OpenFreeEnergy / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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Initial quick support for pydantic 2 (>=1.10.17) #58

Closed ijpulidos closed 3 months ago

ijpulidos commented 3 months ago

Changing the try-error imports and just using pydantic.v1 API point for now. This should be supporting pydantic>=1.10.17 as per the migration guide in https://docs.pydantic.dev/latest/migration/#continue-using-pydantic-v1-features

Solves #14

ijpulidos commented 3 months ago

pydantic 2 seems to be picked up when creating the environment https://github.com/choderalab/feflow/actions/runs/10258575412/job/28381617669?pr=58#step:6:409

This seems to be working fine, ready for review.

mattwthompson commented 3 months ago

You might consider, if you don't mind the larger matrix, testing both v1 and v2 at install time, just to catch when one doesn't work. Right now it looks like either should work at install time

ijpulidos commented 3 months ago

@mattwthompson that's a good suggestion. Thanks!

ijpulidos commented 3 months ago

Should be working correctly: