added some thermo entries to lib #1238
Workflow file for this run
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| name: CI | |
| on: [push] | |
| jobs: | |
| build-and-test-linux: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| max-parallel: 5 | |
| env: # update this if needed to match a pull request on the RMG-database | |
| RMG_PY_BRANCH: main | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Get RMG-Py source code | |
| run: | | |
| cd .. | |
| git clone -b $RMG_PY_BRANCH https://github.com/ReactionMechanismGenerator/RMG-Py.git | |
| cd RMG-Py | |
| git clone -b arkanepy3 https://github.com/mjohnson541/Q2DTor.git external/Q2DTor | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| environment-file: ../RMG-Py/environment.yml | |
| python-version: 3.7 | |
| activate-environment: rmg_env | |
| - name: Conda info | |
| run: | | |
| conda info | |
| conda list | |
| - name: Install MOPAC | |
| env: | |
| MOPACKEY: ${{ secrets.MOPACKEY }} | |
| timeout-minutes: 1 | |
| continue-on-error: true # allowed to fail on pull request from a forked repository | |
| run: | | |
| set +o pipefail | |
| yes 'Yes' | ${CONDA_PREFIX}/bin/mopac "$MOPACKEY" | |
| - name: Compile RMG | |
| run: | | |
| cd ../RMG-Py | |
| make | |
| - name: Trigger RMG-tests | |
| if: ${{ github.event_name == 'push' && github.ref != 'refs/heads/main' && github.ref != 'refs/heads/stable' }} # only push events to branches other than main and stable | |
| env: | |
| GH_TOKEN: ${{ secrets.RMG_DEV_TOKEN }} | |
| run: ./trigger-rmg-tests.sh | |
| - name: Unit tests | |
| run: | | |
| cd ../RMG-Py | |
| make test-unittests | |
| - name: Functional tests | |
| if: ${{ success() || failure() }} # Run even if the unit tests failed (but not if they were cancelled) | |
| run: | | |
| cd ../RMG-Py | |
| make test-functional | |
| - name: Database tests | |
| if: ${{ success() || failure() }} # Run even if the functional tests failed (but not if they were cancelled) | |
| run: | | |
| cd ../RMG-Py | |
| make test-database |