Upate pypi #33

	name: ci

	on: [push, pull_request]

	jobs:

	tests:
	runs-on: ubuntu-latest
	timeout-minutes: 30
	strategy:
	matrix:
	python-version: ["3.11"]
	aiida-version: ["stable"]
	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]
	pip install group_decomposition

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

	docs:
	runs-on: ubuntu-latest
	timeout-minutes: 15
	steps:
	- uses: actions/checkout@v2
	- name: Set up Python 3.11
	uses: actions/setup-python@v2
	with:
	python-version: "3.11"
	- name: Install python dependencies
	run: \|
	pip install --upgrade pip
	pip install -e .[docs]
	pip install group_decomposition
	- 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 3.11
	uses: actions/setup-python@v2
	with:
	python-version: "3.11"
	- 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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