satisfy pylint #4
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
| # https://docs.github.com/en/actions/language-and-framework-guides/using-python-with-github-actions | |
| # | |
| # Contributors to the evolution of this form: | |
| # | |
| # sunqm | |
| # fishjojo | |
| # mjw99 | |
| # yangcal | |
| # maxscheurer | |
| # | |
| name: CI | |
| #FIXME: workflow dependency not working on non-default branch? | |
| #on: | |
| # workflow_run: | |
| # workflows: | |
| # - Lint | |
| # types: | |
| # - completed | |
| on: [push, pull_request] | |
| jobs: | |
| linux-build: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-20.04] | |
| python-version: ["3.8", "3.12"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install and Test | |
| run: ./.github/workflows/run_ci.sh | |
| - name: Upload to codecov | |
| if: matrix.python-version == '3.8' | |
| uses: codecov/[email protected] | |
| with: | |
| token: ${{secrets.CODECOV_TOKEN}} | |
| linux-build-aarch64: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: true | |
| matrix: | |
| os: [ubuntu-20.04] | |
| pyver: [cp39-cp39] | |
| env: | |
| img: quay.io/pypa/manylinux2014_aarch64 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up QEMU | |
| id: qemu | |
| uses: docker/setup-qemu-action@v2 | |
| - name: Build Wheel | |
| run: | | |
| docker run --rm -v ${{ github.workspace }}:/src/pyscf:rw --workdir=/src/pyscf ${{ env.img }} \ | |
| bash -exc '/opt/python/${{ matrix.pyver }}/bin/pip install --upgrade pip setuptools && \ | |
| /opt/python/${{ matrix.pyver }}/bin/pip install "numpy!=1.16,!=1.17" "scipy!=1.5" h5py==3.10 pytest pytest-cov pytest-timer pyberny geometric && \ | |
| yum install -y epel-release && \ | |
| yum-config-manager --enable epel && \ | |
| yum install -y openblas-devel gcc cmake curl && \ | |
| cd ./pyscf/lib && curl -o deps.tar.gz -L "https://github.com/pyscf/pyscf-build-deps/blob/master/pyscf-2.2-aarch64-deps.tar.gz?raw=true" && \ | |
| tar xzf deps.tar.gz && \ | |
| mkdir build && cd build && \ | |
| cmake -DBUILD_LIBXC=OFF -DBUILD_XCFUN=OFF -DBUILD_LIBCINT=OFF .. && \ | |
| make -j2 && cd .. && rm -Rf build && cd ../.. && \ | |
| export OMP_NUM_THREADS=1 && export PYTHONPATH=$(pwd):$PYTHONPATH && \ | |
| echo 'pbc_tools_pbc_fft_engine = "NUMPY"' > .pyscf_conf.py && \ | |
| echo "dftd3_DFTD3PATH = './pyscf/lib/deps/lib'" >> .pyscf_conf.py && \ | |
| echo "scf_hf_SCF_mute_chkfile = True" >> .pyscf_conf.py && \ | |
| ulimit -s 20000 && /opt/python/${{ matrix.pyver }}/bin/pytest pyscf/ --ignore=pyscf/adc --ignore=pyscf/pbc/df --ignore=pyscf/pbc/cc -s -c pytest.ini pyscf' | |
| macos-build: | |
| runs-on: macos-latest | |
| strategy: | |
| fail-fast: true | |
| matrix: | |
| python-version: ["3.10"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install and Test | |
| run: ./.github/workflows/run_ci.sh | |
| - name: Upload to codecov | |
| uses: codecov/[email protected] | |
| with: | |
| token: ${{secrets.CODECOV_TOKEN}} |