Jump all the way to scikit-build-core

cpp/CMakeLists.txt → CMakeLists.txt

@@ -4,12 +4,6 @@ project(KineticGas LANGUAGES C CXX)
 
 SET(CMAKE_CXX_STANDARD 17)
 
-cmake_minimum_required(VERSION 3.12)
-set(PYBIND11_PYTHON_VERSION "3")
-string(ASCII 27 Esc)
-message("${Esc}[34mPYBIND11_PYTHON_VERSION is : ${PYBIND11_PYTHON_VERSION}")
-message("${Esc}[34mPYTHON_EXECUTABLE is : ${PYTHON_EXECUTABLE}")
-
 if(NOT MSVC)
   # set(CMAKE_CXX_COMPILER /usr/bin/g++) # Setting these can, on some systems, cause cmake to go into an infinite loop (see: build.sh to set the compiler)
   # set(CMAKE_C_COMPILER /usr/bin/gcc) # Setting these can, on some systems, cause cmake to go into an infinite loop (see: build.sh to set the compiler)
@@ -22,8 +16,8 @@ if(NOT MSVC)
   set(CMAKE_CXX_FLAGS_DEBUG "-g -O0 -DDEBUG -Wno-unused-parameter -Wno-unused-const-variable")
 endif(NOT MSVC)
 
-set(SOURCES KineticGas.cpp KineticGas_mthr.cpp Spherical.cpp MieKinGas.cpp
-            Integration/Integration.cpp Factorial.cpp bindings.cpp)
+set(SOURCES cpp/KineticGas.cpp cpp/KineticGas_mthr.cpp cpp/Spherical.cpp cpp/MieKinGas.cpp
+            cpp/Integration/Integration.cpp cpp/Factorial.cpp cpp/bindings.cpp)
 
 if (CMAKE_BUILD_TYPE MATCHES Release)
     project(KineticGas_r)
@@ -33,5 +27,12 @@ else()
     set(TARGET KineticGas_d)
 endif()
 
-add_subdirectory("${CMAKE_CURRENT_SOURCE_DIR}/../externals/pybind11" "pybind11")
-pybind11_add_module(${TARGET} ${SOURCES})
+# Find the module development requirements (requires FindPython from 3.17 or
+# scikit-build-core's built-in backport)
+find_package(Python REQUIRED COMPONENTS Interpreter Development.Module)
+find_package(pybind11 CONFIG REQUIRED)
+
+# Add a library using FindPython's tooling (pybind11 also provides a helper like
+# this)
+python_add_library(${TARGET} MODULE ${SOURCES} WITH_SOABI)
+target_link_libraries(${TARGET} PRIVATE pybind11::headers)

pyproject.toml

@@ -0,0 +1,39 @@
+[build-system]
+requires = ["scikit-build-core>=0.3.3", "pybind11"]
+build-backend = "scikit_build_core.build"
+
+
+[project]
+name = "pykingas"
+version = "2.0.0"
+description="Revised Enskog theory for Mie fluids, and other spherical potentials. Allows prediction of transport coefficients such as diffusion coefficients, viscosities, thermal diffusion coefficients and thermal conductivities. In dense, multicomponent gas mixtures and supercritical mixtures."
+readme = "README.md"
+authors = [
+  { name = "Vegard Gjeldvik Jervell", email = "vegard.g.j@icloud.com" },
+]
+requires-python = ">=3.7"
+classifiers = [
+  "Development Status :: 4 - Beta",
+  "License :: OSI Approved :: MIT License",
+  "Programming Language :: Python :: 3 :: Only",
+  "Programming Language :: Python :: 3.7",
+  "Programming Language :: Python :: 3.8",
+  "Programming Language :: Python :: 3.9",
+  "Programming Language :: Python :: 3.10",
+  "Programming Language :: Python :: 3.11",
+  "Programming Language :: Python :: 3.12",
+]
+
+[project.optional-dependencies]
+test = ["pytest"]
+
+
+[tool.scikit-build]
+wheel.expand-macos-universal-tags = true
+
+
+[tool.cibuildwheel]
+test-command = "pytest {project}/tests"
+test-extras = ["test"]
+test-skip = ["*universal2:arm64"]
+build-verbosity = 1

setup.py

@@ -1,22 +1,22 @@
-from setuptools import setup
-from pathlib import Path
+# from setuptools import setup
+# from pathlib import Path
 
-this_dir = Path(__file__).parent
-readme = (this_dir / 'pykingas/README.md').read_text()
-setup(
-    name='pykingas',
-    version='2.0.0',
-    packages=['pykingas'],
-    package_data={'pykingas': ['KineticGas*', 'fluids/*']},
-    description='Revised Enskog theory for Mie fluids, and other spherical potentials. Allows prediction of transport '
-                'coefficients such as diffusion coefficients, viscosities, thermal diffusion coefficients'
-                ' and thermal conductivities. In dense, multicomponent gas mixtures and supercritical mixtures.',
-    long_description=readme,
-    long_description_content_type='text/markdown',
-    author='Vegard Gjeldvik Jervell',
-    author_email='vegard.g.j@icloud.com',
-    url='https://github.com/thermotools/KineticGas',
-    install_requires=["numpy~=1.22",
-                      "scipy~=1.7",
-                      "thermopack~=2.1"]
-)
+# this_dir = Path(__file__).parent
+# readme = (this_dir / 'pykingas/README.md').read_text()
+# setup(
+#     name='pykingas',
+#     version='2.0.0',
+#     packages=['pykingas'],
+#     package_data={'pykingas': ['KineticGas*', 'fluids/*']},
+#     description='Revised Enskog theory for Mie fluids, and other spherical potentials. Allows prediction of transport '
+#                 'coefficients such as diffusion coefficients, viscosities, thermal diffusion coefficients'
+#                 ' and thermal conductivities. In dense, multicomponent gas mixtures and supercritical mixtures.',
+#     long_description=readme,
+#     long_description_content_type='text/markdown',
+#     author='Vegard Gjeldvik Jervell',
+#     author_email='vegard.g.j@icloud.com',
+#     url='https://github.com/thermotools/KineticGas',
+#     install_requires=["numpy~=1.22",
+#                       "scipy~=1.7",
+#                       "thermopack~=2.1"]
+# )