Fix eigen wheel builds

interfaces/python_sdist/CMakeLists.txt

@@ -1,7 +1,7 @@
 # Set minimum version 3.27 so that CMP0144, search for packages by upper-cased
 # environment variables will use upper-cased variables. OLD behavior is to ignore
 # upper-cased variables
-cmake_minimum_required(VERSION 3.27...3.31)
+cmake_minimum_required(VERSION 3.27...4.4)
 project(${SKBUILD_PROJECT_NAME} LANGUAGES CXX)
 
 set(CMAKE_CXX_STANDARD 20)

interfaces/python_sdist/pyproject.toml.in

@@ -1,5 +1,5 @@
 [build-system]
-requires = ["scikit-build-core", "cython @cython_version_spec@", "numpy>=2.0"]
+requires = ["scikit-build-core>=1.0.3", "cython @cython_version_spec@", "numpy>=2.0"]
 build-backend = "scikit_build_core.build"
 
 [project]
@@ -64,9 +64,10 @@ lxcat2yaml = "cantera.lxcat2yaml:main"
 [tool.scikit-build]
 logging.level = "DEBUG"
 build.verbose = true
+minimum-version = "build-system.requires"
 
 [tool.scikit-build.cmake]
-version = ">=3.27,<4"
+version = "CMakeLists.txt"
 
 [tool.scikit-build.ninja]
 version = ">=1.13"
@@ -115,7 +116,7 @@ test-command = "pytest -vv --durations=100 ${CANTERA_TEST_DIR}/test/python"
 
 [tool.cibuildwheel.windows]
 before-build = "pip install delvewheel"
-repair-wheel-command = "delvewheel repair --add-path %HDF5_LIB_DIR%;%SUNDIALS_LIB_DIR% -w {dest_dir} {wheel}"
+repair-wheel-command = "delvewheel repair --add-path %HDF5_LIB_DIR%;%SUNDIALS_LIB_DIR%;%YAML_CPP_LIB_DIR% -w {dest_dir} {wheel}"
 test-command = "pytest -vv --durations=100 %CANTERA_TEST_DIR%\\test\\python"
 
 [tool.cibuildwheel.macos]

interfaces/python_sdist/src/CMakeLists.txt

@@ -10,14 +10,18 @@ else()
   set(CT_USE_SYSTEM_HIGHFIVE 1)
 endif()
 
-set(EIGEN_VERSION 3.4.0)
+set(EIGEN_VERSION 5.0.1)
 FetchContent_Declare(
   eigen
   URL https://gitlab.com/libeigen/eigen/-/archive/${EIGEN_VERSION}/eigen-${EIGEN_VERSION}.tar.bz2
-  URL_HASH SHA256=b4c198460eba6f28d34894e3a5710998818515104d6e74e5cc331ce31e46e626
+  URL_HASH SHA256=e4de6b08f33fd8b8985d2f204381408c660bffa6170ac65b68ae1bd3cd575c0a
   # FIND_PACKAGE_ARGS has to be the last thing in this call because it greedily takes
   # everything after it to pass to `find_package()`
-  FIND_PACKAGE_ARGS NAMES Eigen3
+  # 3.4...5 means find any version between 3.4 and 5, inclusive. REQUIRED and NO_MODULE
+  # are suggested by the Eigen docs: https://libeigen.gitlab.io/eigen/docs-5.0/TopicCMakeGuide.html
+  # GLOBAL sets up eigen to be a target in sibling directories. Without GLOBAL the target
+  # is scoped to this directory only.
+  FIND_PACKAGE_ARGS NAMES Eigen3 3.4...5 REQUIRED NO_MODULE GLOBAL
 )
 
 set(YAML_CPP_VERSION 0.8.0)
@@ -30,32 +34,34 @@ FetchContent_Declare(
   FIND_PACKAGE_ARGS NAMES yaml-cpp
 )
 
-set(SUNDIALS_VERSION 7.4.0)
+set(SUNDIALS_VERSION 7.8.0)
 FetchContent_Declare(
   sundials
   URL https://github.com/LLNL/sundials/releases/download/v${SUNDIALS_VERSION}/sundials-${SUNDIALS_VERSION}.tar.gz
-  URL_HASH SHA256=679ddacdd77610110e613164e8297d6d0cd35bae8e9c3afc8e8ff6f99a1c2a7b
+  URL_HASH SHA256=69ec92653e998e4841b59d363b3abf21299251991390f52917402737164ca574
   # FIND_PACKAGE_ARGS has to be the last thing in this call because it greedily takes
   # everything after it to pass to `find_package()`
   FIND_PACKAGE_ARGS NAMES SUNDIALS
 )
 
