CI #355

	name: CI

	on:
	push:
	branches:
	- "main"
	pull_request:
	branches:
	- "main"
	schedule:
	# Nightly 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 * * *"

	concurrency:
	# Specific group naming so CI is only cancelled
	# within same PR or on merge to main
	group: ${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}
	cancel-in-progress: true

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

	jobs:
	test:
	name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	python-version: ["3.9", "3.10", "3.11", "3.12"]
	os: [macOS-latest, ubuntu-latest]

	steps:
	- uses: actions/checkout@v4

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

	- name: Install environment
	uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: devtools/conda-envs/test_env.yaml
	extra-specs: \|
	python=${{ matrix.python-version }}

	- name: Install package
	run: \|
	python -m pip install . --no-deps

	- name: Test the package
	run: \|
	pytest -v openff/nagl_models/tests

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