2022-03-16 Mitchell/Wagner Check-in meeting notes

Participants

  • @Jeffrey Wagner

  • @Josh Mitchell

Discussion topics

General updates

  • JW – We have an AWS billing account now, I don’t expect you’ll need it but let me know if that changes

    • JM – Only for compute? Or also hosting?

    • JW – Our current plan is just using it for unforseen compute emergencies. But in a few months we’ll have ongoing operational costs for storage of F@H outputs.

  • JW – Some org-wide way to answer "Can I do X?" "What software does it?" "When will it be ready for use?"

  • JM – I’m thinking about trying a new doc rendering method - mdbook. I may do some of my next PRs in it.

    • JW – That sounds cool. Please let me know that it’s somewhat mainstream (like, it’s used in other big packages) or that there’s an easy fallback if it breaks.

Todos

  1. (high) QCSubmit users guide (in progress)

  2. (high) Bespokefit theory docs

  3. (high) Interchange pre-release prep

  4. (medium) Toolkit docs cleanup

  5. (medium) Toolkit revised user guide (+-unifying/centralizing package user guides)

  6. (medium) Come up with “milestones” for making first of three videos this year (like, “first video on covid spike protein and small molecule, filmed this day, edited in that range, etc…”)

  7. (low) “How to cite” section on website

  8. (low) Propose policy for using GH citation machinery

  9. (low) Check main website for broken links

  10. (low) migrate docs to be under http://openforcefield.org domain (openforcefield/status would be base project repo)

  11. (low) Conda env yamls for each release (automated inside of Toolkit’s single-file-installer action)

 

Action items





Action items

Decisions