Implement the molecule module internally #64
Workflow file for this run
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| name: CI | |
| on: | |
| workflow_dispatch: | |
| pull_request: | |
| branches: [main] | |
| types: [opened, synchronize, reopened] | |
| schedule: | |
| - cron: '0 0 * * *' | |
| jobs: | |
| build-and-test: | |
| name: CI and Functional Tests | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -el {0} | |
| steps: | |
| - name: Checkout ARC | |
| uses: actions/checkout@v4 | |
| with: | |
| path: ARC | |
| - name: Cache micromamba packages | |
| uses: actions/cache@v4 | |
| with: | |
| path: ~/micromamba/pkgs | |
| key: micromamba-pkgs-${{ runner.os }}-${{ hashFiles('ARC/environment.yml') }} | |
| restore-keys: micromamba-pkgs-${{ runner.os }}- | |
| - name: Set up micromamba and create arc_env | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-name: arc_env | |
| environment-file: ARC/environment.yml | |
| cache-environment: true | |
| cache-downloads: true | |
| create-args: --strict-channel-priority | |
| generate-run-shell: true | |
| - name: Cache RMG-Py | |
| uses: actions/cache@v4 | |
| with: | |
| path: ../RMG-Py | |
| key: rmg-py-${{ hashFiles('ARC/RMG_PY_COMMIT_HASH') }} | |
| restore-keys: rmg-py- | |
| - name: Install RMG-Py | |
| working-directory: ARC | |
| run: | | |
| bash devtools/install_rmg.sh | |
| - name: Install ARC external packages | |
| working-directory: ARC | |
| run: | | |
| make install | |
| - name: Run Unit Tests | |
| working-directory: ARC | |
| run: | | |
| echo "Running Unit Tests..." | |
| export PYTHONPATH="${{ github.workspace }}/molecule:${{ github.workspace }}/AutoTST:${{ github.workspace }}/KinBot:$PYTHONPATH" | |
| pytest arc/ --cov --cov-report=xml -ra -vv | |
| - name: Run Functional Tests | |
| working-directory: ARC | |
| run: | | |
| echo "Running Functional Tests..." | |
| export PYTHONPATH="${{ github.workspace }}/molecule:${{ github.workspace }}/AutoTST:${{ github.workspace }}/KinBot:$PYTHONPATH" | |
| pytest functional/ -ra -vv | |
| - name: Upload coverage data | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: ARC/coverage.xml | |
| flags: unittests,functionaltests | |
| name: codecov-umbrella | |
| verbose: true | |
| fail_ci_if_error: false |