Merge pull request #195 from agseaton/add_pyproject_toml

Add pyproject.toml file

CMakeLists.txt

@@ -151,13 +151,25 @@ endif()
 if(heyoka_WITH_REAL AND ${Python3_NumPy_VERSION} LESS 1.22)
     message(FATAL_ERROR "The minimum version of NumPy required for supporting arbitrary-precision computations is 1.22, but version ${Python3_NumPy_VERSION} was found instead")
 endif()
-# Extract the major.minor version of NumPy for use in the wheel configuration.
-string(REGEX MATCH "([0-9]+)\.([0-9]+)" _HEYOKA_PY_NPY_MAJOR_MINOR ${Python3_NumPy_VERSION})
-message(STATUS "NumPy major.minor version: ${_HEYOKA_PY_NPY_MAJOR_MINOR}")
+# NOTE: NumPy 2 not supported yet if we are building with support
+# for mppp::real or mppp::real128.
+if((heyoka_WITH_REAL OR heyoka_WITH_REAL128) AND ${Python3_NumPy_VERSION} VERSION_GREATER_EQUAL 2)
+    message(FATAL_ERROR "NumPy 2 is not supported when building with support for quadruple-precision or arbitrary-precision computations")
+endif()
+message(STATUS "NumPy version: ${Python3_NumPy_VERSION}")
+unset(_HEYOKA_PY_PYTHON3_COMPONENTS)
+
+if (DEFINED SKBUILD)
+    # If we're using scikit-build-core, set install path to the current
+    # directory since skbuild will be handling the installation.
+    set(HEYOKA_PY_INSTALL_PATH "." CACHE STRING "heyoka module installation path")
 
-set(HEYOKA_PY_INSTALL_PATH "" CACHE STRING "heyoka module installation path")
+    # Also ensure shared libraries can be found in RPATH.
+    set(CMAKE_INSTALL_RPATH_USE_LINK_PATH ON)
+else()
+    set(HEYOKA_PY_INSTALL_PATH "" CACHE STRING "heyoka module installation path")
+endif()
 mark_as_advanced(HEYOKA_PY_INSTALL_PATH)
-unset(_HEYOKA_PY_PYTHON3_COMPONENTS)
 
