New utilities, nac and polarization directions in Cartesian, and load… #232

	name: ci

	on: [push, pull_request]

	jobs:

	pre-commit:

	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v1

	- name: Cache python dependencies
	id: cache-pip
	uses: actions/cache@v1
	with:
	path: ~/.cache/pip
	key: pip-pre-commit-${{ hashFiles('**/setup.json') }}
	restore-keys:
	pip-pre-commit-

	- name: Set up Python
	uses: actions/setup-python@v2
	with:
	python-version: '3.10'

	- name: Install python 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

	strategy:
	matrix:
	python-version: ['3.10']

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

	steps:
	- uses: actions/checkout@v2

	- name: Cache python dependencies
	id: cache-pip
	uses: actions/cache@v1
	with:
	path: ~/.cache/pip
	key: pip-${{ matrix.python-version }}-tests-${{ hashFiles('**/setup.json') }}
	restore-keys:
	pip-${{ matrix.python-version }}-tests

	- 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 -e .[tests]

	- name: Run pytest
	env:
	AIIDA_WARN_v3: 1
	run: pytest -sv --cov aiida_vibroscopy tests

	- name: Upload to Codecov
	if: matrix.python-version == 3.10
	uses: codecov/codecov-action@v3
	with:
	token: ${{ secrets.CODECOV_TOKEN }}
	name: pytests-vibroscopy3.9
	flags: pytests
	fail_ci_if_error: true

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