Make mixfrac explicit in tests #142
Workflow file for this run
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| name: tests | |
| on: | |
| pull_request: | |
| branches: | |
| - master | |
| - develop | |
| push: | |
| branches: | |
| - master | |
| - develop | |
| jobs: | |
| run-test-suite: | |
| runs-on: ubuntu-22.04 | |
| timeout-minutes: 60 | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v3 | |
| - name: Setup Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.10' | |
| - name: Upgrade pip | |
| run: python -m pip install --upgrade pip | |
| - name : Install pipenv | |
| run : python -m pip install --upgrade pipenv | |
| - id: cache-pipenv | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/.local/share/virtualenvs | |
| key: ${{ runner.os }}-pipenv-${{ hashFiles('**/Pipfile.lock') }}_v2 | |
| - name: Get latest commit SHA of libxc master branch | |
| id: get-sha | |
| run: | | |
| echo "::set-output name=sha::$(git ls-remote https://github.com/ElectronicStructureLibrary/libxc.git refs/heads/master | cut -f 1)" | |
| - name: Cache external library | |
| id: cache-libxc | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/libxc/sharedlib/ | |
| key: libxc-${{ runner.os }}-${{ steps.get-sha.outputs.sha }} | |
| - name: Build and install libxc | |
| if: steps.cache-libxc.outputs.cache-hit != 'true' | |
| run: | | |
| install_path=~/libxc/sharedlib/ | |
| cd ~ | |
| git clone https://github.com/ElectronicStructureLibrary/libxc.git | |
| cd ~/libxc | |
| mkdir -p $install_path | |
| cmake -H. -Bobjdir -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$install_path -DENABLE_PYTHON=ON | |
| cd objdir && make | |
| make test | |
| make install | |
| - name: Set LD_LIBRARY_PATH | |
| run: echo "LD_LIBRARY_PATH=$LD_LIBRARY_PATH:~/libxc/sharedlib/" >> $GITHUB_ENV | |
| - name: Cache Python bindings | |
| id: cache-bindings | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/libxc | |
| key: bindings-${{ runner.os }}-${{ steps.get-libxc-sha.outputs.sha }} | |
| - name: Install dependencies | |
| if: steps.cache-pipenv.outputs.cache-hit != 'true' | |
| run: | | |
| cd ${{ github.workspace }} | |
| pipenv install --dev | |
| - name: Install Python bindings | |
| if: steps.cache-bindings.outputs.cache-hit != 'true' | |
| run: | | |
| pipenv run pip install ~/libxc/ | |
| - name: Install atoMEC | |
| run: | | |
| cd ${{ github.workspace }} | |
| pipenv run pip install -e . | |
| - name: Run test suite | |
| run: pipenv run pytest --cov=atoMEC --cov-report=xml --random-order tests/ | |
| - name: Upload coverage reports to Codecov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} |