ensure xyz is specified in info.json files for pair-wise optimizations #769
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| name: CI Tests | |
| on: | |
| push: | |
| pull_request: | |
| branches: | |
| - master | |
| types: [opened, synchronize, reopened, ready_for_review, review_requested] | |
| jobs: | |
| build-and-test-linux: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| max-parallel: 5 | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: 3.8 | |
| miniforge-variant: Miniforge3 | |
| channels: defaults,mjohnson541,conda-forge | |
| channel-priority: true | |
| activate-environment: pynta_env | |
| environment-file: environment.yml | |
| - name: Conda info | |
| run: | | |
| conda info | |
| conda list | |
| - name: Start MongoDB | |
| uses: supercharge/[email protected] | |
| with: | |
| mongodb-version: 5.0.7 | |
| - name: Get working directory | |
| run: pwd | |
| - name: Get local files | |
| run: ls | |
| - name: Setup Fireworks configuration | |
| run: | | |
| cp /home/runner/work/pynta/pynta/test/FW_config.yaml /home/runner/work/pynta/pynta/test/pyntatest/launches | |
| echo y | lpad -l /home/runner/work/pynta/pynta/test/my_launchpad.yaml reset | |
| - name: Tests | |
| run: make test-all | |
| - name: Install codecov | |
| run: conda install -y -c conda-forge codecov | |
| - name: Code coverage | |
| run: codecov |