Updates for pint >=0.21 (#562)

* MAINT: Pint updates * MAINT: Add CodeCov token
openforcefield · Aug 9, 2024 · c8c476a · c8c476a
1 parent 80d4670
commit c8c476a
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Showing 4 changed files with 11 additions and 4 deletions.
diff --git 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
@@ -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
@@ -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
@@ -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,
+    }
+)