test again #149
Workflow file for this run
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name: ci | |
on: [push, pull_request] | |
jobs: | |
pre-commit: | |
runs-on: ubuntu-latest | |
timeout-minutes: 15 | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Set up Python 3.11 | |
uses: actions/setup-python@v2 | |
with: | |
python-version: "3.11" | |
- name: Install python dependencies | |
run: | | |
pip install --upgrade pip | |
pip install -e .[pre-commit,docs,testing] | |
- name: Run pre-commit | |
run: | | |
pre-commit install | |
pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) | |
tests: | |
runs-on: ubuntu-latest | |
timeout-minutes: 30 | |
strategy: | |
matrix: | |
python-version: ["3.11"] | |
aiida-version: ["stable"] | |
services: | |
postgres: | |
image: postgres:10 | |
rabbitmq: | |
image: rabbitmq:latest | |
ports: | |
- 5672:5672 | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Set up Python ${{ matrix.python-version }} | |
uses: actions/setup-python@v2 | |
with: | |
python-version: ${{ matrix.python-version }} | |
- name: Install python dependencies | |
run: | | |
pip install --upgrade pip | |
pip install -e .[testing] | |
pip install git+https://kmlefran:[email protected]/kmlefran/subproptools | |
pip install aiida-submission-controller | |
pip install git+https://kmlefran:[email protected]/kmlefran/group_decomposition | |
- name: Run test suite | |
env: | |
# show timings of tests | |
PYTEST_ADDOPTS: "--durations=0" | |
run: pytest -sv tests | |
integration: | |
runs-on: ubuntu-latest | |
strategy: | |
matrix: | |
python-version: ['3.11'] | |
services: | |
postgres: | |
image: postgres:10 | |
env: | |
POSTGRES_HOST: 127.0.0.1 | |
POSTGRES_USER: postgres | |
POSTGRES_PASSWORD: postgres | |
POSTGRES_DB: postgres | |
ports: | |
- 5432:5432 | |
rabbitmq: | |
image: rabbitmq:latest | |
ports: | |
- 5672:5672 | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Cache Python dependencies | |
uses: actions/cache@v1 | |
with: | |
path: ~/.cache/pip | |
key: pip-${{ 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 . | |
- name: Create AiiDA profile | |
run: verdi setup -n --config .github/config/profile.yaml | |
- name: Setup localhost | |
run: verdi computer setup -n --config .github/config/localhost-setup.yaml | |
- name: Configure localhost | |
run: verdi computer configure core.local localhost -n --config .github/config/localhost-config.yaml | |
- name: Setup `aimqb` | |
run: verdi code create core.code.installed -n --config .github/config/code-aim.yaml --filepath-executable /Applications/AIMAll/AIMQB.app/Contents/MacOS/aimqb | |
- name: Setup `g16wfx` | |
run: verdi code create core.code.installed -n --config .github/config/code-gwfx.yaml --filepath-executable /Users/chemlab/Desktop/g16/g16 | |
docs: | |
runs-on: ubuntu-latest | |
timeout-minutes: 15 | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Set up Python 3.11 | |
uses: actions/setup-python@v2 | |
with: | |
python-version: "3.11" | |
- name: Install python dependencies | |
run: | | |
pip install --upgrade pip | |
pip install -e .[docs] | |
pip install git+https://kmlefran:[email protected]/kmlefran/subproptools | |
pip install git+https://kmlefran:[email protected]/kmlefran/group_decomposition | |
pip install pymatgen | |
- name: Build docs | |
run: cd docs && make |