Turn to scikit-build-core

Proof-of-concept to support Python 3.12
Supports parallel build

.github/workflows/build.yml

@@ -41,6 +41,8 @@ jobs:
         make -j4
         sudo make install
     - name: Build
-      run: python3 setup.py install --user --sundials-home=/usr --blas-home=/usr/lib/x86_64-linux-gnu/ --lapack-home=/usr/lib/x86_64-linux-gnu/ --superlu-home=/usr --extra-fortran-compile-flags="-fallow-argument-mismatch"
+      run: |
+        cmake -B build -DCMAKE_INSTALL_PREFIX=~/.local .
+        cmake --build build --target install --parallel 1
     - name: Test
       run: python3 -m nose --verbose tests/* tests/solvers/*

CMakeLists.txt

@@ -0,0 +1,253 @@
+cmake_minimum_required (VERSION 3.17)
+project (Assimulo LANGUAGES C)
+
+option(USE_FORTRAN "build Fortran modules" ON)
+option(USE_SUNDIALS "build SUNDIALS modules" ON)
+option(USE_SUPERLU "use SUPERLU lib" ON)
+if (USE_FORTRAN)
+  enable_language(Fortran)
+endif ()
+
+find_package (Python COMPONENTS Interpreter Development.Module NumPy REQUIRED)
+
+find_package(LAPACK)
+
+list (APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
+
+if (USE_SUPERLU)
+  find_package (SuperLU_MT)
+endif ()
+
+if (USE_SUNDIALS)
+  find_package (SUNDIALS CONFIG)
+  if (SUNDIALS_FOUND)
+    message(STATUS "Found SUNDIALS: ${SUNDIALS_DIR}  (found version \"${SUNDIALS_VERSION}\")")
+  endif ()
+endif ()
+
+include(GNUInstallDirs)
+if (NOT DEFINED PYTHON_SITE_PACKAGES)
+  if (WIN32)
+    set (PYTHON_SITE_PACKAGES Lib/site-packages CACHE PATH "site-packages dir")
+  else ()
+    set (PYTHON_SITE_PACKAGES ${CMAKE_INSTALL_LIBDIR}/python${Python_VERSION_MAJOR}.${Python_VERSION_MINOR}/site-packages CACHE PATH "site-packages dir")
+  endif ()
+endif ()
+
+set (cython_clones)
+# copy /src tree into CMAKE_BINARY_DIR/assimulo
+file (GLOB_RECURSE cython_sources src/*.pyx src/*.pxd src/*.py)
+foreach (file ${cython_sources})
+  if (EXISTS ${file})
+    file (RELATIVE_PATH rel_file "${CMAKE_SOURCE_DIR}/src" "${file}")
+    get_filename_component (rel_path ${rel_file} PATH)
+    file (MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/assimulo/${rel_path})
+    set (cython_clone ${CMAKE_BINARY_DIR}/assimulo/${rel_file})
+    add_custom_command (OUTPUT ${cython_clone}
+      COMMENT "Copying ${file}"
+      COMMAND ${CMAKE_COMMAND} -E copy ${file} ${cython_clone}
+      DEPENDS ${file}
+    )
+    list (APPEND cython_clones ${cython_clone})
+  endif ()
+endforeach ()
+
+# copy /thirdparty tree into CMAKE_BINARY_DIR
+file (GLOB_RECURSE cython_sources thirdparty/*.pyx thirdparty/*.pxd thirdparty/*.py)
+foreach (file ${cython_sources})
+  if (EXISTS ${file})
+    file (RELATIVE_PATH rel_file "${CMAKE_SOURCE_DIR}/thirdparty" "${file}")
+    get_filename_component (rel_path ${rel_file} PATH)
+    file (MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/thirdparty/${rel_path})
+    set (cython_clone ${CMAKE_BINARY_DIR}/thirdparty/${rel_file})
+    add_custom_command (OUTPUT ${cython_clone}
+      COMMENT "Copying ${file}"
+      COMMAND ${CMAKE_COMMAND} -E copy ${file} ${cython_clone}
+      DEPENDS ${file}
+    )
+    list (APPEND cython_clones ${cython_clone})
+  endif ()
+endforeach ()
+
+if (CMAKE_C_COMPILER_ID MATCHES "GNU")
+  set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -fno-strict-aliasing")
+endif ()
+
+if (CMAKE_Fortran_COMPILER_ID MATCHES "GNU")
+  set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -fno-strict-aliasing -fallow-argument-mismatch")
+endif ()
