[pre-commit.ci] pre-commit autoupdate #57

	name: ci

	on:
	push:
	branches:
	- "main"
	pull_request:
	branches:
	- "main"

	defaults:
	run:
	shell: bash -l {0}

	jobs:
	test:
	name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}, OpenMM ${{ matrix.openmm }}, Pydantic ${{ matrix.pydantic-version }}
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	os: [macOS-latest, ubuntu-latest]
	python-version: ["3.9", "3.9", "3.11", "3.12"]
	pydantic-version: ["1", "2"]
	openmm: [true, false]
	run-mypy: [false]
	exclude:
	- python-version: "3.12"
	openmm: true

	steps:
	- uses: actions/checkout@v4

	- name: Install conda environment with OpenMM
	if: ${{ matrix.openmm == true }}
	uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: devtools/conda-envs/test_env.yaml
	create-args: >-
	python=${{ matrix.python-version }}
	pydantic=${{ matrix.pydantic-version }}

	- name: Install conda environment without OpenMM
	if: ${{ matrix.openmm == false }}
	uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: devtools/conda-envs/no_openmm.yaml
	create-args: >-
	python=${{ matrix.python-version }}

	- name: Install package
	run: python -m pip install -e .

	- name: Run mypy
	if: ${{ matrix.run-mypy == true }}
	run: mypy -p "openff.models"

	- name: Run tests
	run: pytest -v --cov=openff/models --cov-report=xml --color=yes openff/models/tests/

	- name: CodeCov
	uses: codecov/codecov-action@v3
	with:
	token: ${{ secrets.CODECOV_TOKEN }}
	file: ./coverage.xml
	flags: unittests
	name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}

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