add output for freq task #57

	name: ci

	on: [push, pull_request]

	jobs:

	pre-commit:

	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v3

	- name: Install Python 3.10
	uses: actions/setup-python@v3
	with:
	python-version: '3.10'

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

	- uses: pre-commit/[email protected]

	tests:

	runs-on: ubuntu-latest
	timeout-minutes: 10

	strategy:
	fail-fast: false
	matrix:
	python-version: ['3.8', '3.9', '3.10']

	services:
	rabbitmq:
	image: rabbitmq:3.8.14
	ports:
	- 5672:5672

	steps:
	- uses: actions/checkout@v3

	- name: Install Python ${{ matrix.python-version }}
	uses: actions/setup-python@v3
	with:
	python-version: ${{ matrix.python-version }}

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

	- 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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