Added SphericalIterative() and GradSphericalIterative() to angular_fu… #169
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| on: | |
| push: | |
| branches: [ public ] | |
| tags: | |
| - v* | |
| # Allows you to run this workflow manually from the Actions tab | |
| workflow_dispatch: | |
| jobs: | |
| build_wheels: | |
| name: Build wheels on ${{ matrix.os }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [ubuntu-latest, macos-11] | |
| fail-fast: false | |
| steps: | |
| - uses: actions/checkout@v3 | |
| with: | |
| submodules: 'recursive' | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.x' | |
| - name: Install cibuildwheel | |
| run: python -m pip install cibuildwheel==2.19.1 | |
| - name: Build wheels | |
| run: | | |
| if [ "$RUNNER_OS" == "Linux" ]; then | |
| QUIP_ARCHS=linux_x86_64_gfortran_openmp | |
| elif [ "$RUNNER_OS" == "macOS" ]; then | |
| QUIP_ARCHS="darwin_x86_64_gfortran_openmp darwin_arm64_gfortran_openmp" | |
| else | |
| echo "RUNNER_OS=$RUNNER_OS not supported!" | |
| exit 1 | |
| fi | |
| echo "RUNNER_OS=$RUNNER_OS" | |
| echo "QUIP_ARCHS=${QUIP_ARCHS}" | |
| # see if this workflow run was triggered from a tag | |
| event_ref=${{ github.ref }} | |
| if [[ ! -z $event_ref && $event_ref =~ ^refs/tags/ ]]; then | |
| echo ${{ github.ref }} | sed -e 's|refs/tags/||' > GITHUB_TAG | |
| fi | |
| # map from QUIP_ARCH to cibuildwheel architecture | |
| for QUIP_ARCH in $QUIP_ARCHS; do | |
| case $QUIP_ARCH in | |
| linux_x86_64_gfortran_openmp) | |
| ARCHS=auto64 | |
| ;; | |
| darwin_x86_64_gfortran_openmp) | |
| ARCHS=x86_64 | |
| ;; | |
| darwin_arm64_gfortran_openmp) | |
| ARCHS=arm64 | |
| ;; | |
| esac | |
| echo "QUIP_ARCH=${QUIP_ARCH}, ARCHS=${ARCHS}" | |
| if [[ $ARCHS == "arm64" ]]; then | |
| # install arm64 cross compiler | |
| # taken from https://github.com/MacPython/gfortran-install/blob/master/gfortran_utils.sh#L97 | |
| curl -L -O https://github.com/isuruf/gcc/releases/download/gcc-10-arm-20210228/gfortran-darwin-arm64.tar.gz | |
| export GFORTRAN_SHA=f26990f6f08e19b2ec150b9da9d59bd0558261dd | |
| if [[ "$(shasum gfortran-darwin-arm64.tar.gz)" != "${GFORTRAN_SHA} gfortran-darwin-arm64.tar.gz" ]]; then | |
| echo "shasum mismatch for gfortran-darwin-arm64" | |
| exit 1 | |
| fi | |
| sudo mkdir -p /opt/ | |
| sudo cp "gfortran-darwin-arm64.tar.gz" /opt/gfortran-darwin-arm64.tar.gz | |
| pushd /opt | |
| sudo tar -xvf gfortran-darwin-arm64.tar.gz | |
| sudo rm gfortran-darwin-arm64.tar.gz | |
| popd | |
| export FC_ARM64="$(find /opt/gfortran-darwin-arm64/bin -name "*-gfortran")" | |
| libgfortran="$(find /opt/gfortran-darwin-arm64/lib -name libgfortran.dylib)" | |
| libdir=$(dirname $libgfortran) | |
| export FC_ARM64_LDFLAGS="-L$libdir -Wl,-rpath,$libdir" | |
| # Setup cross build for single arch arm_64 wheels | |
