Test on Python 3.10 (#497)

* Remove protocols based on Yank

* Remove more modules with indirect Yank dependence

* Partial revert, skip failing test

Fix

* Lazy load `smirnoff_plugins`

* Remove a use of `Topology.reference_molecules`

* Remove a use of `Topology.reference_molecules`

* Update Python versions

* Do not use `pytest-xdist`

* Do not test on Python 3.11

* Skip incompatible macOS builds

.github/workflows/ci.yaml

@@ -30,6 +30,7 @@ jobs:
           - macOS-latest
         python-version:
           - "3.9"
+          - "3.10"
         pymbar-version:
           - "3.1"
         openmm-version:
@@ -38,6 +39,9 @@ jobs:
         openeye:
           - true
           - false
+        exclude:
+          - python-version: "3.10"
+            openmm-version: "7"
 
     steps:
       - uses: actions/checkout@v3

devtools/conda-envs/test_env.yaml

@@ -10,7 +10,7 @@ dependencies:
     # Testing and development
   - pytest
   - pytest-cov
-  - pytest-xdist
+  - pytest-randomly
   - nbval
   - requests-mock # For testing http requests.
   # smirnoff-plugins =0.0.3

openff/evaluator/tests/test_utils/test_serialization.py

@@ -125,7 +125,7 @@ def __setstate__(self, state):
         self.field2 = state["field2"]
 
 
-class TestClass(TypedBaseModel):
+class SomeTestClass(TypedBaseModel):
     def __init__(self, inputs=None):
         self.inputs = inputs
 
@@ -178,10 +178,10 @@ def test_polymorphic_dictionary():
         "test_Complex": ComplexObject(),
     }
 
-    test_object = TestClass(inputs=test_dictionary)
+    test_object = SomeTestClass(inputs=test_dictionary)
     test_json = test_object.json()
 
-    test_recreated = TestClass.parse_json(test_json)
+    test_recreated = SomeTestClass.parse_json(test_json)
     test_recreated_json = test_recreated.json()
 
     assert test_json == test_recreated_json