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test-install.yml
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name: test-install
on:
pull_request:
paths:
- environment.yml
- 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 3.11
uses: actions/setup-python@v5
with:
python-version: '3.9'
- name: Set up uv
uses: astral-sh/setup-uv@v4
with:
version: 0.5.6
- name: Install utils/ dependencies
run: uv pip install --system -r utils/requirements.txt
- name: Validate uv lockfile
run: uv lock --locked
- name: Validate conda environment file
run: python ./utils/dependency_management.py validate-environment-yml
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-lock: '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 -n auto --db-backend psql tests -m 'not nightly' tests/