test #8
Workflow file for this run
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: DeePTB tests. | |
| on: | |
| push: | |
| pull_request: | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python 3.8 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.8 | |
| - name: Activate base environment | |
| run: | | |
| source $CONDA/bin/activate | |
| - name: Update 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 | |
| git clone https://github.com/deepmodeling/DeePTB.git | |
| conda install scipy=1.9.1 | |
| cd ./DeePTB | |
| pip install . | |
| pip install pytest | |
| - name: Run Test | |
| run: | | |
| source $CONDA/bin/activate | |
| pytest ./dptb/tests/ |