Release upper version limit on PySCF #355

	name: ci

	on: [push, pull_request]

	jobs:

	pre-commit:

	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v2

	- name: Install Python
	uses: actions/setup-python@v4
	with:
	python-version: '3.10'
	cache: pip
	cache-dependency-path: pyproject.toml

	- name: Update pip and install wheel
	run: pip install -U pip wheel

	- name: Install Python package and dependencies
	run: pip install -e .[pre-commit,tests]

	- name: Run pre-commit
	run: pre-commit run --all-files \|\| ( git status --short ; git diff ; exit 1 )

	tests:

	runs-on: ubuntu-latest
	timeout-minutes: 60

	strategy:
	fail-fast: false
	matrix:
	python-version: ['3.9', '3.10', '3.11']

	services:
	rabbitmq:
	image: rabbitmq:latest
	ports:
	- 5672:5672

	steps:
	- uses: actions/checkout@v2

	- name: Install Python ${{ matrix.python-version }}
	uses: actions/setup-python@v4
	with:
	python-version: ${{ matrix.python-version }}
	cache: pip
	cache-dependency-path: pyproject.toml

	- name: Install system dependencies
	run: sudo apt update && sudo apt install postgresql

	- name: Update pip and install wheel
	run: pip install -U pip wheel

	- name: Install Python package and dependencies
	run: pip install -e .[tests]

	- name: Run pytest
	env:
	AIIDA_WARN_v3: true
	run: pytest -sv tests

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