release.yml

name: release

on:
  push:
    tags:
      - "v*"
  workflow_dispatch:

jobs:
  sdist:
    name: Build sdist
    runs-on: ubuntu-latest
    permissions:
      contents: read
    steps:
      - uses: actions/checkout@v4
        with:
          fetch-depth: 0

      - uses: actions/setup-python@v5
        with:
          python-version: "3.12"

      - name: Build source distribution
        run: |
          python -m pip install -U pip build
          python -m build -s

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

  # ----- Linux (native x86_64 + native aarch64) -----
  wheels-linux:
    name: Build Linux wheels (${{ matrix.arch }})
    strategy:
      fail-fast: false
      matrix:
        include:
          - arch: x86_64
            runner: ubuntu-latest
            image_var: CIBW_MANYLINUX_X86_64_IMAGE
          - arch: aarch64
            runner: ubuntu-24.04-arm
            image_var: CIBW_MANYLINUX_AARCH64_IMAGE
    runs-on: ${{ matrix.runner }}
    permissions:
      contents: read
    steps:
      - uses: actions/checkout@v4
        with:
          fetch-depth: 0

      - name: Restore ccache
        uses: actions/cache@v4
        with:
          path: .ccache
          key: ccache-linux-${{ matrix.arch }}-${{ hashFiles('**/CMakeLists.txt', '**/*.cmake', '**/*.cpp', '**/*.h', 'pyproject.toml') }}

      - name: Build wheels with cibuildwheel (${{ matrix.arch }})
        uses: pypa/cibuildwheel@v2.21.3
        env:
          CIBW_BUILD: cp310-* cp311-* cp312-*
          CIBW_SKIP: pp* *-musllinux_*
          CIBW_ARCHS_LINUX: ${{ matrix.arch }}
          ${{ matrix.image_var }}: manylinux_2_28

          # Install build tools + FFTW + Boost headers; robust ccache fallback (pkg -> prebuilt -> source)
          CIBW_BEFORE_ALL_LINUX: |
            set -eux

            pm_install() {
              if command -v dnf >/dev/null 2>&1; then
                dnf -y install pkgconfig ninja-build unzip make which curl ca-certificates xz tar gzip cmake gcc-c++ fftw fftw-devel boost-devel libzstd libzstd-devel || true
              elif command -v yum >/dev/null 2>&1; then
                yum -y install pkgconfig ninja-build unzip make which curl ca-certificates xz tar gzip cmake gcc-c++ fftw fftw-devel boost-devel libzstd libzstd-devel || true
              elif command -v microdnf >/dev/null 2>&1; then
                microdnf -y install pkgconfig ninja-build unzip make which curl ca-certificates xz tar gzip cmake gcc-c++ fftw fftw-devel boost-devel libzstd libzstd-devel || true
              elif command -v apt-get >/dev/null 2>&1; then
                apt-get update -y
                apt-get install -y --no-install-recommends \
                  pkg-config ninja-build unzip make curl ca-certificates xz-utils tar gzip cmake g++ \
                  libfftw3-3 libfftw3-dev libboost-all-dev zstd libzstd-dev
              else
                echo "No supported package manager found" >&2
                exit 1
              fi
            }

            install_ccache() {
              # 1) Try package manager
              if command -v dnf >/devnull 2>&1; then dnf -y install ccache || true; fi
              if command -v yum >/devnull 2>&1; then yum -y install ccache || true; fi
              if command -v microdnf >/devnull 2>&1; then microdnf -y install ccache || true; fi
              if command -v apt-get >/devnull 2>&1; then apt-get install -y --no-install-recommends ccache || true; fi
              if command -v ccache >/dev/null 2>&1; then return 0; fi

              # 2) Try official prebuilt tarball
              ver="4.11.3"
              arch="$(uname -m)"
              url="https://github.com/ccache/ccache/releases/download/v${ver}/ccache-${ver}-linux-${arch}.tar.xz"
              if curl -fsSL "$url" -o /tmp/ccache.tar.xz; then
                mkdir -p /usr/local/ccache
                tar -xJf /tmp/ccache.tar.xz -C /usr/local/ccache --strip-components=1
                ln -sf /usr/local/ccache/bin/ccache /usr/local/bin/ccache
              fi
              if command -v ccache >/dev/null 2>&1; then return 0; fi

              # 3) Build from source with CMake (last resort)
              src="4.11.3"
              tmpd="$(mktemp -d)"
              curl -fsSL "https://github.com/ccache/ccache/releases/download/v${src}/ccache-${src}.tar.gz" -o "${tmpd}/ccache.tar.gz"
              tar -xzf "${tmpd}/ccache.tar.gz" -C "${tmpd}"
              cmake -S "${tmpd}/ccache-${src}" -B "${tmpd}/build" -DCMAKE_BUILD_TYPE=Release
              cmake --build "${tmpd}/build" -j"$(nproc)"
              cmake --install "${tmpd}/build"
              ln -sf /usr/local/bin/ccache /usr/local/ccache/bin/ccache || true
            }

            pm_install
            install_ccache
            command -v ccache >/dev/null || { echo "ccache still missing"; exit 1; }

