style is enforced and clean now #10

	name: ci

	on: [push, pull_request]

	jobs:

	tests:
	runs-on: ubuntu-latest
	timeout-minutes: 30
	strategy:
	matrix:
	python-version: ['3.10','3.11','3.12']
	aiida-version: ['stable']

	services:
	postgres:
	image: postgres:10
	env:
	POSTGRES_DB: test_aiida
	POSTGRES_PASSWORD: ''
	POSTGRES_HOST_AUTH_METHOD: trust
	options: >-
	--health-cmd pg_isready
	--health-interval 10s
	--health-timeout 5s
	--health-retries 5
	ports:
	- 5432:5432
	rabbitmq:
	image: rabbitmq:latest
	ports:
	- 5672:5672

	steps:
	- uses: actions/checkout@v2

	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}

	- name: Install python dependencies
	run: \|
	pip install --upgrade pip
	pip install -e .[testing]

	- name: Run test suite
	env:
	# show timings of tests
	PYTEST_ADDOPTS: "--durations=0"
	run: pytest --cov aiida_mlip --cov-append .

	docs:
	runs-on: ubuntu-latest
	timeout-minutes: 15
	steps:
	- uses: actions/checkout@v2
	- name: Set up Python 3.10
	uses: actions/setup-python@v2
	with:
	python-version: "3.10"
	- name: Install python dependencies
	run: \|
	pip install --upgrade pip
	pip install -e .[docs]
	- name: Build docs
	run: cd docs && make

	pre-commit:
	runs-on: ubuntu-latest
	timeout-minutes: 15
	steps:
	- uses: actions/checkout@v2
	- name: Set up Python 3.10
	uses: actions/setup-python@v2
	with:
	python-version: "3.10"
	- name: Install python dependencies
	run: \|
	pip install --upgrade pip
	pip install -e .[pre-commit,docs,testing]
	- name: Run pre-commit
	run: \|
	pre-commit install
	pre-commit run --all-files \|\| ( git status --short ; git diff ; exit 1 )

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