+
+macro(assimulo_add_cython_module pyx_file)
+  cmake_parse_arguments(CMOD "" "DESTINATION" "SOURCES" ${ARGN})
+  if (NOT DEFINED CMOD_DESTINATION)
+    set (CMOD_DESTINATION assimulo)
+  endif ()
+  get_filename_component(name "${pyx_file}" NAME_WE)
+  get_filename_component(subdir "${pyx_file}" DIRECTORY)
+  add_custom_command(
+    OUTPUT ${name}.c
+    COMMENT "Making ${name}.c from ${name}.pyx"
+    COMMAND Python::Interpreter -m cython -o ${name}.c --3str --fast-fail
+            -I ${CMAKE_CURRENT_SOURCE_DIR}/src
+            -I ${CMAKE_CURRENT_SOURCE_DIR}/src/lib
+            ${CMAKE_CURRENT_BINARY_DIR}/${pyx_file}
+    DEPENDS ${cython_clones} VERBATIM)
+
+  python_add_library(${name} MODULE ${name}.c ${CMOD_SOURCES} WITH_SOABI)
+  target_include_directories(${name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}/src ${CMAKE_CURRENT_SOURCE_DIR}/${subdir})
+  target_link_libraries(${name} PRIVATE Python::NumPy)
+  target_compile_definitions(${name} PRIVATE NPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION)
+  install(TARGETS ${name} DESTINATION ${PYTHON_SITE_PACKAGES}/${CMOD_DESTINATION})
+endmacro()
+
+assimulo_add_cython_module(assimulo/explicit_ode.pyx
+  SOURCES src/ode_event_locator.c)
+assimulo_add_cython_module(assimulo/algebraic.pyx)
+assimulo_add_cython_module(assimulo/implicit_ode.pyx)
+assimulo_add_cython_module(assimulo/ode.pyx)
+assimulo_add_cython_module(assimulo/problem.pyx)
+assimulo_add_cython_module(assimulo/special_systems.pyx)
+assimulo_add_cython_module(assimulo/support.pyx)
+assimulo_add_cython_module(assimulo/solvers/euler.pyx
+  DESTINATION assimulo/solvers)
+#if (SUNDIALS_FOUND)
+#  assimulo_add_cython_module(solvers/sundials.pyx)
+#endif ()
+
+
+assimulo_add_cython_module(thirdparty/radau5/radau5ode.pyx
+  SOURCES thirdparty/radau5/radau5.c thirdparty/radau5/radau5_io.c
+  DESTINATION assimulo/lib)
+
+if (SuperLU_MT_FOUND)
+  target_sources(radau5ode PRIVATE thirdparty/radau5/superlu_double.c thirdparty/radau5/superlu_complex.c thirdparty/radau5/superlu_util.c)
+  target_link_libraries(radau5ode PRIVATE SuperLU_MT::SuperLU_MT)
+  target_compile_definitions(radau5ode PRIVATE __RADAU5_WITH_SUPERLU)
+endif()
+
+if (USE_FORTRAN)
+
+  find_program(F2PY_EXECUTABLE NAMES f2py f2py3 REQUIRED)
+
+  if (NOT DEFINED F2PY_INCLUDE_DIR)
+    execute_process(COMMAND ${Python_EXECUTABLE} -c "from numpy import f2py; print(f2py.get_include())"
+      OUTPUT_VARIABLE F2PY_INCLUDE_DIR
+      OUTPUT_STRIP_TRAILING_WHITESPACE)
+  endif()
+  message(STATUS "Using f2py include dir: ${F2PY_INCLUDE_DIR}")
+
+  # object library with common f2py symbols
+  add_library(fortranobject OBJECT ${F2PY_INCLUDE_DIR}/fortranobject.c)
+  target_link_libraries(fortranobject PUBLIC Python::NumPy)
+  target_compile_definitions(fortranobject PUBLIC NPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION)
+  target_include_directories(fortranobject PUBLIC ${F2PY_INCLUDE_DIR})
+  set_target_properties(fortranobject PROPERTIES POSITION_INDEPENDENT_CODE TRUE)
+
+  macro(assimulo_add_fortran_module name pyf_file)
+    cmake_parse_arguments(FMOD "" "" "SOURCES" ${ARGN})
+    add_custom_command(
+      OUTPUT ${name}module.c
+      COMMENT "Making ${name}module.c from ${pyf_file}"
+      COMMAND ${F2PY_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/${pyf_file}
+      DEPENDS ${pyf_file} VERBATIM)
+
+    # may not be created depending on numpy version
+    file(TOUCH ${CMAKE_CURRENT_BINARY_DIR}/${name}-f2pywrappers.f)
