Devops: Add tox environment that runs tests with sqlite backend #4561

Workflow file for this run

.github/workflows/test-install.yml at c9e0aa4

	name: test-install

	on:
	pull_request:
	paths:
	- environment.yml
	- '*/requirements.txt'
	- pyproject.toml
	- util/dependency_management.py
	- .github/workflows/test-install.yml
	branches-ignore: [gh-pages]
	schedule:
	- cron: 30 02 * * * # nightly build

	# https://docs.github.com/en/actions/using-jobs/using-concurrency
	concurrency:
	# only cancel in-progress jobs or runs for the current workflow - matches against branch & tags
	group: ${{ github.workflow }}-${{ github.ref }}
	cancel-in-progress: true

	jobs:

	validate-dependency-specification:
	# Note: The specification is also validated by the pre-commit hook.

	if: github.repository == 'aiidateam/aiida-core'
	runs-on: ubuntu-latest
	timeout-minutes: 5

	steps:
	- uses: actions/checkout@v4

	- name: Set up Python 3.9
	uses: actions/setup-python@v5
	with:
	python-version: '3.9'

	- name: Install utils/ dependencies
	run: pip install -r utils/requirements.txt

	- name: Validate
	run: \|
	python ./utils/dependency_management.py check-requirements
	python ./utils/dependency_management.py validate-all

	resolve-pip-dependencies:
	# Check whether the environments defined in the requirements/* files are
	# resolvable.

	needs: [validate-dependency-specification]
	if: github.repository == 'aiidateam/aiida-core'
	runs-on: ubuntu-latest
	timeout-minutes: 5

	strategy:
	fail-fast: false
	matrix:
	python-version: ['3.9', '3.10', '3.11', '3.12']

	steps:
	- uses: actions/checkout@v4

	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v5
	with:
	python-version: ${{ matrix.python-version }}

	- name: Resolve dependencies from requirements file.
	run: \|
	pip install --dry-run --ignore-installed -r requirements/requirements-py-${{ matrix.python-version }}.txt

	create-conda-environment:
	# Verify that we can create a valid conda environment from the environment.yml file.

	needs: [validate-dependency-specification]
	if: github.repository == 'aiidateam/aiida-core'
	runs-on: ubuntu-latest
	timeout-minutes: 5

	steps:
	- uses: actions/checkout@v4

	- name: Setup Conda
	uses: conda-incubator/setup-miniconda@v3
	with:
	channels: conda-forge

	- run: conda --version

	- name: Test conda environment
	run: \|
	conda env create --dry-run -f environment.yml -n test-environment

	install-with-pip:

	if: github.repository == 'aiidateam/aiida-core'
	runs-on: ubuntu-latest
	timeout-minutes: 15

	strategy:
	fail-fast: false
	matrix:
	extras: ['', '[atomic_tools,docs,notebook,rest,tests,tui]']

	steps:
	- uses: actions/checkout@v4

	- name: Set up Python 3.9
	uses: actions/setup-python@v5
	with:
	python-version: '3.9'

	- name: Pip install
	id: pip_install
	run: \|
	python -m pip --version
	python -m pip install -e .${{ matrix.extras }}
	python -m pip freeze

	- name: Test importing aiida
	if: steps.pip_install.outcome == 'success'
	run: python -c "import aiida"

	install-with-conda:
	# Verify that we can install AiiDA with conda.

	if: github.repository == 'aiidateam/aiida-core'
	runs-on: ubuntu-latest
	timeout-minutes: 25

	strategy:
	fail-fast: false
	matrix:

	python-version: ['3.9', '3.10', '3.11', '3.12']

	# Not being able to install with conda on a specific Python version is
	# not sufficient to fail the run, but something we want to be aware of.
	optional: [true]

	include:
	# Installing with conda without specyfing the Python version should
	# not fail since this is advocated as part of the user documentation.
	- python-version: ''
	optional: false

	steps:
	- uses: actions/checkout@v4

	- name: Setup Conda
	uses: conda-incubator/setup-miniconda@v3
	with:
	channels: conda-forge

	# Use mamba because conda is running out of memory
	# see https://github.com/conda-incubator/setup-miniconda/issues/274
	- run: \|
	conda install -n base conda-libmamba-solver
	conda config --set solver libmamba

	# Temporary workaround: https://github.com/mamba-org/mamba/issues/488
	- run: rm /usr/share/miniconda/pkgs/cache/*.json

	- name: Test installation
	id: test_installation
	continue-on-error: ${{ matrix.optional }}
	run: >
	conda create --dry-run -n test-install aiida-core
	${{ matrix.python-version && format('python={0}', matrix.python-version) }}