-set(FMT_VERSION 11.2.0)
+set(FMT_VERSION 12.2.0)
 FetchContent_Declare(
   fmt
   URL https://github.com/fmtlib/fmt/releases/download/${FMT_VERSION}/fmt-${FMT_VERSION}.zip
-  URL_HASH SHA256=203eb4e8aa0d746c62d8f903df58e0419e3751591bb53ff971096eaa0ebd4ec3
+  URL_HASH SHA256=a2f4a8d51178f954e4c339007f77edd76ba0cb2e36f87a48e5a5403d9be5878f
   # FIND_PACKAGE_ARGS has to be the last thing in this call because it greedily takes
   # everything after it to pass to `find_package()`
+  # GLOBAL sets up fmt to be a target in sibling directories. Without GLOBAL the target
+  # is scoped to this directory only.
   FIND_PACKAGE_ARGS NAMES fmt GLOBAL
 )
 
 if(CT_USE_HDF5)
-  set(HIGHFIVE_VERSION .3.1.1)
+  set(HIGHFIVE_VERSION 3.3.0)
   FetchContent_Declare(
     HighFive
     URL https://github.com/highfive-devs/HighFive/archive/refs/tags/v${HIGHFIVE_VERSION}.tar.gz
-    URL_HASH SHA256=c0bc76b01868a133bf4550a07321923c5582fe3967edc102864b082e40799914
+    URL_HASH SHA256=325cfbcf0c0296a6dd26f3b088801b7ebb8d6f109c0565c11d2d8c4af3253bff
     # FIND_PACKAGE_ARGS has to be the last thing in this call because it greedily takes
     # everything after it to pass to `find_package()`
     FIND_PACKAGE_ARGS NAMES HighFive

pixi.toml

@@ -19,10 +19,12 @@ boost-cpp = ">=1.85.0,<2"
 hdf5 = ">=1.14.6,<2"
 highfive = ">=3.2.0,<4"
 sundials = ">=7.6.0,<8"
+eigen = ">=3.4.0,<6"
 fmt = ">=12.1.0,<13"
 yaml-cpp = ">=0.8.0,<0.9"
 cython = ">=3.2.4,<4"
 numpy = ">=2.4.2,<3"
+python-build = ">=1.5.0,<2"
 pip = ">=26.0.1,<27"
 wheel = ">=0.46.3,<0.47"
 setuptools = ">=82.0.0,<83"
@@ -95,7 +97,7 @@ cython = ">=3.2.4,<4"
 numpy = ">=2.4.2,<3"
 "ruamel.yaml" = ">=0.19.1,<0.20"
 pip = ">=26.0.1,<27"
-cmake = ">=3.27,<4"
+cmake = ">=3.27,<5"
 ninja = ">=1.13.2,<2"
 nodejs = ">=25.2.1,<25.8"
 # pyodide-build shells out to `make` to read Makefile.envs when initializing the
@@ -105,7 +107,7 @@ make = ">=4.3,<5"
 
 [feature.pyodide.pypi-dependencies]
 build = ">=1.2.2.post1, <2"
-scikit-build-core = ">=0.12.1, <0.13"
+scikit-build-core = ">=1.0.3,<2"
 pyodide-build = ">=0.33.0, <0.34"
 
 # Native (non-Pyodide) build of the scikit-build-core/CMake sdist wheel. Layers the
@@ -114,12 +116,12 @@ pyodide-build = ">=0.33.0, <0.34"
 # run from a shell where the MSVC toolchain is activated (e.g. via vcvars64.bat), since
 # cmake's Ninja generator needs `cl`/`link` on PATH.
 [feature.wheel.dependencies]
-cmake = ">=3.27,<4"
+cmake = ">=3.27,<5"
 ninja = ">=1.13.2,<2"
+scikit-build-core = ">=1.0.3,<2"
 
 [feature.wheel.pypi-dependencies]
-build = ">=1.2.2.post1, <2"
-scikit-build-core = ">=0.12.1, <0.13"
+build = ">=1.5.0,<2"
 
 [environments]
 default = { features = ["core", "devtools", "docs", "samples"], no-default-feature = true }
@@ -131,3 +133,6 @@ wheel = { features = ["core", "wheel"], no-default-feature = true }
 
 [feature.docs.tasks]
 docs = "scons sphinx doxygen"
+
+[feature.wheel.tasks]
+sdist = "scons sdist"