2022-12-07 Thompson/Wagner Check-in meeting notes

Participants

  • @Matt Thompson

  • @Jeffrey Wagner

Discussion topics

Item

Notes

Item

Notes

General updates

  • JW – Proofread?

    • Hi John, we noticed that YANK has fallen a bit out of date (CI is broken, it’s only compatible with PyMBAR 3, it’s doesn’t run with python 3.10). This is a direct upstream of our FF fitting pipeline and so it’s becoming a significant rock in our shoe - could your lab work on resolving these issues?

  • MT – OMM doesn’t work on 3.10

    • JW – That should be an ask for Eastman

    • MT – It seems to work for Eastman on his local machines using his own builds. It’s just conda-forge. So the responsibility/actions for this will ultimately bubble up to conda-forge.

  • JW – I’ll be offline the next 3 fridays

  • JW – Survey review - Anything big missing?

Trello update

 

PR/Issue clearance

 

 

 

Action items

Decisions

Â