diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index 331600ad..090612b4 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -117,6 +117,7 @@ jobs: - name: Code coverage uses: codecov/codecov-action@v4 with: + token: ${{ secrets.CODECOV_TOKEN }} file: ./coverage.xml flags: unittests name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index bc60bf01..61ce9cc1 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -16,7 +16,7 @@ dependencies: - foyer # Shim - - pint =0.20.1 + - pint >=0.21,<0.25 # Standard dependencies - openff-toolkit >=0.14.3 diff --git a/openff/evaluator/forcefield/gradients.py b/openff/evaluator/forcefield/gradients.py index 9d935619..4f07fad6 100644 --- a/openff/evaluator/forcefield/gradients.py +++ b/openff/evaluator/forcefield/gradients.py @@ -160,4 +160,6 @@ def __eq__(self, other): ) -pint.compat.upcast_types.append(ParameterGradient) +pint.compat.upcast_type_map[ + "openff.evaluator.forcefield.gradients.ParameterGradient" +] = ParameterGradient diff --git a/openff/evaluator/utils/observables.py b/openff/evaluator/utils/observables.py index be1de401..3e228a82 100644 --- a/openff/evaluator/utils/observables.py +++ b/openff/evaluator/utils/observables.py @@ -872,5 +872,9 @@ def bootstrap( ) -pint.compat.upcast_types.append(Observable) -pint.compat.upcast_types.append(ObservableArray) +pint.compat.upcast_type_map.update( + { + "openff.evaluator.utils.observables.Observable": Observable, + "openff.evaluator.utils.observables.ObservableArray": ObservableArray, + } +)