NAGL CI Error

Problem

This test (test_nagl_charge_assignment_matches_reference) fails in CI but not locally when I (Jeff) set up the env (in what I think is) the same way as the CI machineclone openff-interchange (or pull if you already have a cloned version)

cd openff-interchange
git checkout naglcharges-handler
git pull
micromamba env create -n temp -f devtools/conda-envs/test_env.yaml python=3.11
micromamba activate temp
python -m pip install -e . plugins/
pytest openff/interchange/_tests/unit_tests/smirnoff/test_nonbonded.py -k test_nagl_charge_assignment_matches_reference

test passes locally

Note that test_env.yaml pip installs openff-toolkit and openff-nagl-models from branches, and changes from those branches are needed for proper operation

Problem Source

The real issue is highlighted in red on the “Jen’s 1st Local Attempt” page:

ToolkitWrapper around OpenFF NAGL version 0.5.2 <class 'FileNotFoundError'> : Could not find asset with name 'openff-gnn-am1bcc-0.1.0-rc.3.pt' in any release

This is the same issue shown with CI.

When Jen runs ls ~/Library/Caches/OPENFF_NAGL_MODELS she does not get an output, while Jeff does, indicating that his local tests pass because he had this file cached locally allowing his tests to pass. Once he deletes the contents of this directory, the tests Fail for him as well.