2024-01-24 Mitchell/Wagner Check-in meeting notes

General updates

• JW –

  • Expect OFFTK 0.15.0 soon, with new QCF compatibility. MT and I will be updating the rest of the ecosystem with QCF and pydantic updates in the days/weeks ahead. There will need to be a new bespokefit release made for new QC compatibility.

  • openff-forcefields-2024.01.0 release with openff-2.1.1.offxml (same as before, but with Xenon params requested by OE)

  • Pls get basic code paths running so there is time for an Interchange release if needed

•  

• JM -

  • Workshop landing pages PR:

  • Rendered: https://openff-docs--32.org.readthedocs.build/en/32/workshops/2024/

  • Zoom links for workshops: https://openforcefield.atlassian.net/wiki/spaces/MEET/pages/2416738316 (also in Google Calendar)

Trello

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

Workshop prep

https://openforcefield.atlassian.net/wiki/spaces/COMMS/pages/2719055920

To dos

1. (high) Have draft notebooks for all 3 workshops that at least run

2. (high) Announce workshops on #general using @here

3. (high) Create Zoom meetings, draft channel announcements, make landing pages for workshops (like this but on GitHub, explaining that Zoom links will be posted shortly before each meeting).

4. (medium) Fix openff-docs CI/figure out what’s up with deployments

5. (medium) Fix openff-docs env cache issue

6. (low) Reach out to science team for additional vignette ideas

7. (low) Propagate PDB-bond loading options into nglview