added sorting of trajectories according to stepid #611
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| name: Continuous Integration | |
| on: | |
| push: | |
| branches: | |
| - main | |
| pull_request: | |
| jobs: | |
| test-plugin: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| aiida-version: | |
| - '2.4.3' | |
| - '2.5.1' | |
| timeout-minutes: 30 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Docker Buildx | |
| uses: docker/setup-buildx-action@v1 | |
| # see https://github.com/docker/build-push-action/blob/master/docs/advanced/cache.md#github-cache | |
| - name: Cache Docker layers | |
| uses: actions/cache@v2 | |
| with: | |
| path: /tmp/.buildx-cache | |
| key: ${{ runner.os }}-buildx-${{ github.sha }} | |
| restore-keys: | | |
| ${{ runner.os }}-buildx- | |
| - name: Build | |
| uses: docker/build-push-action@v2 | |
| with: | |
| context: . | |
| push: false | |
| load: true | |
| tags: aiida_cp2k_test | |
| cache-from: type=local,src=/tmp/.buildx-cache | |
| cache-to: type=local,dest=/tmp/.buildx-cache-new | |
| build-args: | | |
| AIIDA_VERSION=${{ matrix.aiida-version }} | |
| # Temp fix | |
| # https://github.com/docker/build-push-action/issues/252 | |
| # https://github.com/moby/buildkit/issues/1896 | |
| - name: Move cache | |
| run: | | |
| rm -rf /tmp/.buildx-cache | |
| mv /tmp/.buildx-cache-new /tmp/.buildx-cache | |
| - name: Create container from aiida_cp2k_test image and test the plugin inside | |
| run: | | |
| export DOCKERID=`docker run -d aiida_cp2k_test` | |
| sleep 5 | |
| docker logs $DOCKERID | |
| docker exec --tty --user aiida $DOCKERID /bin/bash -l -c 'cd /home/aiida/aiida-cp2k/ && py.test --cov aiida_cp2k --cov-append .' | |
| docs: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 10 | |
| strategy: | |
| matrix: | |
| python-version: [3.11] | |
| 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 .[docs,dev] | |
| - name: Build docs | |
| run: cd docs && make |