publish_pypi.yml

name: Build and publish package to PyPI
on:
  release:
    types: [published]
  schedule:
    # Run at 10 am UTC on day-of-month 1 and 15.
    - cron: "0 10 1,15 * *"
  workflow_dispatch:
    inputs:
      target:
        description: 'Deployment target. Can be "pypi" or "testpypi"'
        default: "testpypi"
      debug_enabled:
        type: boolean
        description: 'Run the build with tmate debugging enabled (https://github.com/marketplace/actions/debugging-with-tmate)'
        required: false
        default: false
  pull_request: # Temporarily trigger on PRs for debugging, remove later
    types: [opened, synchronize, reopened]

# Set options available for all jobs that use cibuildwheel
env:
  # Increase pip debugging output, equivalent to `pip -vv`
  CIBW_BUILD_VERBOSITY: 2
  # Disable build isolation to allow pre-installing build-time dependencies.
  # Note: CIBW_BEFORE_BUILD must be present in all jobs using cibuildwheel.
  CIBW_BUILD_FRONTEND: "pip; args: --no-build-isolation"
  # Skip PyPy and MUSL builds in any and all jobs
  CIBW_SKIP: "pp* *musllinux*"
  FORCE_COLOR: 3

jobs:
  build_windows_wheels:
    name: Wheels (windows-latest)
    runs-on: windows-latest
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: 3.11

      - name: Get number of cores on Windows
        id: get_num_cores
        shell: python
        run: |
          from os import environ, cpu_count
          num_cpus = cpu_count()
          output_file = environ['GITHUB_OUTPUT']
          with open(output_file, "a", encoding="utf-8") as output_stream:
              output_stream.write(f"count={num_cpus}\n")

      - name: Install vcpkg on Windows
        run: |
          cd C:\
          rm -r -fo 'C:\vcpkg'
          git clone https://github.com/microsoft/vcpkg
          cd vcpkg
          .\bootstrap-vcpkg.bat

      - name: Cache packages installed through vcpkg on Windows
        uses: actions/cache@v4
        env:
          cache-name: vckpg_binary_cache
        with:
          path: C:\Users\runneradmin\AppData\Local\vcpkg\archives
          key: ${{ runner.os }}-build-VS2022-${{ env.cache-name }}-${{ hashFiles('vcpkg*.json') }}

      # Enable tmate debugging of manually-triggered workflows if the input option was provided
      - name: Setup tmate session
        uses: mxschmitt/action-tmate@v3
        if: ${{ github.event_name == 'workflow_dispatch' && inputs.debug_enabled }}

      - name: Build 64-bit wheels on Windows
        uses: pypa/cibuildwheel@v2.19.2
        with:
          package-dir: .
          output-dir: wheelhouse
        env:
          CIBW_ENVIRONMENT: >
            PYBAMM_USE_VCPKG=ON
            VCPKG_ROOT_DIR=C:\vcpkg
            VCPKG_DEFAULT_TRIPLET=x64-windows-static-md
            VCPKG_FEATURE_FLAGS=manifests,registries
            CMAKE_GENERATOR="Visual Studio 17 2022"
            CMAKE_GENERATOR_PLATFORM=x64
            CMAKE_BUILD_PARALLEL_LEVEL=${{ steps.get_num_cores.outputs.count }}
          CIBW_ARCHS: AMD64
          CIBW_BEFORE_BUILD: python -m pip install scikit-build-core delvewheel pybind11
          CIBW_REPAIR_WHEEL_COMMAND: delvewheel repair -w {dest_dir} {wheel}
          CIBW_TEST_EXTRAS: "all,dev,jax"
          CIBW_TEST_COMMAND: |
            python -c "import pybamm; print(pybamm.IDAKLUSolver())"
            python -m pytest -m cibw {project}/tests/unit
      - name: Upload Windows wheels
        uses: actions/upload-artifact@v4.3.6
        with:
          name: wheels_windows
          path: ./wheelhouse/*.whl
          if-no-files-found: error

  build_manylinux_wheels:
    name: Wheels (linux-amd64)
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
        name: Check out PyBaMM repository

      - uses: actions/setup-python@v5
        name: Set up Python
        with:
          python-version: 3.11

      - name: Build wheels on Linux
        uses: pypa/cibuildwheel@v2.19.2
        with:
          package-dir: .
          output-dir: wheelhouse
        env:
          CIBW_ARCHS_LINUX: x86_64
          CIBW_BEFORE_BUILD_LINUX: |
            set -e -x
            yum update -y
            yum -y install openblas-devel
            python scripts/install_KLU_Sundials.py
            python -m pip install cmake casadi scikit-build-core pybind11
          CIBW_REPAIR_WHEEL_COMMAND_LINUX: auditwheel repair -w {dest_dir} {wheel}
          CIBW_TEST_EXTRAS: "all,dev,jax"
          CIBW_TEST_COMMAND: |
            set -e -x
            python -c "import pybamm; print(pybamm.IDAKLUSolver())"
            python -m pytest -m cibw {project}/tests/unit