	- name: Warn about failure
	if: steps.test_installation.outcome == 'Failure'
	run: >
	echo "::warning ::Failed conda installation for
	Python ${{ matrix.python-version }}."

	tests:

	needs: [install-with-pip]
	runs-on: ubuntu-latest
	timeout-minutes: 45

	strategy:
	fail-fast: false
	matrix:
	python-version: ['3.9', '3.10', '3.11', '3.12']

	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:3.8.14-management
	ports:
	- 5672:5672
	- 15672:15672
	slurm:
	image: xenonmiddleware/slurm:17
	ports:
	- 5001:22

	steps:
	- uses: actions/checkout@v4

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

	- name: Install aiida-core
	uses: ./.github/actions/install-aiida-core
	with:
	python-version: ${{ matrix.python-version }}
	extras: '[atomic_tools,docs,notebook,rest,tests,tui]'
	from-requirements: 'false'

	- name: Setup AiiDA environment
	run: .github/workflows/setup.sh

	- name: Run test suite
	env:
	AIIDA_TEST_PROFILE: test_aiida
	AIIDA_WARN_v3: 1
	run: pytest --verbose tests -m 'not nightly'

	- name: Freeze test environment
	run: pip freeze \| sed '1d' \| tee requirements-py-${{ matrix.python-version }}.txt

	# Add python-version specific requirements/ file to the requirements.txt artifact.
	# This artifact can be used in the next step to automatically create a pull request
	# updating the requirements (in case they are inconsistent with the pyproject.toml file).
	- uses: actions/upload-artifact@v4
	with:
	name: requirements-py-${{ matrix.python-version }}.txt
	path: requirements-py-${{ matrix.python-version }}.txt

	# Check whether the requirements/ files are consistent with the dependency specification in the pyproject.toml file.
	# If the check fails, warn the user via a comment and try to automatically create a pull request to update the files
	# (does not work on pull requests from forks).

	check-requirements:

	needs: tests

	runs-on: ubuntu-latest
	timeout-minutes: 5

	steps:
	- uses: actions/checkout@v4

	- name: Set up Python 3.9
	uses: actions/setup-python@v5
	with:
	python-version: 3.9

	- name: Install utils/ dependencies
	run: pip install -r utils/requirements.txt

	- name: Check consistency of requirements/ files
	id: check_reqs
	continue-on-error: true
	run: python ./utils/dependency_management.py check-requirements DEFAULT --no-github-annotate

	#
	# The following steps are only executed if the consistency check failed.
	#
	- name: Create commit comment
	if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
	uses: peter-evans/commit-comment@v3
	with:
	token: ${{ secrets.GITHUB_TOKEN }}
	path: pyproject.toml
	body: \|
	The requirements/ files are inconsistent!

	# Check out the base branch so that we can prepare the pull request.
	- name: Checkout base branch
	if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
	uses: actions/checkout@v4
	with:
	ref: ${{ github.head_ref }}
	clean: true

	- name: Download requirements.txt files
	if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
	uses: actions/download-artifact@v4
	with:
	pattern: requirements-py-*
	merge-multiple: true
	path: requirements

	- name: Commit requirements files
	if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
	run: \|
	git add requirements/*

	- name: Create pull request for updated requirements files
	if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
	id: create_update_requirements_pr
	continue-on-error: true
	uses: peter-evans/create-pull-request@v6
	with:
	branch: update-requirements
	commit-message: Automated update of requirements/ files.
	title: Update requirements/ files.
	body: \|
	Update requirements files to ensure that they are consistent
	with the dependencies specified in the 'pyproject.toml' file.

	Please note, that this pull request was likely created to
	resolve the inconsistency for a specific dependency, however
	other versions that have changed since the last update will
	be included as part of this commit as well.

	Click [here](https://github.com/aiidateam/aiida-core/wiki/AiiDA-Dependency-Management) for more information.

	- name: Create PR comment on success
	if: steps.create_update_requirements_pr.outcome == 'Success'
	uses: peter-evans/create-or-update-comment@v4
	with:
	issue-number: ${{ github.event.number }}
	body: \|
	I automatically created a pull request (#${{ steps.create_update_requirements_pr.outputs.pr_number }}) that adapts the
	requirements/ files according to the dependencies specified in the 'pyproject.toml' file.

	- name: Create PR comment on failure
	if: steps.create_update_requirements_pr.outcome == 'Failure'
	uses: peter-evans/create-or-update-comment@v4
	with:
	issue-number: ${{ github.event.number }}
	body: \|
	Please update the requirements/ files to ensure that they
	are consistent with the dependencies specified in the 'pyproject.toml' file.

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Devops: Add tox environment that runs tests with sqlite backend #4561

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Devops: Add tox environment that runs tests with sqlite backend #4561

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