Implement C++ extension to have one-sided SVD calculations

Author: JanLuca

.github/workflows/release.yml

@@ -6,41 +6,79 @@
 # separate terms of service, privacy policy, and support
 # documentation.
 
-name: Upload Python Package
+name: Build and upload Python Package
 
 on:
+  workflow_dispatch:
+  pull_request:
+  push:
+    branches:
+      - main
   release:
-    types: [published]
+    types:
+      - published
 
 permissions:
   contents: read
 
 jobs:
-  build:
-    name: Build distribution
-    runs-on: ubuntu-latest
+  build_wheels:
+    name: Build wheels for ${{ matrix.os }}
+    runs-on: ${{ matrix.runs-on }}
+    strategy:
+      matrix:
+        os: [ linux-intel, linux-arm, windows, macOS-intel, macOS-arm, iOS, pyodide ]
+        include:
+          - archs: auto
+            platform: auto
+          - os: linux-intel
+            runs-on: ubuntu-latest
+          - os: linux-arm
+            runs-on: ubuntu-24.04-arm
+          - os: windows
+            runs-on: windows-latest
+          - os: macos-intel
+            # macos-13 was the last x86_64 runner
+            runs-on: macos-13
+          - os: macos-arm
+            # macos-14+ (including latest) are ARM64 runners
+            runs-on: macos-latest
+            archs: auto,universal2
 
     steps:
     - uses: actions/checkout@v4
-    - name: Set up Python
-      uses: actions/setup-python@v5
-      with:
-        python-version: "3.x"
-    - name: Install pypa/build
-      run: python3 -m pip install build --user
-    - name: Build a binary wheel and a source tarball
-      run: python3 -m build
-    - name: Store the distribution packages
-      uses: actions/upload-artifact@v4
-      with:
-        name: python-package-distributions
-        path: dist/
+
+    - name: Build wheels
+        uses: pypa/cibuildwheel@@v2.23.3
+        env:
+          CIBW_PLATFORM: ${{ matrix.platform }}
+          CIBW_ARCHS: ${{ matrix.archs }}
+
+    - uses: actions/upload-artifact@v4
+        with:
+          name: cibw-wheels-${{ matrix.os }}-${{ strategy.job-index }}
+          path: ./wheelhouse/*.whl
+
+  build_sdist:
+    name: Build source distribution
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Build sdist
+        run: pipx run build --sdist
+
+      - uses: actions/upload-artifact@v4
+        with:
+          name: cibw-sdist
+          path: dist/*.tar.gz
 
   publish-to-pypi:
     name: Publish Python distribution to PyPI
     if: startsWith(github.ref, 'refs/tags/')  # only publish to PyPI on tag pushes
     needs:
-    - build
+    - build_wheels
+    - build_sdist
     runs-on: ubuntu-latest
     environment: release
     permissions:
@@ -49,7 +87,8 @@ jobs:
     - name: Download the dist file
       uses: actions/download-artifact@v4
       with:
-        name: python-package-distributions
-        path: dist/
+        pattern: cibw-*
+        path: dist
+        merge-multiple: true
     - name: Publish distribution to PyPI
       uses: pypa/gh-action-pypi-publish@release/v1

CMakeLists.txt

@@ -0,0 +1,53 @@
+# Set the minimum CMake version and policies for highest tested version
+cmake_minimum_required(VERSION 3.15...3.27)
+
+# Set default build type in CMake if skbuild is set
+message(STATUS "CMAKE_BUILD_TYPE set to '${CMAKE_BUILD_TYPE}'")
+
+# Set up the project and ensure there is a working C++ compiler
+project(varipeps_extensions LANGUAGES CXX)
+
+# Try to import all Python components potentially needed by nanobind
+find_package(Python 3.10
+  REQUIRED COMPONENTS Interpreter Development.Module
+  OPTIONAL_COMPONENTS Development.SABIModule)
+
+# Import nanobind through CMake's find_package mechanism
+execute_process(
+  COMMAND /usr/bin/env python3 -m nanobind --cmake_dir
+  OUTPUT_STRIP_TRAILING_WHITESPACE OUTPUT_VARIABLE nanobind_ROOT)
+find_package(nanobind CONFIG REQUIRED)
+
+# Find jaxlib include dir
+execute_process(
+  COMMAND /usr/bin/env python3 -c "import inspect; import jaxlib; import pathlib; p = pathlib.Path(inspect.getfile(jaxlib)); print(p.parent / 'include')"
+  OUTPUT_STRIP_TRAILING_WHITESPACE OUTPUT_VARIABLE jaxlib_INCLUDE_DIR)
+
+# We are now ready to compile the actual extension module
+nanobind_add_module(
+  # Name of the extension
+  _svd_only_vt
+
+  # Target the stable ABI for Python 3.12+, which reduces
+  # the number of binary wheels that must be built. This
+  # does nothing on older Python versions
+  STABLE_ABI
+
+  # Build libnanobind statically and merge it into the
+  # extension (which itself remains a shared library)
+  #
+  # If your project builds multiple extensions, you can
+  # replace this flag by NB_SHARED to conserve space by
+  # reusing a shared libnanobind across libraries
+  NB_STATIC
+
+  # Source code goes here
+  varipeps/utils/extensions/svd_ffi.cpp
+)
+
+target_include_directories(_svd_only_vt PRIVATE "${jaxlib_INCLUDE_DIR}")
+
+target_link_libraries(_svd_only_vt PRIVATE lapack)
+
+# Install directive for scikit-build-core
+install(TARGETS _svd_only_vt LIBRARY DESTINATION varipeps/utils/extensions)

pyproject.toml

@@ -50,5 +50,17 @@ dev = [
 ]
 
 [build-system]
-requires = ["hatchling"]
+requires = ["hatchling", "scikit-build-core>=0.11.0", "nanobind>=2.7.0", "jaxlib>=0.5.3"]
 build-backend = "hatchling.build"
+
+[tool.scikit-build]
+# Protect the configuration against future changes in scikit-build-core
+minimum-version = "build-system.requires"
+# Setuptools-style build caching in a local directory
+build-dir = "build/{wheel_tag}"
+
+[tool.scikit-build.cmake]
+build-type = "Release"
+
+[tool.hatch.build.targets.wheel.hooks.scikit-build]
+experimental = true