Import vendored openff.models from gufe

[mikemhenry]

Checklist

• Added a news entry

Developers certificate of origin

• I certify that this contribution is covered by the MIT License here and the Developer Certificate of Origin at https://developercertificate.org/.

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 92.63%. Comparing base (9533f95) to head (a7b5007).
⚠️ Report is 253 commits behind head on main.

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1260      +/-   ##
==========================================
- Coverage   94.66%   92.63%   -2.03%     
==========================================
  Files         143      143              
  Lines       10957    10957              
==========================================
- Hits        10372    10150     -222     
- Misses        585      807     +222     

Flag	Coverage Δ
fast-tests	92.63% <100.00%> (?)
slow-tests	?

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[mikemhenry]

This is needed to support numpy2/newer python versions since openff.models is no longer maintained and the pins on the conda-forge package will keep our ecosystem back.

[mikemhenry]

I also just bump the python version to sync with google colab

[atravitz]

looks good! could you add a news item, if this is technically the commit that makes us numpy 2 compatible?

[mikemhenry]

looks good! could you add a news item, if this is technically the commit that makes us numpy 2 compatible?

Eh, like our code has been numpy 2 compatible since the day it was written so I am always a bit weary about saying that is what this actually does... I think it is worth mentioning in a news bit that we now import a vendored copy of openff.models from gufe, it is on the edge of being kinda internal but I could see someone going down a rabbit hole on how they installed openff-models but things are being weird, so the change log would be a good hint for that

[IAlibay]

looks good! could you add a news item, if this is technically the commit that makes us numpy 2 compatible?

I think it is worth mentioning in a news bit that we now import a vendored copy of openff.models from gufe

I somewhat disagree, we shouldn't have a news item for this, or at least right now I don't see the value it brings to users.

I do however agree with Alyssa that we should just put a news item that says "makes toolkit compatible with numpy 2.0". The news items aren't meant to be pure accurate representation of reality but rather a summary of "what am I getting out of this" for users. My compromise here is that you just don't add a PR number and leave it as just an entry in the news.

[mikemhenry]

My compromise here is that you just don't add a PR number and leave it as just an entry in the news.

I can live with that!

[github-actions]

No API break detected ✅