Lammps Support #1508

	name: CI

	on:
	# run weekly (see issue #186)
	schedule:
	- cron: "42 3 * * 6"
	push:
	branches:
	- "master"
	pull_request:
	branches:
	- "master"


	concurrency:
	group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}"
	cancel-in-progress: true


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


	jobs:
	test:
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	os: ["ubuntu-latest", "macOS-latest", "windows-latest"]
	python-version: ["3.10", "3.11", "3.12"]
	# Only test lowest and highest version on the expensive/slow
	# macOS and windows runners (UPDATE when supported versions change):
	exclude:
	- os: macOS-latest
	python-version: 3.10
	- os: macOS-latest
	python-version: 3.11
	- os: windows-latest
	python-version: 3.10
	- os: windows-latest
	python-version: 3.11

	steps:
	- uses: actions/checkout@v4

	# More info on options: https://github.com/conda-incubator/setup-miniconda
	- uses: mamba-org/setup-micromamba@main
	with:
	environment-file: devtools/conda-envs/test_env.yaml
	environment-name: test
	create-args: \|
	python=${{ matrix.python-version }}

	- name: Install package (with no dependencies)
	run: \|
	python -m pip install . --no-deps

	- name: Run tests
	run: \|
	pytest -v -n 2 --black --cov=alchemlyb --cov-report=xml --color=yes src/alchemlyb/tests
	env:
	MPLBACKEND: agg

	- name: Codecov
	uses: codecov/codecov-action@v4
	with:
	token: ${{ secrets.CODECOV_TOKEN }}
	name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
	file: ./coverage.xml
	fail_ci_if_error: true

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