Automatic wheels building for PyPI

.github/workflows/publish.yml

@@ -1,35 +1,85 @@
-name: Upload to PyPI
+name: Build and publish to PyPI
 
 on:
   release:
     types: [published]
+  workflow_dispatch:
 
 jobs:
-  Upload:
+  build_wheels:
+    name: Build wheels on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        include:
+          - os: ubuntu-latest
+            cibw_archs: x86_64
+          - os: macos-latest
+            cibw_archs: arm64
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+
+      - name: Build wheels
+        uses: pypa/cibuildwheel@v3.3.1
+        env:
+          CIBW_ARCHS: ${{ matrix.cibw_archs }}
+
+      - name: Upload wheels
+        uses: actions/upload-artifact@v4
+        with:
+          name: cibw-wheels-${{ matrix.os }}-${{ matrix.cibw_archs }}
+          path: ./wheelhouse/*.whl
+
+  build_sdist:
+    name: Build source distribution
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+
+      - name: Setup Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.10"
+
+      - name: Install build dependencies
+        run: python -m pip install --upgrade pip build
+
+      - name: Build sdist
+        run: python -m build --sdist
+
+      - name: Upload sdist
+        uses: actions/upload-artifact@v4
+        with:
+          name: cibw-sdist
+          path: dist/*.tar.gz
+
+  publish:
+    name: Publish to PyPI
+    needs: [build_wheels, build_sdist]
     runs-on: ubuntu-latest
+    if: github.event_name == 'release'
     permissions:
       contents: read
-      id-token: write  # Required for trusted publishing
+      id-token: write
 
     steps:
-    - name: Checkout repository
-      uses: actions/checkout@v4
-
-    - name: Setup python
-      uses: actions/setup-python@v5
-      with:
-        python-version: '3.10'
-
-    - name: Install build dependencies
-      run: |
-        python -m pip install --upgrade pip
-        python -m pip install build
-
-    - name: Build source tarball only
-      run: |
-        python -m build --sdist
-
-    - name: Publish to PyPI
-      uses: pypa/gh-action-pypi-publish@release/v1
-      with:
-        password: ${{ secrets.PYPI_PYCCL_UPLOAD }}
+      - name: Download all artifacts
+        uses: actions/download-artifact@v4
+        with:
+          pattern: cibw-*
+          path: dist
+          merge-multiple: true
+
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          password: ${{ secrets.PYPI_PYCCL_UPLOAD }}

cmake/Modules/BuildFFTW.cmake

@@ -11,7 +11,7 @@ if(NOT FFTW_FOUND )
     ExternalProject_Add(FFTW
         PREFIX FFTW
         URL http://www.fftw.org/fftw-${FFTWVersion}.tar.gz
-        URL_MD5 ${GSLMD5}
+        URL_MD5 ${FFTWMD5}
         DOWNLOAD_NO_PROGRESS 1
         CONFIGURE_COMMAND ./configure --prefix=${CMAKE_BINARY_DIR}/extern --enable-shared=no --with-pic=yes
         BUILD_COMMAND           make -j8

cmake/Modules/FindPythonLibsNew.cmake

@@ -74,12 +74,12 @@ endif()
 # The library suffix is from the config var LDVERSION sometimes, otherwise
 # VERSION. VERSION will typically be like "2.7" on unix, and "27" on windows.
 execute_process(COMMAND "${PYTHON_EXECUTABLE}" "-c"
-    "from distutils import sysconfig as s;import sys;import struct;
+    "import sysconfig as s;import sys;import struct;
 print('.'.join(str(v) for v in sys.version_info));
 print(sys.prefix);
-print(s.get_python_inc(plat_specific=True));
-print(s.get_python_lib(plat_specific=True));
-print(s.get_config_var('SO'));
+print(s.get_path('platinclude'));
+print(s.get_path('platlib'));
+print(s.get_config_var('EXT_SUFFIX') or s.get_config_var('SO') or '');
 print(hasattr(sys, 'gettotalrefcount')+0);
 print(struct.calcsize('@P'));
 print(s.get_config_var('LDVERSION') or s.get_config_var('VERSION'));

pyccl/CMakeLists.txt

@@ -29,14 +29,12 @@ else()
 endif()
 swig_link_libraries(ccllib ccl_static)
 