| # host_alias automatically lets autoconf know that we are cross compiling for arm64 darwin | |
| export CIBW_ENVIRONMENT="ARCHS=${ARCHS} QUIP_ARCH=${QUIP_ARCH} RUNNER_OS=${RUNNER_OS} FC=$FC_ARM64 F90=$FC_ARM64 F95=$FC_ARM64 F77=$FC_ARM64 LDFLAGS=\" -arch arm64 $FC_ARM64_LDFLAGS\" NPY_DISTUTILS_APPEND_FLAGS=1 CFLAGS=\" -arch arm64\" CXXFLAGS=\" -arch arm64\" CPPFLAGS=\" -arch arm64\" _PYTHON_HOST_PLATFORM=macosx-11.0-arm64 ARCHFLAGS=\" -arch arm64\" FCFLAGS=\" -arch arm64\" CROSS_COMPILING=1 host_alias=aarch64-apple-darwin20.0.0 MACOSX_DEPLOYMENT_TARGET=11.0 SDKROOT=/Library/Developer/CommandLineTools/SDKs/MacOSX11.3.sdk" | |
| else | |
| export CIBW_ENVIRONMENT="ARCHS=${ARCHS} QUIP_ARCH=${QUIP_ARCH} RUNNER_OS=${RUNNER_OS}" | |
| fi | |
| mkdir -p build/${QUIP_ARCH} | |
| cp quippy/setup.py build/${QUIP_ARCH} | |
| ./bin/gitversion --hash-only > build/${QUIP_ARCH}/VERSION | |
| echo "CIBW_ENVIRONMENT=$CIBW_ENVIRONMENT" | |
| if [ "$RUNNER_OS" == "macOS" ]; then | |
| export CIBW_SKIP="cp27-* cp35-* cp36-* pp*" | |
| python -m cibuildwheel --output-dir wheelhouse --archs $ARCHS build/${QUIP_ARCH} | |
| else | |
| export CIBW_MANYLINUX_X86_64_IMAGE="manylinux2014" | |
| export CIBW_SKIP="cp27-* cp35-* cp36-* pp* *musllinux*" | |
| python -m cibuildwheel --output-dir wheelhouse --archs $ARCHS build/${QUIP_ARCH} | |
| fi | |
| done | |
| env: | |
| CIBW_TEST_SKIP: "*-macosx_arm64" | |
| CIBW_BEFORE_ALL_MACOS: "brew install gfortran && brew unlink gfortran && brew link gfortran" | |
| # CIBW_BEFORE_ALL_LINUX: "which yum && yum install -y gcc-gfortran || apk add gfortran" | |
| CIBW_BEFORE_BUILD: "bash .github/workflows/prepare-wheel-build.sh" | |
| # Uncomment to get SSH access for testing | |
| - name: Setup tmate session | |
| if: failure() | |
| uses: mxschmitt/action-tmate@v3 | |
| timeout-minutes: 15 | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| path: ./wheelhouse/*.whl | |
| - name: Build source tarball | |
| if: startsWith(github.ref, 'refs/tags/') | |
| run: | | |
| pip install git-archive-all | |
| version=$(echo ${{ github.ref }} | sed -e 's|refs/tags/||') | |
| git-archive-all QUIP-$version.tar.gz | |
| - name: Release wheels and source tarball | |
| uses: softprops/action-gh-release@v1 | |
| if: startsWith(github.ref, 'refs/tags/') | |
| with: | |
| files: wheelhouse/*.whl QUIP-*.tar.gz | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| - name: Check tag | |
| id: check-tag | |
| run: | | |
| if [[ ${{ github.ref }} =~ ^refs/tags/v[0-9]+\.[0-9]+\.[0-9]+$ ]]; then | |
| echo ::set-output name=match::true | |
| fi | |
| - name: Deploy to PyPI | |
| if: steps.check-tag.outputs.match == 'true' | |
| run: | | |
| pip install twine | |
| twine upload wheelhouse/*.whl | |
| env: | |
| TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }} | |
| TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }} |