Kliff master v1 #495
Workflow file for this run
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| name: Testing | |
| on: [push, pull_request] | |
| jobs: | |
| lint: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5.0.0 | |
| with: | |
| python-version: "3.10" | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install pre-commit | |
| pip install click>=8.0.0 | |
| - name: Lint | |
| run: pre-commit run --show-diff-on-failure --all-files | |
| test: | |
| strategy: | |
| matrix: | |
| #os: [ubuntu-latest, macos-latest] | |
| os: [ubuntu-latest] | |
| python-version: ["3.9","3.10","3.11"] | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up micromamba | |
| uses: mamba-org/setup-micromamba@v1.8.0 | |
| with: | |
| # the create command looks like this: | |
| # `micromamba create -n test-env python=<the corresponding version> kim-api=2.3.0` | |
| environment-name: test-env | |
| cache-environment: true | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| kim-api=2.3.0 | |
| cmake<4.0.0 | |
| ipcamit::libdescriptor=0.2.5 | |
| - name: Install KIM model | |
| shell: bash -el {0} | |
| run: | | |
| kim-api-collections-management install user SW_StillingerWeber_1985_Si__MO_405512056662_006 | |
| - name: Install | |
| shell: bash -el {0} | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install .[test] | |
| # install torch dependencies | |
| # Need to install torch manually as the install group cannot find torch | |
| python -m pip install torch --index-url https://download.pytorch.org/whl/cpu | |
| python -m pip install .[torch] | |
| # TODO, here, we install ptemcee from Yonatan's fork. See setup.py for details. | |
| python -m pip uninstall --yes ptemcee | |
| python -m pip install git+https://github.com/yonatank93/ptemcee.git@enhance_v1.0.0 | |
| - name: Run tests | |
| shell: bash -el {0} | |
| run: | | |
| export LD_LIBRARY_PATH=$CONDA_PREFIX/lib:$LD_LIBRARY_PATH | |
| cd tests | |
| pytest --cov=kliff --cov-report=xml | |
| - uses: codecov/codecov-action@v4 | |
| if: matrix.os == 'ubuntu-latest' && matrix.python-version == '3.10' && github.repository == 'openkim/kliff' | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: ./coverage.xml |