+
+    python_add_library(${name} MODULE ${FMOD_SOURCES}
+      ${CMAKE_CURRENT_BINARY_DIR}/${name}module.c
+      ${CMAKE_CURRENT_BINARY_DIR}/${name}-f2pywrappers.f
+      WITH_SOABI)
+    set_source_files_properties(${CMAKE_CURRENT_BINARY_DIR}/${name}module.c ${CMAKE_CURRENT_BINARY_DIR}/${name}-f2pywrappers.f PROPERTIES GENERATED TRUE)
+
+    target_link_libraries(${name} PRIVATE fortranobject)
+    install(TARGETS ${name} DESTINATION ${PYTHON_SITE_PACKAGES}/assimulo/lib)
+  endmacro()
+
+  assimulo_add_fortran_module(dopri5 thirdparty/hairer/dopri5.pyf
+    SOURCES thirdparty/hairer/dopri5.f)
+
+  assimulo_add_fortran_module(rodas thirdparty/hairer/rodas_decsol.pyf
+    SOURCES thirdparty/hairer/rodas_decsol.f)
+
+  assimulo_add_fortran_module(radau5 thirdparty/hairer/radau_decsol.pyf
+    SOURCES thirdparty/hairer/radau_decsol.f)
+
+  assimulo_add_fortran_module(radar5 thirdparty/hairer/radar5.pyf
+    SOURCES
+      thirdparty/hairer/contr5.f90
+      thirdparty/hairer/radar5_int.f90
+      thirdparty/hairer/radar5.f90
+      thirdparty/hairer/dontr5.f90
+      thirdparty/hairer/decsol.f90
+      thirdparty/hairer/dc_decdel.f90)
+
+  assimulo_add_fortran_module(odepack thirdparty/odepack/odepack.pyf
+    SOURCES
+      thirdparty/odepack/opkdmain.f
+      thirdparty/odepack/opkda1.f
+      thirdparty/odepack/opkda2.f
+      thirdparty/odepack/odepack_aux.f90)
+
+  assimulo_add_fortran_module(odassl thirdparty/odassl/odassl.pyf
+    SOURCES
+      thirdparty/odassl/odassl.f
+      thirdparty/odassl/odastp.f
+      thirdparty/odassl/odacor.f
+      thirdparty/odassl/odajac.f
+      thirdparty/odassl/d1mach.f
+      thirdparty/odassl/daxpy.f
+      thirdparty/odassl/ddanrm.f
+      thirdparty/odassl/ddatrp.f
+      thirdparty/odassl/ddot.f
+      thirdparty/odassl/ddwats.f
+      thirdparty/odassl/dgefa.f
+      thirdparty/odassl/dgesl.f
+      thirdparty/odassl/dscal.f
+      thirdparty/odassl/idamax.f
+      thirdparty/odassl/xerrwv.f)
+  if (CMAKE_Fortran_COMPILER_ID MATCHES "GNU")
+    target_compile_options(odassl PRIVATE $<$<COMPILE_LANGUAGE:Fortran>:-fdefault-double-8 -fdefault-real-8>)
+  endif ()
+
+  assimulo_add_fortran_module(dasp3dp thirdparty/dasp3/dasp3dp.pyf
+    SOURCES
+      thirdparty/dasp3/DASP3.f
+      thirdparty/dasp3/ANORM.f
+      thirdparty/dasp3/CTRACT.f
+      thirdparty/dasp3/DECOMP.f
+      thirdparty/dasp3/HMAX.f
+      thirdparty/dasp3/INIVAL.f
+      thirdparty/dasp3/JACEST.f
+      thirdparty/dasp3/PDERIV.f
+      thirdparty/dasp3/PREPOL.f
+      thirdparty/dasp3/SOLVE.f
+      thirdparty/dasp3/SPAPAT.f)
+
+  if (LAPACK_FOUND)
+    assimulo_add_fortran_module(glimda thirdparty/glimda/glimda_complete.pyf
+      SOURCES
+        thirdparty/glimda/glimda_complete.f)
+    target_link_libraries(glimda PRIVATE ${LAPACK_LIBRARIES})
+  endif ()
+endif ()
+
+install(FILES src/__init__.py
+  src/exception.py
+  src/problem_algebraic.py
+  DESTINATION ${PYTHON_SITE_PACKAGES}/assimulo)
+install(FILES src/lib/__init__.py
+  src/lib/radau_core.py
+  DESTINATION ${PYTHON_SITE_PACKAGES}/assimulo/lib)
+install(FILES src/solvers/__init__.py
+  src/solvers/dasp3.py
+  src/solvers/glimda.py
+  src/solvers/odassl.py
+  src/solvers/odepack.py
+  src/solvers/radar5.py
+  src/solvers/radau5.py
+  src/solvers/rosenbrock.py
+  src/solvers/runge_kutta.py
+  DESTINATION ${PYTHON_SITE_PACKAGES}/assimulo/solvers)
+install(DIRECTORY examples
+  DESTINATION ${PYTHON_SITE_PACKAGES}/assimulo)

