Add cibuildwheel configuration for PyPI wheel builds

.github/workflows/wheels.yml

@@ -0,0 +1,137 @@
+name: Build Wheels
+
+on:
+  workflow_dispatch:
+    inputs:
+      publish_testpypi:
+        description: 'Publish to TestPyPI'
+        type: boolean
+        default: false
+  push:
+    tags:
+      - "v*"
+  pull_request:
+    branches: [master]
+    paths:
+      - ".github/workflows/wheels.yml"
+
+permissions:
+  contents: read
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+jobs:
+  # =========================================================================
+  # Build source distribution
+  # =========================================================================
+  build_sdist:
+    name: Build source distribution
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - uses: astral-sh/setup-uv@v7
+
+      - name: Build sdist
+        run: uvx --from build pyproject-build --sdist
+
+      - uses: actions/upload-artifact@v5
+        with:
+          name: cibw-sdist
+          path: dist/*.tar.gz
+
+  # =========================================================================
+  # Build wheels on all platforms
+  # =========================================================================
+  build_wheels:
+    name: Wheels on ${{ matrix.os }} (${{ matrix.cibw_archs }})
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        include:
+          # Linux x86_64
+          - os: ubuntu-latest
+            cibw_archs: "x86_64"
+
+          # Linux aarch64 (native ARM runner)
+          - os: ubuntu-24.04-arm
+            cibw_archs: "aarch64"
+
+          # macOS Apple Silicon only
+          - os: macos-latest
+            cibw_archs: "arm64"
+
+          # Windows x64
+          - os: windows-latest
+            cibw_archs: "AMD64"
+
+    steps:
+      - uses: actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Build wheels
+        uses: pypa/cibuildwheel@v3.3
+        env:
+          CIBW_ARCHS: ${{ matrix.cibw_archs }}
+
+      - uses: actions/upload-artifact@v5
+        with:
+          name: cibw-wheels-${{ matrix.os }}-${{ matrix.cibw_archs }}
+          path: ./wheelhouse/*.whl
+
+  # =========================================================================
+  # Publish to TestPyPI (manual trigger)
+  # =========================================================================
+  publish_testpypi:
+    name: Publish to TestPyPI
+    needs: [build_sdist, build_wheels]
+    runs-on: ubuntu-latest
+    if: github.event_name == 'workflow_dispatch' && github.event.inputs.publish_testpypi == 'true'
+    environment:
+      name: testpypi
+      url: https://test.pypi.org/p/simcoon
+    permissions:
+      id-token: write
+
+    steps:
+      - uses: actions/download-artifact@v6
+        with:
+          pattern: cibw-*
+          path: dist
+          merge-multiple: true
+
+      - uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          repository-url: https://test.pypi.org/legacy/
+
+  # =========================================================================
+  # Publish to PyPI (release tags only)
+  # =========================================================================
+  publish_pypi:
+    name: Publish to PyPI
+    needs: [build_sdist, build_wheels]
+    runs-on: ubuntu-latest
+    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
+    environment:
+      name: pypi
+      url: https://pypi.org/p/simcoon
+    permissions:
+      id-token: write
+
+    steps:
+      - uses: actions/download-artifact@v6
+        with:
+          pattern: cibw-*
+          path: dist
+          merge-multiple: true
+
+      - name: Display artifacts
+        run: ls -la dist/
+
+      - uses: pypa/gh-action-pypi-publish@release/v1

CMakeLists.txt

@@ -173,7 +173,7 @@ set_target_properties(dylib PROPERTIES UNITY_BUILD OFF)
 
 # Python dependencies (only if building Python bindings)
 if(BUILD_PYTHON_BINDINGS)
-  find_package(Python3 COMPONENTS Interpreter Development NumPy REQUIRED)
+  find_package(Python3 COMPONENTS Interpreter Development.Module NumPy REQUIRED)
   find_package(pybind11 REQUIRED)
 
   # Try to find carma from conda/system first

pyproject.toml

@@ -110,4 +110,82 @@ addopts = "-v --tb=short"
 # Requires build dependencies to be installed first: scikit-build-core, pybind11, numpy
 no-build-isolation-package = ["simcoon"]
 
+# =============================================================================
+# cibuildwheel configuration
+# =============================================================================
+
+[tool.cibuildwheel]
+# Build for CPython 3.10-3.14
+build = "cp310-* cp311-* cp312-* cp313-* cp314-*"
+
+# Skip unsupported configurations
+skip = [
+    "*-musllinux*",      # musl libc: complex C++ deps don't support musl
+    "pp*",               # PyPy: pybind11/numpy compatibility issues
+    "*-win32",           # 32-bit Windows: not supported
+    "*_i686",            # 32-bit Linux: not supported
+    "*-macosx_x86_64",   # macOS Intel: not supported
+]
+
+# Build verbosity
+build-verbosity = 1
+
+# Test configuration
+test-requires = ["pytest>=7.0", "numpy>=2.0"]
+test-command = "pytest {project}/simcoon-python-builder/test -v --tb=short"
+
+# -----------------------------------------------------------------------------
+# Linux configuration
+# -----------------------------------------------------------------------------
+
+[tool.cibuildwheel.linux]
+# Use manylinux_2_28 for C++20 compiler support (GCC 12+) and newer tools
+manylinux-x86_64-image = "manylinux_2_28"
+manylinux-aarch64-image = "manylinux_2_28"
+
+# Install dependencies before build
+before-all = [
+    "dnf install -y epel-release",
+    "dnf install -y cmake ninja-build openblas-devel lapack-devel wget",
+    # Build Armadillo from source (manylinux packages are too old)
+    "wget -q https://sourceforge.net/projects/arma/files/armadillo-14.0.2.tar.xz",
+    "tar -xf armadillo-14.0.2.tar.xz",
+    "cd armadillo-14.0.2 && cmake -S . -B build -DCMAKE_INSTALL_PREFIX=/usr/local -DDETECT_HDF5=OFF -DBUILD_SHARED_LIBS=ON && cmake --build build && cmake --install build",
+]
+
+# Environment for finding installed dependencies
+environment = { CMAKE_PREFIX_PATH = "/usr/local", LD_LIBRARY_PATH = "/usr/local/lib:/usr/local/lib64" }
+
+# auditwheel bundles shared libraries
+repair-wheel-command = "auditwheel repair -w {dest_dir} {wheel}"
+
+# -----------------------------------------------------------------------------
+# macOS configuration (arm64 only)
+# -----------------------------------------------------------------------------
+
+[tool.cibuildwheel.macos]
+# Install dependencies via Homebrew
+before-all = "brew install armadillo openblas ninja"
+
+# Build for arm64 only (native on Apple Silicon runners)
+archs = ["arm64"]
+
+# Deployment target (must match Homebrew library targets)
+environment = { MACOSX_DEPLOYMENT_TARGET = "15.0" }
+
+# delocate bundles shared libraries
+repair-wheel-command = "delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
+
+# -----------------------------------------------------------------------------
+# Windows configuration
+# -----------------------------------------------------------------------------
+
+[tool.cibuildwheel.windows]
+# Install dependencies via vcpkg
+before-all = "vcpkg install armadillo:x64-windows openblas:x64-windows"
+
+# Point CMake to vcpkg (use forward slashes for TOML compatibility)
+environment = { CMAKE_TOOLCHAIN_FILE = "C:/vcpkg/scripts/buildsystems/vcpkg.cmake" }
 
+# Skip wheel repair - CMake installs all needed DLLs directly into the wheel
+repair-wheel-command = ""