2024-08-07 MT/IA/MH Pydantic v2/OpenFE

• Status

MT

• v2-only branches in models and Interchange packages are sorta “development done”

• These changes will come in versions

  • openff-models 0.2.0

  • openff-interchange 0.4.0

  • (toolkit does not hook into pydantic directly)

• OpenFF tests looking good:

• Upcoming changes in Interchange 0.4.x: https://docs.openforcefield.org/projects/interchange/en/stable/v0.4-changes.html

• All release Interchange builds should be constrained to current models 0.1.x line which is v2/v1 compatible

• Timelines
  

MT

• openff-models 0.2.0 (v2 API only) will come out sometime

  • this should NOT be pulled down in any openff environments - could use support in double-checking that this would be true

• Interchange 0.4.x beta1 will be made at unclear date

• 2+ week of “no critical bugs” before Interchange 0.4.x Rc1 for for 2+ weeks

• 2+ weeks more testing before full Interchange 0.4.0 release