Update dependencies (#51)

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/pre-commit/pre-commit-hooks: v4.6.0 → v5.0.0](pre-commit/pre-commit-hooks@v4.6.0...v5.0.0)
- [github.com/psf/black: 24.8.0 → 24.10.0](psf/black@24.8.0...24.10.0)
- [github.com/asottile/pyupgrade: v3.17.0 → v3.19.1](asottile/pyupgrade@v3.17.0...v3.19.1)

* Update dependencies

* Use `openff-units =0.2`

* Fix

* Fix

---------

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

Author: mattwthompson

.github/workflows/ci.yaml

@@ -14,14 +14,13 @@ defaults:
 
 jobs:
   test:
-    name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}, OpenMM ${{ matrix.openmm }}, Pydantic ${{ matrix.pydantic-version }}
+    name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}, OpenMM ${{ matrix.openmm }}
     runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
       matrix:
-        os: [macOS-latest, ubuntu-latest]
+        os: [macos-latest, ubuntu-latest]
         python-version: ["3.10", "3.11", "3.12"]
-        pydantic-version: ["1", "2"]
         openmm: [true, false]
 
     steps:
@@ -33,21 +32,20 @@ jobs:
         environment-file: devtools/conda-envs/test_env.yaml
         create-args: >-
           python=${{ matrix.python-version }}
-          pydantic=${{ matrix.pydantic-version }}
 
     - name: Optionally install OpenMM
       if: ${{ matrix.openmm == true }}
-      run: micromamba install openmm -c conda-forge --yes
+      run: micromamba install "openmm =8.1" -c conda-forge --yes
 
     - name: Install package
       run: python -m pip install -e .
 
     - name: Run mypy
-      if: ${{ matrix.python-version == 3.10 && matrix.pydantic-version == 2}}
+      if: ${{ matrix.python-version == 3.10 }}
       run: mypy -p "openff.models"
 
     - name: Run tests
-      run: pytest -v -Werror --cov=openff/models --cov-report=xml --color=yes openff/models/
+      run: python -m pytest -v -Werror --cov=openff/models --cov-report=xml --color=yes openff/models/
 
     - name: CodeCov
       uses: codecov/codecov-action@v4

.pre-commit-config.yaml

@@ -2,14 +2,14 @@ ci:
   autoupdate_schedule: "monthly"
 repos:
 - repo: https://github.com/pre-commit/pre-commit-hooks
-  rev: v4.6.0
+  rev: v5.0.0
   hooks:
   - id: check-yaml
   - id: end-of-file-fixer
   - id: trailing-whitespace
   - id: debug-statements
 - repo: https://github.com/psf/black
-  rev: 24.8.0
+  rev: 24.10.0
   hooks:
   - id: black
     files: ^openff
@@ -34,7 +34,7 @@ repos:
   hooks:
   - id: yesqa
 - repo: https://github.com/asottile/pyupgrade
-  rev: v3.17.0
+  rev: v3.19.1
   hooks:
   - id: pyupgrade
     files: ^openff

devtools/conda-envs/test_env.yaml

@@ -4,8 +4,8 @@ channels:
 dependencies:
   - python
   - pip
-  - pydantic
-  - openff-units
+  - pydantic =2
+  - openff-units =0.2
   - openff-utilities
   - pytest
   - pytest-cov