OpenMM Optimizers #315

	name: Tests
	on:
	push:
	branches:
	- master
	pull_request:
	workflow_dispatch:
	jobs:
	ruff:
	runs-on: ubuntu-22.04
	steps:
	- uses: actions/checkout@v3
	- uses: actions/setup-python@v4
	with:
	python-version: "3.11"
	cache: "pip"
	- run: "pip install '.[dev]'"
	- run: ruff check .
	mypy:
	runs-on: ubuntu-22.04
	steps:
	- uses: actions/checkout@v3
	- uses: actions/setup-python@v4
	with:
	python-version: "3.11"
	cache: "pip"
	- run: "pip install -e '.[dev]'"
	- run: mypy src examples
	ruff-format:
	runs-on: ubuntu-22.04
	steps:
	- uses: actions/checkout@v3
	- uses: actions/setup-python@v4
	with:
	python-version: "3.11"
	cache: "pip"
	- run: "pip install -e '.[dev]'"
	- run: ruff format --check .
	pytest:
	# https://ericmjl.github.io/blog/2021/12/30/better-conda-environments-on-github-actions/
	runs-on: ubuntu-22.04
	defaults:
	run:
	shell: bash -l {0}
	steps:
	- uses: actions/checkout@v3
	- uses: conda-incubator/setup-miniconda@v2
	with:
	auto-update-conda: true
	miniforge-variant: Mambaforge
	channels: conda-forge,defaults
	python-version: 3.11
	activate-environment: pytest
	use-mamba: true
	- name: Build environment
	run: \|
	conda activate pytest
	conda install -c conda-forge openmm openmmtools
	python -m pip install --upgrade pip
	python -m pip install --upgrade setuptools
	python -m pip install -e '.[dev]'
	- run: pytest
	doctest:
	runs-on: ubuntu-22.04
	steps:
	- uses: actions/checkout@v3
	- uses: actions/setup-python@v4
	with:
	python-version: "3.11"
	cache: "pip"
	- run: "pip install -e '.[dev]'"
	- run: make -C docs doctest

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