          CIBW_ENVIRONMENT_LINUX: >
            CC=gcc
            CXX=g++
            CCACHE_DIR=/project/.ccache
            CMAKE_ARGS="-G Ninja -DHF_USE_OPENMP=ON -DHF_USE_FFTW_THREADS=ON -DBOOST_INCLUDEDIR=/usr/include -DCMAKE_CXX_COMPILER_LAUNCHER=ccache"
            CMAKE_BUILD_PARALLEL_LEVEL=$(nproc)

          CIBW_REPAIR_WHEEL_COMMAND_LINUX: >
            bash -lc 'auditwheel repair -w {dest_dir} {wheel}'

          CIBW_TEST_REQUIRES: numpy
          CIBW_TEST_COMMAND: |
            python - <<'PY'
            import numpy as np, cpp_hf
            nk,d=4,2
            w=np.ones((nk,nk))*((2/nk)*(2/nk)/(2*np.pi)**2)
            H=np.zeros((nk,nk,d,d),np.complex128)
            K=np.linspace(-1,1,nk)
            V=(1.0/np.sqrt((K[:,None]**2+K[None,:]**2)+0.2)).astype(np.complex128)[...,None,None]
            P0=np.zeros_like(H)
            ne=0.5*d*w.sum()
            P,F,E,mu,n=cpp_hf.hartreefock_iteration_cpp(w,H,V,P0,ne,0.2,1,1e-2,2,1.0)
            print("wheel ok", int(n), float(mu))
            PY

      - name: Upload Linux ${{ matrix.arch }} wheels
        uses: actions/upload-artifact@v4
        with:
          name: dist-wheels-linux-${{ matrix.arch }}
          path: wheelhouse/*
          if-no-files-found: error

  # ----- macOS (Intel/Apple Silicon) -----
  wheels-macos:
    name: Build macOS wheels (Intel/Apple Silicon)
    strategy:
      fail-fast: false
      matrix:
        runner: [macos-13, macos-14]
    runs-on: ${{ matrix.runner }}
    env:
      MACOSX_DEPLOYMENT_TARGET: ${{ matrix.runner == 'macos-14' && '14.0' || '13.0' }}
    permissions:
      contents: read
    steps:
      - uses: actions/checkout@v4
        with:
          fetch-depth: 0

      - name: Install Homebrew deps
        env:
          HOMEBREW_NO_AUTO_UPDATE: "1"
        run: |
          rm -f "$HOME/Library/Caches/Homebrew/downloads/"*libomp* || true
          brew install fftw libomp boost cmake ninja || true

      - name: Build wheels with cibuildwheel
        uses: pypa/cibuildwheel@v2.21.3
        env:
          CIBW_BUILD: cp310-* cp311-* cp312-*
          CIBW_SKIP: pp*
          CIBW_ARCHS_MACOS: native
          CIBW_ENVIRONMENT_MACOS: >
            PKG_CONFIG_PATH=/opt/homebrew/lib/pkgconfig:/usr/local/lib/pkgconfig
            CMAKE_ARGS="-DHF_USE_OPENMP=ON -DHF_USE_FFTW_THREADS=ON -DCMAKE_OSX_DEPLOYMENT_TARGET=${MACOSX_DEPLOYMENT_TARGET}"
          CIBW_REPAIR_WHEEL_COMMAND_MACOS: >
            bash -lc 'delocate-listdeps -d {wheel} || true; MACOSX_DEPLOYMENT_TARGET=${MACOSX_DEPLOYMENT_TARGET} delocate-wheel -L /opt/homebrew/lib -L /usr/local/lib --require-archs {delocate_archs} -w {dest_dir} -v {wheel}'
          CIBW_TEST_REQUIRES: numpy
          CIBW_TEST_COMMAND: |
            python - <<'PY'
            import numpy as np, cpp_hf
            nk,d=4,2
            w=np.ones((nk,nk))*((2/nk)*(2/nk)/(2*np.pi)**2)
            H=np.zeros((nk,nk,d,d),np.complex128)
            K=np.linspace(-1,1,nk)
            V=(1.0/np.sqrt((K[:,None]**2+K[None,:]**2)+0.2)).astype(np.complex128)[...,None,None]
            P0=np.zeros_like(H)
            ne=0.5*d*w.sum()
            P,F,E,mu,n=cpp_hf.hartreefock_iteration_cpp(w,H,V,P0,ne,0.2,1,1e-2,2,1.0)
            print("wheel ok", int(n), float(mu))
            PY

      - name: Upload macOS wheels
        uses: actions/upload-artifact@v4
        with:
          name: dist-wheels-${{ matrix.runner }}
          path: wheelhouse/*
          if-no-files-found: error

  # ----- Publish to PyPI -----
  publish:
    name: Publish to PyPI
    needs: [sdist, wheels-linux, wheels-macos]
    runs-on: ubuntu-latest
    environment: cpp_hf_env
    permissions:
      contents: read
      id-token: write
    steps:
      - name: Download all artifacts
        uses: actions/download-artifact@v4
        with:
          pattern: dist-*
          merge-multiple: true
          path: dist

      - name: Publish to PyPI via OIDC (Trusted Publisher)
        if: startsWith(github.ref, 'refs/tags/v')
        uses: pypa/gh-action-pypi-publish@release/v1
        with:
          packages-dir: dist/