(WIP) Fix CI (#1908)

* possibly fix CI

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* unpin OE versions

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

devtools/conda-envs/conda_oe.yaml

@@ -6,7 +6,7 @@ dependencies:
     # Base depends
   - openff-toolkit-examples
     # Tests
-  - openeye-toolkits =2024.1.0
+  - openeye-toolkits
   - pytest=7.4
   - pytest-rerunfailures
   - nbval

devtools/conda-envs/openeye-examples.yaml

@@ -25,7 +25,7 @@ dependencies:
   - typing_extensions
   - nglview
     # Toolkit-specific
-  - openeye-toolkits =2024.1.0
+  - openeye-toolkits
     # Test-only/optional/dev/typing/examples
   - pytest
   - pytest-xdist

devtools/conda-envs/openeye.yaml

@@ -24,7 +24,7 @@ dependencies:
   - openff-nagl-models ==0.1.0
   - typing_extensions
     # Toolkit-specific
-  - openeye-toolkits =2024.1.0
+  - openeye-toolkits
     # Test-only/optional/dev/typing
   - pytest
   - pytest-cov

devtools/conda-envs/test_env.yaml

@@ -26,7 +26,7 @@ dependencies:
   - ambertools >=22
     # https://github.com/rdkit/rdkit/issues/7221
   - rdkit <2023.09.6
-  - openeye-toolkits =2024.1.0
+  - openeye-toolkits
     # Test-only/optional/dev/typing
   - pytest
   - pytest-cov