      - name: Upload wheels for Linux
        uses: actions/upload-artifact@v4.3.6
        with:
          name: wheels_manylinux
          path: ./wheelhouse/*.whl
          if-no-files-found: error

  build_macos_wheels:
    name: Wheels (${{ matrix.os }})
    runs-on: ${{ matrix.os }}
    strategy:
      matrix:
        os: [macos-13, macos-14]
      fail-fast: false
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: '3.11'

      - name: Set macOS-specific environment variables
        run: echo "MACOSX_DEPLOYMENT_TARGET=11.0" >> $GITHUB_ENV

      - name: Build wheels on macOS
        uses: pypa/cibuildwheel@v2.19.2
        with:
          package-dir: .
          output-dir: wheelhouse
        env:
          CIBW_BEFORE_ALL: |
            set -e -x

            # Set LLVM-OpenMP URL
            if [[ $(uname -m) == "x86_64" ]]; then
              OPENMP_URL="https://anaconda.org/conda-forge/llvm-openmp/11.1.0/download/osx-64/llvm-openmp-11.1.0-hda6cdc1_1.tar.bz2"
            elif [[ $(uname -m) == "arm64" ]]; then
              OPENMP_URL="https://anaconda.org/conda-forge/llvm-openmp/11.1.0/download/osx-arm64/llvm-openmp-11.1.0-hf3c4609_1.tar.bz2"
            fi

            # Download gfortran with proper macOS minimum version (11.0)
            if [[ $(uname -m) == "x86_64" ]]; then
              GFORTRAN_URL="https://github.com/isuruf/gcc/releases/download/gcc-11.3.0-2/gfortran-darwin-x86_64-native.tar.gz"
              KNOWN_SHA256="981367dd0ad4335613e91bbee453d60b6669f5d7e976d18c7bdb7f1966f26ae4 gfortran.tar.gz"
            elif [[ $(uname -m) == "arm64" ]]; then
              GFORTRAN_URL="https://github.com/isuruf/gcc/releases/download/gcc-11.3.0-2/gfortran-darwin-arm64-native.tar.gz"
              KNOWN_SHA256="84364eee32ba843d883fb8124867e2bf61a0cd73b6416d9897ceff7b85a24604 gfortran.tar.gz"
            fi

            # Validate gfortran tarball
            curl -L $GFORTRAN_URL -o gfortran.tar.gz
            if ! echo "$KNOWN_SHA256" != "$(shasum --algorithm 256 gfortran.tar.gz)"; then
              echo "Checksum failed"
              exit 1
            fi

            mkdir -p gfortran_installed
            tar -xv -C gfortran_installed/ -f gfortran.tar.gz

            if [[ $(uname -m) == "x86_64" ]]; then
              export FC=$(pwd)/gfortran_installed/gfortran-darwin-x86_64-native/bin/gfortran
              export PATH=$(pwd)/gfortran_installed/gfortran-darwin-x86_64-native/bin:$PATH
            elif [[ $(uname -m) == "arm64" ]]; then
              export FC=$(pwd)/gfortran_installed/gfortran-darwin-arm64-native/bin/gfortran
              export PATH=$(pwd)/gfortran_installed/gfortran-darwin-arm64-native/bin:$PATH
            fi

            # link libgfortran dylibs and place them in sundials_KLU_libs/lib/
            # and then change rpath to /sundials_KLU_libs/lib/ for each of them
            # Note: libgcc_s.1.dylib not available on macOS arm64; skip for now

            mkdir -p $(pwd)/sundials_KLU_libs/lib/

            if [[ $(uname -m) == "x86_64" ]]; then
              lib_dir=$(pwd)/gfortran_installed/gfortran-darwin-x86_64-native/lib
              for lib in libgfortran.5.dylib libgfortran.dylib libquadmath.0.dylib libquadmath.dylib libgcc_s.1.dylib libgcc_s.1.1.dylib; do
                cp $lib_dir/$lib $(pwd)/sundials_KLU_libs/lib/
                install_name_tool -id $(pwd)/sundials_KLU_libs/lib/$lib $(pwd)/sundials_KLU_libs/lib/$lib
                codesign --force --sign - $(pwd)/sundials_KLU_libs/lib/$lib
              done
            elif [[ $(uname -m) == "arm64" ]]; then
              lib_dir=$(pwd)/gfortran_installed/gfortran-darwin-arm64-native/lib
              for lib in libgfortran.5.dylib libgfortran.dylib libquadmath.0.dylib libquadmath.dylib libgcc_s.1.1.dylib; do
                cp $lib_dir/$lib $(pwd)/sundials_KLU_libs/lib/
                install_name_tool -id $(pwd)/sundials_KLU_libs/lib/$lib $(pwd)/sundials_KLU_libs/lib/$lib
                codesign --force --sign - $(pwd)/sundials_KLU_libs/lib/$lib
              done
            fi

            export SDKROOT=${SDKROOT:-$(xcrun --show-sdk-path)}

            # Can't download LLVM-OpenMP directly, use conda/mamba and set environment variables
            brew install miniforge
            mamba create -n pybamm-dev $OPENMP_URL
            if [[ $(uname -m) == "x86_64" ]]; then
              PREFIX="/usr/local/Caskroom/miniforge/base/envs/pybamm-dev"
            elif [[ $(uname -m) == "arm64" ]]; then
              PREFIX="/opt/homebrew/Caskroom/miniforge/base/envs/pybamm-dev"
            fi