cmake/FindSuperLU_MT.cmake

@@ -0,0 +1,58 @@
+# - Find SuperLU_MT
+# SuperLU_MT contains a set of subroutines to solve a sparse linear system
+# https://github.com/xiaoyeli/superlu_mt
+#
+# The module defines the following variables:
+#  SUPERLUMT_INCLUDE_DIRS, where to find mpc.h, etc.
+#  SUPERLUMT_LIBRARIES, the libraries needed to use MPC.
+#  SUPERLUMT_FOUND, If false, do not try to use MPC.
+# also defined, but not for general use are
+#  SUPERLUMT_LIBRARY, where to find the MPC library.
+#
+
+find_path (SUPERLUMT_INCLUDE_DIR slu_mt_cdefs.h
+  PATH_SUFFIXES superlu_mt
+)
+
+find_library (SUPERLUMT_LIBRARY
+  NAMES superlu_mt_OPENMP superlu_mt_THREAD
+)
+
+set (SUPERLUMT_LIBRARIES ${SUPERLUMT_LIBRARY})
+set (SUPERLUMT_INCLUDE_DIRS ${SUPERLUMT_INCLUDE_DIR})
+
+include(FindPackageHandleStandardArgs)
+find_package_handle_standard_args(SuperLU_MT DEFAULT_MSG SUPERLUMT_LIBRARY SUPERLUMT_INCLUDE_DIRS)
+
+mark_as_advanced (
+  SUPERLUMT_LIBRARY
+  SUPERLUMT_LIBRARIES
+  SUPERLUMT_INCLUDE_DIR
+  SUPERLUMT_INCLUDE_DIRS)
+
+
+
+if(NOT TARGET SuperLU_MT::SuperLU_MT)
+  add_library(SuperLU_MT::SuperLU_MT UNKNOWN IMPORTED)
+  set_target_properties(SuperLU_MT::SuperLU_MT
+    PROPERTIES
+    IMPORTED_LOCATION ${SUPERLUMT_LIBRARY}
+    INTERFACE_INCLUDE_DIRECTORIES "${SUPERLUMT_INCLUDE_DIR}")
+
+    find_package(BLAS QUIET)
+    if (BLAS_LIBRARIES)
+      target_link_libraries(SuperLU_MT::SuperLU_MT INTERFACE ${BLAS_LIBRARIES})
+    endif ()
+
+    if (SUPERLUMT_LIBRARY MATCHES OPENMP)
+      find_package(OpenMP QUIET)
+      if (OpenMP_FOUND)
+        target_link_libraries(SuperLU_MT::SuperLU_MT INTERFACE OpenMP::OpenMP_C)
+      endif ()
+    endif ()
+
+    find_library(MATH_LIBRARY NAMES m)
+    if (MATH_LIBRARY)
+      target_link_libraries(SuperLU_MT::SuperLU_MT INTERFACE ${MATH_LIBRARY})
+    endif ()
+endif()

pyproject.toml

@@ -0,0 +1,17 @@
+[project]
+name = "assimulo"
+version = "3.5.0"
+dependencies = [
+  "scipy",
+  "cython",
+]
+
+[build-system]
+requires = ["scikit-build-core"]
+build-backend = "scikit_build_core.build"
+
+[tool.scikit-build]
+logging.level = "DEBUG"
+
+[tool.scikit-build.cmake.define]
+CMAKE_VERBOSE_MAKEFILE = "ON"