 # pybind11.
 find_package(pybind11 REQUIRED CONFIG)
@@ -194,6 +206,3 @@ endif()
 
 # Add the module directory.
 add_subdirectory(heyoka)
-
-# Cleanup.
-unset(_HEYOKA_PY_NPY_MAJOR_MINOR)

doc/changelog.rst

@@ -6,9 +6,18 @@ Changelog
 6.1.0 (unreleased)
 ------------------
 
+New
+~~~
+
+- Add a proper ``pyproject.toml`` file and use it to produce
+  the binary wheels
+  (`#195 <https://github.com/bluescarni/heyoka.py/pull/195>`__).
+
 Fix
 ~~~
 
+- Do not open the heyoka.py compiled module with ``RTLD_GLOBAL``
+  (`#197 <https://github.com/bluescarni/heyoka.py/pull/197>`__).
 - Workaround for a clang 17 issue that would result in
   runtime exceptions during (de)serialisation
   (`#196 <https://github.com/bluescarni/heyoka.py/pull/196>`__).

heyoka/CMakeLists.txt

@@ -1,13 +1,6 @@
 # Configure the version file.
 configure_file("${CMAKE_CURRENT_SOURCE_DIR}/_version.py.in" "${CMAKE_CURRENT_BINARY_DIR}/_version.py" @ONLY)
 
-# Configure the files needed to make the python wheels (for PyPI packages).
-if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
-    message(STATUS "Creating the files for the generation of a binary wheel.")
-    configure_file("${CMAKE_CURRENT_SOURCE_DIR}/../tools/wheel_setup.py" "${CMAKE_CURRENT_BINARY_DIR}/../wheel/setup.py" @ONLY)
-    configure_file("${CMAKE_CURRENT_SOURCE_DIR}/../tools/wheel_setup.cfg" "${CMAKE_CURRENT_BINARY_DIR}/../wheel/setup.cfg" @ONLY)
-endif()
-
 # The list of heyoka.py's Python files.
 set(HEYOKA_PY_PYTHON_FILES
     __init__.py

pyproject.toml

@@ -0,0 +1,46 @@
+[build-system]
+build-backend = 'scikit_build_core.build'
+requires = ['scikit-build-core', 'numpy >= 1.22, < 2']
+
+[project]
+name = 'heyoka'
+version = '6.1.0'
+description = "Python library for ODE integration via Taylor's method and LLVM"
+readme = 'README.md'
+requires-python = '>=3.5'
+dependencies = ['cloudpickle', 'numpy >= 1.22, < 2']
+authors = [
+    { name = 'Francesco Biscarni', email = '[email protected]' },
+    { name = 'Dario Izzo' },
+]
+license = { text = 'MPL-2.0' }
+classifiers = [
+    # How mature is this project? Common values are
+    #   3 - Alpha
+    #   4 - Beta
+    #   5 - Production/Stable
+    "Development Status :: 5 - Production/Stable",
+    "Operating System :: OS Independent",
+    "Intended Audience :: Science/Research",
+    "Topic :: Scientific/Engineering",
+    "Topic :: Scientific/Engineering :: Mathematics",
+    "Topic :: Scientific/Engineering :: Physics",
+    "License :: OSI Approved :: Mozilla Public License 2.0 (MPL 2.0)",
+    "Programming Language :: Python :: 3",
+]
+keywords = ['science', 'math', 'physics', 'ode']
+
+[project.urls]
+Documentation = "https://bluescarni.github.io/heyoka.py/index.html"
+Repository = "https://github.com/bluescarni/heyoka.py"
+
+[project.optional-dependencies]
+sympy = ["sympy", "mpmath"]
+sgp4 = ["skyfield"]
+
+[tool.scikit-build]
+# Avoid copying the C++ source files when building
+# binary wheels.
+wheel.packages = []
+# Enable IPO.
+cmake.define.HEYOKA_PY_ENABLE_IPO = "ON"

tools/gha_manylinux.sh

@@ -15,7 +15,7 @@ git config --global --add safe.directory ${GITHUB_WORKSPACE}
 BRANCH_NAME=`git rev-parse --abbrev-ref HEAD`
 echo "BRANCH_NAME: ${BRANCH_NAME}"
 
-# Read for what python wheels have to be built.
+# Detect the Python version.
 if [[ ${HEYOKA_PY_BUILD_TYPE} == *38* ]]; then
 	PYTHON_DIR="cp38-cp38"
 elif [[ ${HEYOKA_PY_BUILD_TYPE} == *39* ]]; then
@@ -33,16 +33,9 @@ else
 	exit 1
 fi
 
-# Report the inferred directory whwere python is found.
+# Report the inferred directory where python is found.
 echo "PYTHON_DIR: ${PYTHON_DIR}"
 
-# The numpy version heyoka.py will be built against.
-if [[ ${HEYOKA_PY_BUILD_TYPE} == *312* || ${HEYOKA_PY_BUILD_TYPE} == *313* ]]; then
-	export NUMPY_VERSION="1.26.*"
-else
-	export NUMPY_VERSION="1.24.*"
-fi
-
 # The heyoka version to be used for releases.
 export HEYOKA_VERSION_RELEASE="6.1.0"
 
@@ -54,15 +47,7 @@ else
 	echo "Non-tag build detected"
 fi
 
-# Python mandatory deps.
-# NOTE: explicit installation of setuptools is apparently
-# needed in Python 3.13.
-/opt/python/${PYTHON_DIR}/bin/pip install numpy==${NUMPY_VERSION} cloudpickle setuptools
-# Python optional deps.
-/opt/python/${PYTHON_DIR}/bin/pip install sympy mpmath skyfield
-
-# In the pagmo2/manylinux2014_x86_64_with_deps:latest image in dockerhub
-# the working directory is /root/install, we will install heyoka there.
+# In the manylinux image in dockerhub the working directory is /root/install, we will install heyoka there.
 cd /root/install
 
 # Install heyoka.
@@ -85,30 +70,19 @@ cmake -DHEYOKA_WITH_MPPP=yes \
     -DCMAKE_BUILD_TYPE=Release ../;
 make -j4 install
 
-# Install heyoka.py.
+# Build the heyoka.py wheel.
 cd ${GITHUB_WORKSPACE}
-mkdir build
-cd build
-cmake -DCMAKE_BUILD_TYPE=Release \
-	-DHEYOKA_PY_ENABLE_IPO=ON \
-	-DPython3_EXECUTABLE=/opt/python/${PYTHON_DIR}/bin/python ../;
-make -j4 install
-
-# Making the wheel and installing it
-cd wheel
-# Move the installed heyoka.py files into the current dir.
-mv `/opt/python/${PYTHON_DIR}/bin/python -c 'import site; print(site.getsitepackages()[0])'`/heyoka ./
-# Create the wheel and repair it.
+/opt/python/${PYTHON_DIR}/bin/pip wheel . -v
+# Repair it.
 # NOTE: this is temporary because some libraries in the docker
 # image are installed in lib64 rather than lib and they are
 # not picked up properly by the linker.
 export LD_LIBRARY_PATH="/usr/local/lib64:/usr/local/lib"
-/opt/python/${PYTHON_DIR}/bin/python setup.py bdist_wheel
-auditwheel repair dist/heyoka* -w ./dist2
+auditwheel repair ./heyoka*.whl -w ./repaired_wheel
 # Try to install it and run the tests.
 unset LD_LIBRARY_PATH
 cd /
-/opt/python/${PYTHON_DIR}/bin/pip install ${GITHUB_WORKSPACE}/build/wheel/dist2/heyoka*
+/opt/python/${PYTHON_DIR}/bin/pip install ${GITHUB_WORKSPACE}/repaired_wheel/heyoka*
 cd ${GITHUB_WORKSPACE}/tools
 /opt/python/${PYTHON_DIR}/bin/python ci_test_runner.py
 cd /