MacOS #104

	name: MacOS

	on:
	# GitHub has started calling new repo's first branch "main" https://github.com/github/renaming
	# The cookiecutter uses the "--initial-branch" flag when it runs git-init
	push:
	branches:
	- "main"
	pull_request:
	branches:
	- "main"
	schedule:
	# Weekly tests run on main by default:
	# Scheduled workflows run on the latest commit on the default or base branch.
	# (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule)
	- cron: "0 0 * * 0"

	jobs:
	test:
	name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}, OpenMM ${{ matrix.openmm-version }}
	runs-on: ${{ matrix.os }}
	strategy:
	matrix:
	os: [macOS-latest]
	python-version: [3.9, "3.11"]
	openmm-version: ["8.1"]

	steps:
	- uses: actions/checkout@v3

	- name: Additional info about the build
	shell: bash
	run: \|
	uname -a
	df -h
	ulimit -a

	# More info on options: https://github.com/marketplace/actions/provision-with-micromamba
	- uses: mamba-org/provision-with-micromamba@main
	with:
	environment-file: devtools/conda-envs/test_env.yaml
	environment-name: test
	channels: conda-forge
	extra-specs: \|
	python=${{ matrix.python-version }}
	openmm=${{ matrix.openmm-version }}

	- name: Install package
	# conda setup requires this special shell
	shell: bash -l {0}
	run: \|
	python -m pip install . --no-deps
	micromamba list

	- name: Run tests
	# conda setup requires this special shell
	shell: bash -l {0}
	run: \|
	pytest -v --cov=ufedmm --cov-report=xml --color=yes --doctest-modules ufedmm/

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