update qcmanybody interface #18
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| name: CI | |
| on: | |
| push: | |
| branches: | |
| - "master" | |
| pull_request: | |
| branches: | |
| - "master" | |
| schedule: | |
| # Tests run every Monday | |
| - cron: "0 0 * * 1" | |
| jobs: | |
| test: | |
| name: 🐍 ${{ matrix.python-version }} | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: [3.8, "3.12"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Additional Build Info | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - name: Create Environment | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| extra-specs: python=${{ matrix.python-version }} | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| environment-name: test | |
| channel-priority: flexible | |
| - name: Install crystalatte | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install . --no-deps | |
| conda list | |
| - name: Run tests | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v --color=yes crystalatte/tests/ |