+# SWIG>=4.4 triggers int-conversion warning/error while calling numpy's import_array()
+# GCC 14+ and Clang both treat this as an error.
+target_compile_options(${SWIG_MODULE_ccllib_REAL_NAME} PRIVATE "-Wno-error=int-conversion")
+
 if(APPLE)
-    # SWIG>=4.4 triggers int-conversion warning/error while calling numpy's import_array()
-    # GCC seems to be raising warnings but clang raises an error, instead.
-    # We make clang to treat them as warnings with next line.
-    target_compile_options(${SWIG_MODULE_ccllib_REAL_NAME} PRIVATE "-Wno-error=int-conversion")
-    # Unpleasant subtelty for linking on osx
+    # On macOS, allow undefined symbols to be resolved at runtime by the Python interpreter.
     set_target_properties(${SWIG_MODULE_ccllib_REAL_NAME} PROPERTIES LINK_FLAGS "-undefined dynamic_lookup")
-else(APPLE)
-    swig_link_libraries(ccllib ${PYTHON_LIBRARIES})
 endif()
 set_target_properties(${SWIG_MODULE_ccllib_REAL_NAME} PROPERTIES SUFFIX .so)

pyproject.toml

@@ -25,7 +25,7 @@ classifiers = [
     "Topic :: Scientific/Engineering :: Physics",
 ]
 dependencies = [
-    "numpy",
+    "numpy>=2.0",
     "packaging",
     "scipy",
     "pyyaml",
@@ -37,10 +37,7 @@ documentation = "https://ccl.readthedocs.io/en/latest/"
 repository = "https://github.com/LSSTDESC/CCL"
 
 [project.optional-dependencies]
-dev = [
-    "pytest",
-    "pytest-cov",
-]
+dev = ["pytest", "pytest-cov"]
 
 [tool.setuptools.packages.find]
 include = ["pyccl*"]
@@ -49,3 +46,16 @@ include = ["pyccl*"]
 pyccl = ["_ccllib.so", "emulators/data/*.npz"]
 
 [tool.setuptools_scm]
+
+[tool.cibuildwheel]
+build = "cp310-* cp311-* cp312-* cp313-* cp314-*"
+skip = "pp* *-musllinux_* *-win* *-manylinux_i686 *-manylinux_s390x *-manylinux_ppc64le"
+test-command = "python -c \"import pyccl; print(pyccl.__version__)\""
+
+[tool.cibuildwheel.linux]
+manylinux-x86_64-image = "manylinux_2_28"
+manylinux-aarch64-image = "manylinux_2_28"
+before-all = "dnf install -y pcre-devel automake autoconf libtool bison"
+
+[tool.cibuildwheel.macos]
+environment = { MACOSX_DEPLOYMENT_TARGET = "11.0" }

setup.py

@@ -1,4 +1,5 @@
 import os
+import shutil
 import sys
 from subprocess import call
 
@@ -9,10 +10,15 @@
 
 
 def _compile_ccl(debug=False):
-    call(["mkdir", "-p", "build"])
+    # Clean stale CMake cache to avoid cross-version contamination
+    # (e.g. when cibuildwheel builds multiple Python versions sequentially).
+    if os.path.exists("build/CMakeCache.txt"):
+        shutil.rmtree("build")
+    os.makedirs("build", exist_ok=True)
     v = sys.version_info
     cmd = ["cmake", "-H.", "-Bbuild",
-           "-DPYTHON_VERSION=%d.%d.%d" % (v.major, v.minor, v.micro)]
+           "-DPYTHON_VERSION=%d.%d.%d" % (v.major, v.minor, v.micro),
+           "-DPYTHON_EXECUTABLE=%s" % sys.executable]
     if debug:
         cmd += ["-DCMAKE_BUILD_TYPE=Debug"]
     if call(cmd) != 0:
@@ -45,6 +51,9 @@ def __init__(self, attr=None):
         self.debug = False
         super().__init__(attr)
 
+    def has_ext_modules(self):
+        return True
+
 
 class Build(_build):
     """Specialized Python source builder."""