Fix CI

.github/workflows/ci.yaml

@@ -30,9 +30,9 @@ jobs:
         os: ['ubuntu-latest']
         pydantic-version: [">1"]
         python-version:
-          - "3.9"
           - "3.10"
           - "3.11"  
+          - "3.12"
         include:
             # Note: pinned to macos-12
             # see https://github.com/OpenFreeEnergy/openfe/issues/842
@@ -54,6 +54,7 @@ jobs:
       - name: "Setup Micromamba"
         uses: mamba-org/setup-micromamba@v1
         with:
+          micromamba-binary-path: ~/.local/bin/micromamba
           environment-file: environment.yml
           environment-name: gufe
           cache-environment: true

.github/workflows/mypy.yaml

@@ -29,7 +29,8 @@ jobs:
           cache-environment: true
           cache-downloads: true
           create-args: >-
-            python=3.9
+            python=3.10
+            rdkit=2023.09.5
           init-shell: bash
 
       - name: "Install steps"

docs/environment.yaml

@@ -9,4 +9,4 @@ dependencies:
 - sphinx
 - openmm
 - pip:
-  - git+https://github.com/OpenFreeEnergy/ofe-sphinx-theme@main
+  - git+https://github.com/OpenFreeEnergy/ofe-sphinx-theme@a45f3edd5bc3e973c1a01b577c71efa1b62a65d6

gufe/tests/test_ligandatommapping.py

@@ -275,7 +275,7 @@ def test_too_small_B(self, molA, molB):
 class TestLigandAtomMapping(GufeTokenizableTestsMixin):
     cls = LigandAtomMapping
     repr = "LigandAtomMapping(componentA=SmallMoleculeComponent(name=), componentB=SmallMoleculeComponent(name=), componentA_to_componentB={0: 0, 1: 1}, annotations={'foo': 'bar'})"
-    key = "LigandAtomMapping-c333723fbbee702c641cb9dca9beae49"
+    key = "LigandAtomMapping-2c0aae226e3f69d2d1cf429abaefdb5b"
 
     @pytest.fixture
     def instance(self, annotated_simple_mapping):
@@ -289,4 +289,4 @@ def test_id_key(self, instance):
     def test_keyed_dict(self, instance):
         i2 = self.cls.from_dict(instance.to_dict())
 
-        assert instance.to_keyed_dict() == i2.to_keyed_dict()
+        assert instance.to_keyed_dict() == i2.to_keyed_dict()

gufe/tests/test_smallmoleculecomponent.py

@@ -72,7 +72,7 @@ def test_ensure_ofe_name(internal, rdkit_name, name, expected, recwarn):
 class TestSmallMoleculeComponent(GufeTokenizableTestsMixin):
 
     cls = SmallMoleculeComponent
-    key = "SmallMoleculeComponent-51068a89f4793e688ee26135a9b7fbb6"
+    key = "SmallMoleculeComponent-82d90fcdcbe76a4155b0ea42b9080ff2"
     repr = "SmallMoleculeComponent(name=ethane)"
 
     @pytest.fixture