            # Copy libomp.dylib from PREFIX to /sundials_KLU_libs/lib/, needed for wheel repair
            cp $PREFIX/lib/libomp.dylib $(pwd)/sundials_KLU_libs/lib/
            install_name_tool -id $(pwd)/sundials_KLU_libs/lib/libomp.dylib $(pwd)/sundials_KLU_libs/lib/libomp.dylib
            codesign --force --sign - $(pwd)/sundials_KLU_libs/lib/libomp.dylib

            export CC=/usr/bin/clang
            export CXX=/usr/bin/clang++
            export CPPFLAGS="$CPPFLAGS -Xpreprocessor -fopenmp"
            export CFLAGS="$CFLAGS -I$PREFIX/include"
            export CXXFLAGS="$CXXFLAGS -I$PREFIX/include"
            export LDFLAGS="$LDFLAGS -L$PREFIX/lib -lomp"

            python scripts/install_KLU_Sundials.py
          CIBW_ARCHS_MACOS: auto
          CIBW_BEFORE_BUILD: |
            python -m pip install cmake casadi scikit-build-core delocate pybind11
          CIBW_REPAIR_WHEEL_COMMAND: |
            if [[ $(uname -m) == "x86_64" ]]; then
              delocate-listdeps {wheel} && delocate-wheel -v -w {dest_dir} {wheel}
            elif [[ $(uname -m) == "arm64" ]]; then
              # Use higher macOS target for now: https://github.com/casadi/casadi/issues/3698
              delocate-listdeps {wheel} && delocate-wheel -v -w {dest_dir} {wheel} --require-target-macos-version 11.1
              for file in {dest_dir}/*.whl; do mv "$file" "${file//macosx_11_1/macosx_11_0}"; done
            fi
          CIBW_TEST_EXTRAS: "all,dev,jax"
          CIBW_TEST_COMMAND: |
            set -e -x
            python -c "import pybamm; print(pybamm.IDAKLUSolver())"
            python -m pytest -m cibw {project}/tests/unit

      - name: Upload wheels for macOS (amd64, arm64)
        uses: actions/upload-artifact@v4.3.6
        with:
          name: wheels_${{ matrix.os }}
          path: ./wheelhouse/*.whl
          if-no-files-found: error

  build_sdist:
    name: Build SDist
    runs-on: ubuntu-latest

    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: 3.12

      - name: Build SDist
        run: pipx run build --sdist

      - name: Upload SDist
        uses: actions/upload-artifact@v4.3.6
        with:
          name: sdist
          path: ./dist/*.tar.gz
          if-no-files-found: error

  publish_pypi:
    # This job is only of value to PyBaMM and would always be skipped in forks
    if: >-
      (github.event_name == 'workflow_dispatch' ||
      github.event_name == 'release') &&
      github.repository == 'pybamm-team/PyBaMM'
    name: Upload package to PyPI
    needs: [
      build_manylinux_wheels,
      build_macos_wheels,
      build_windows_wheels,
      build_sdist
    ]
    runs-on: ubuntu-latest
    environment:
      name: pypi
      url: https://pypi.org/p/pybamm
    permissions:
      id-token: write

    steps:
      - name: Download all artifacts
        uses: actions/download-artifact@v4
        with:
          path: artifacts
          merge-multiple: true

      - name: Sanity check downloaded artifacts
        run: ls -lA artifacts/

      - name: Publish to PyPI
        if: github.event.inputs.target == 'pypi' || github.event_name == 'release'
        uses: pypa/gh-action-pypi-publish@release/v1
        with:
          packages-dir: artifacts/

      - name: Publish to TestPyPI
        if: github.event.inputs.target == 'testpypi'
        uses: pypa/gh-action-pypi-publish@release/v1
        with:
          packages-dir: artifacts/
          repository-url: https://test.pypi.org/legacy/

  open_failure_issue:
    needs: [
      build_windows_wheels,
      build_manylinux_wheels,
      build_macos_wheels,
      build_sdist
    ]
    name: Open an issue if build fails
    if: ${{ always() && contains(needs.*.result, 'failure') && github.repository_owner == 'pybamm-team'}}
    runs-on: ubuntu-latest
    steps:
    - uses: actions/checkout@v4
    - uses: JasonEtco/create-an-issue@v2
      env:
        GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
        LOGS: ${{ github.server_url }}/${{ github.repository }}/actions/runs/${{ github.run_id }}
      with:
        filename: .github/wheel_failure.md