⚠️ Please install the to ensure uploads and comments are reliably processed by Codecov.

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 69.57%. Comparing base (ecb5ccd) to head (cc82004).

❗ Your organization needs to install the Codecov GitHub app to enable full functionality.

@@           Coverage Diff           @@
##             main     #361   +/-   ##
=======================================
  Coverage   69.57%   69.57%           
=======================================
  Files           5        5           
  Lines         825      825           
=======================================
  Hits          574      574           
  Misses        251      251           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

Everything passed except the macos-12 runners, which are depreciated. macos-13 and macos-14 (aka macos-latest) are the only supported ones (macos-15 is in beta). See https://github.com/actions/runner-images

Okay, now going to try pinning to the older build to see if that fixes macos-13

okay cool, looks like no regressions with ambertools 24 at least -- same issue on intel macs but that is okay. we should add openmm 8.2 to the testing matrix to double check and then I think we can update the feedstock to work with ambertools 24

Ignore the missing "Required" checks -- they are old mac versions and openmm versions that we don't need to test anymore IMHO

@epretti
Does this look okay? We now test against the latest ambertools + the last two versions of openmm + the latest osx (arm64) and linux

Great, thanks for getting this working!

And if I am understanding correctly, this means that there is now a working package for AmberTools 24 that is compatible with openmmforcefields, so we shouldn't need to drop AmberTools as a dependency anymore (at least for the time being)? If so, I can close conda-forge/openmmforcefields-feedstock#19.

@epretti Yes! -- I am wating to merge in conda-forge/openmmforcefields-feedstock#20 until we can get a env with python 3.13 and ambertools24 + openff-toolkit -- right now it isn't working since there is a libboost/pydantic/openff-toolkit log jam BUT for python version 3.10, 3.11, and 3.12 -- everything is working!

@mattwthompson Thoughts on merging this in and then dropping the required macos-12 checks and adding the new ones as required?

+1 on dropping macos-12
+1 on dropping AmberTools 23 if version 24 is the only one we trust