test action #21
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| name: DeePTB tests. | |
| on: | |
| push: | |
| pull_request: | |
| jobs: | |
| build: | |
| runs-on: self-hosted | |
| if: github.repository_owner == 'deepmodeling' | |
| container: ghcr.io/deepmodeling/deeptb:latest | |
| strategy: | |
| matrix: | |
| python-version: [3.8.13] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Setup base environment | |
| run: | | |
| source $CONDA/bin/activate | |
| $CONDA/bin/conda update -n base -c defaults conda | |
| - name: Install DeePTB | |
| run: | | |
| source $CONDA/bin/activate | |
| conda install pip | |
| conda update pip | |
| conda install -c conda-forge libopenblas | |
| codna install libopenblas-dev | |
| git clone https://github.com/deepmodeling/DeePTB.git | |
| cd ./DeePTB | |
| pip install . | |
| pip install pytest | |
| - name: Run Test | |
| run: | | |
| source $CONDA/bin/activate | |
| pytest ./dptb/tests/ |