Bug: PhBaseWorkChain.set_qpoints
doesn't work as expected
#2414
Workflow file for this run
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name: ci | |
on: [push, pull_request] | |
jobs: | |
pre-commit: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Cache Python dependencies | |
uses: actions/cache@v1 | |
with: | |
path: ~/.cache/pip | |
key: pip-pre-commit-${{ hashFiles('**/setup.json') }} | |
restore-keys: | |
pip-pre-commit- | |
- name: Set up Python | |
uses: actions/setup-python@v2 | |
with: | |
python-version: '3.8' | |
- name: Install Python dependencies | |
run: pip install -e .[pre-commit,tests] | |
- name: Run pre-commit | |
run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) | |
tests: | |
runs-on: ubuntu-latest | |
strategy: | |
matrix: | |
python-version: ['3.8', '3.9', '3.10', '3.11'] | |
services: | |
postgres: | |
image: postgres:12 | |
rabbitmq: | |
image: rabbitmq:latest | |
ports: | |
- 5672:5672 | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Cache Python dependencies | |
uses: actions/cache@v1 | |
with: | |
path: ~/.cache/pip | |
key: pip-${{ 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: ${{ matrix.python-version }} | |
- name: Install Python dependencies | |
run: pip install -e .[tests] | |
- name: Run pytest | |
env: | |
AIIDA_WARN_v3: 1 | |
run: pytest -sv tests | |
integration: | |
runs-on: ubuntu-latest | |
strategy: | |
matrix: | |
python-version: ['3.10'] | |
services: | |
postgres: | |
image: postgres:12 | |
env: | |
POSTGRES_HOST: 127.0.0.1 | |
POSTGRES_USER: postgres | |
POSTGRES_PASSWORD: postgres | |
POSTGRES_DB: postgres | |
ports: | |
- 5432:5432 | |
rabbitmq: | |
image: rabbitmq:latest | |
ports: | |
- 5672:5672 | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Cache Python dependencies | |
uses: actions/cache@v1 | |
with: | |
path: ~/.cache/pip | |
key: pip-${{ 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 system dependencies | |
run: sudo apt update && sudo apt install --no-install-recommends libfftw3-dev quantum-espresso | |
- 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 `pw.x` | |
run: verdi code create core.code.installed -n --config .github/config/code-pw.yaml --filepath-executable $(which pw.x) | |
- name: Setup `ph.x` | |
run: verdi code create core.code.installed -n --config .github/config/code-ph.yaml --filepath-executable $(which ph.x) | |
- name: Setup SSSP | |
run: aiida-pseudo install sssp -v 1.3 -x PBEsol -p efficiency | |
- name: Run test script | |
run: python .github/scripts/run_documentation_scripts.py |