnoff specification” doesn’t lead to super out-of-date topology branch docs

  • (low) Check main website for broken links

  • (medium) Spec migration PR

  • (low priority) JM will make a checklist for the above “PR from forks” process for openff-toolkit wiki

  • (medium) JM will advertise openff-toolkit-examples package on #internal slack channel

  • (high) Users guides





Action items

Decisions