Test against Pint 0.24.4

.github/workflows/CI.yml

@@ -85,6 +85,10 @@ jobs:
           OE_LICENSE_TEXT: ${{ secrets.OE_LICENSE }}
         run: echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE}
 
+      - name: Install Pint 0.24.4 and `openff-units` branch
+        run: |
+          pip install "pint==0.24.4" git+https://github.com/openforcefield/[email protected]
+
       - name: Install package
         run: |
           # While Interchange is being installed with pip, there is no need to

.github/workflows/examples.yml

@@ -78,6 +78,10 @@ jobs:
         run: |
           echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE}
 
+      - name: Install Pint 0.24.4 and `openff-units` branch
+        run: |
+          pip install "pint==0.24.4" git+https://github.com/openforcefield/[email protected]
+
       - name: Install package
         run: |
           # Maybe remove the packaged openff-toolkit, installed as a dependency of openmmforcefields

devtools/conda-envs/openeye-examples.yaml

@@ -42,3 +42,5 @@ dependencies:
   - pdbfixer
   - openmmforcefields >=0.11.2
   - gromacs >=2023.3
+  # shim
+  - libabseil=20240722.0=*_1

devtools/conda-envs/openeye.yaml

@@ -51,3 +51,5 @@ dependencies:
     - types-xmltodict
     - types-cachetools
     - mongo-types
+  # shim
+  - libabseil=20240722.0=*_1

devtools/conda-envs/rdkit-examples.yaml

@@ -45,3 +45,5 @@ dependencies:
   - pdbfixer
   - openmmforcefields >=0.11.2
   - gromacs >=2023.3
+  # shim
+  - libabseil=20240722.0=*_1

devtools/conda-envs/rdkit.yaml

@@ -40,3 +40,5 @@ dependencies:
   - qcportal >=0.50
   - qcengine
   - nglview
+  # shim
+  - libabseil=20240722.0=*_1

devtools/conda-envs/test_env.yaml

@@ -60,3 +60,5 @@ dependencies:
     - types-xmltodict
     - types-cachetools
     - mongo-types
+  # shim
+  - libabseil=20240722.0=*_1

openff/toolkit/utils/openeye_wrapper.py

@@ -23,15 +23,10 @@
 
 import numpy as np
 from cachetools import LRUCache, cached
+from openff.units.elements import SYMBOLS
 from typing_extensions import TypeAlias
 
 from openff.toolkit import Quantity, unit
-
-if TYPE_CHECKING:
-    from openff.toolkit.topology.molecule import Atom, Bond, FrozenMolecule, Molecule
-
-from openff.units.elements import SYMBOLS
-
 from openff.toolkit.utils.base_wrapper import (
     ToolkitWrapper,
     _ChargeSettings,
@@ -64,6 +59,13 @@
 )
 from openff.toolkit.utils.utils import inherit_docstrings
 
+if TYPE_CHECKING:
+    import networkx
+    import openmm.app
+
+    from openff.toolkit.topology.molecule import Atom, Bond, FrozenMolecule, Molecule
+
+
 logger = logging.getLogger(__name__)
 
 
@@ -332,8 +334,8 @@ def _polymer_openmm_topology_to_offmol(
 
     def _polymer_openmm_topology_to_oemol(
         self,
-        omm_top,
-        substructure_library,
+        omm_top: "openmm.app.Topology",
+        substructure_library: dict[str, dict],
     ):
         """
         Parameters
@@ -840,7 +842,7 @@ def _read_oemolistream_molecules(
 
         return mols
 
-    def _smarts_to_networkx(self, substructure_smarts):
+    def _smarts_to_networkx(self, substructure_smarts: str) -> "networkx.Graph":
         import networkx as nx
         from openeye import oechem