Add support for aiida-core==2.X
#34
Workflow file for this run
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: CI | |
| on: [push, pull_request] | |
| jobs: | |
| tests: | |
| name: Test Suite | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v3 | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.10' | |
| - name: Install python dependencies | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[tests] | |
| - name: Run test suite | |
| run: pytest | |
| examples: | |
| name: Run examples | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v3 | |
| - name: Set up Docker Buildx | |
| uses: docker/setup-buildx-action@v2 | |
| - name: Build #and push | |
| uses: docker/build-push-action@v2 | |
| with: | |
| context: . | |
| push: false | |
| load: true | |
| tags: aiida_raspa_test | |
| cache-from: type=gha | |
| cache-to: type=gha,mode=max | |
| - name: Run examples | |
| run: | | |
| export DOCKERID=`docker run -d aiida_raspa_test` | |
| docker exec --tty $DOCKERID wait-for-services | |
| docker logs $DOCKERID | |
| docker exec --tty --user aiida $DOCKERID /bin/bash -l -c '\ | |
| verdi run /opt/aiida-raspa/examples/simple_calculations/example_base.py --submit raspa | tee -a log \ | |
| verdi run /opt/aiida-raspa/examples/simple_calculations/example_base_restart.py --submit --previous_calc $(grep pk log | awk '{ print $3 }') raspa \ | |
| verdi run /opt/aiida-raspa/examples/simple_calculations/example_base_restart.py --submit raspa \ | |
| ' | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 10 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.10' | |
| - name: Install python dependencies | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[pre-commit,tests,docs] | |
| - name: Run pre-commit | |
| run: | | |
| pre-commit install | |
| pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) | |
| docs: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 10 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.10' | |
| - name: Install python dependencies | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[docs] | |
| - name: Build docs | |
| run: | | |
| make -C docs html |