Modernize the build system with scikit-build-core

CMakeLists.txt

@@ -152,9 +152,21 @@ add_subdirectory("${CMAKE_CURRENT_SOURCE_DIR}/externals/autodiff")
 # Turn on more useful diagnostic messages in nlohmann::json, for instance if you are accessing a field that doesn't exist
 set(JSON_Diagnostics TRUE CACHE BOOL "Turn on more helpful diagnostics in nlohmann::json")
 
-
-
-
+# Single-source the version, either from scikit, or from parsing the pyproject.toml
+if (SKBUILD)
+    add_definitions("-DTEQPVERSION=\"${SKBUILD_PROJECT_VERSION_FULL}\"")
+else()
+    file(READ "pyproject.toml" TOML_CONTENT)
+    set(REG "version = \"([0-9]+\\.[0-9]+\\.[0-9]+)\"")
+    string(REGEX MATCH "${REG}" VERSION_MATCH "${TOML_CONTENT}")
+    if (NOT VERSION_MATCH)
+        message(FATAL_ERROR "Can't parse the version")
+    else()
+        string(REGEX REPLACE "${REG}" "\\1" PROJECT_VERSION_FULL "${VERSION_MATCH}")
+        message(STATUS "Version: ${PROJECT_VERSION_FULL}")
+        add_definitions("-DTEQPVERSION=\"${PROJECT_VERSION_FULL}\"")
+    endif()
+endif()
 
 if (NOT TEQP_NO_TEQPCPP)
   # Add a static library with the C++ interface that uses only STL
@@ -240,6 +252,7 @@ if (NOT TEQP_NO_PYTHON)
     if (MSVC)
       target_compile_options(teqp PRIVATE "/Zm1000")
     endif()
+    install(TARGETS teqp LIBRARY DESTINATION teqp)
 endif()
 
 if (NOT TEQP_NO_TESTS)

README.md

@@ -420,3 +420,9 @@ cmake --build . --target multifluid_crit
 
 * When building in WSL via VS Code, you might need to enable metadata to avoid pages of configure errors in cmake: https://github.com/microsoft/WSL/issues/4257
 * Debugging in WSL via VS Code (it really works!): https://code.visualstudio.com/docs/cpp/config-wsl
+* Incremental rebuilds:
+
+  * See https://nanobind.readthedocs.io/en/latest/packaging.html#step-5-incremental-rebuilds ::
+
+    pip install scikit-build-core[pyproject]
+    pip install --no-build-isolation -ve .

interface/pybind11_wrapper.cpp

@@ -5,7 +5,6 @@
 #include <pybind11/stl.h>
 #include <pybind11/eigen.h>
 
-#include "teqpversion.hpp"
 #include "teqp/ideal_eosterms.hpp"
 #include "teqp/cpp/derivs.hpp"
 #include "teqp/derivs.hpp"

pyproject.toml

@@ -2,3 +2,46 @@
 select = "*-musllinux*"
 before-all = "apk add clang"
 environment = { CXX="clang++" }
+
+[build-system]
+requires = ["scikit-build-core >=0.4.3", "pybind11 >=2.13", "typing_extensions"]
+build-backend = "scikit_build_core.build"
+
+[project]
+name = "teqp"
+version = "0.23.0"
+description = "teqp: Templated EQuation of state Package"
+readme = "README.md"
+requires-python = ">=3.8"
+authors = [
+    { name = "Ian Bell", email = "[email protected]" },
+]
+#classifiers = [
+#    "License :: BSD",
+#]
+
+[project.urls]
+Homepage = "https://github.com/usnistgov/teqp"
+
+[tool.scikit-build]
+# Protect the configuration against future changes in scikit-build-core
+minimum-version = "0.10"
+
+# Setuptools-style build caching in a local directory
+build-dir = "build/{wheel_tag}"
+
+# The package to be built is that in the teqp folder
+wheel.packages = ["teqp"]
+build.targets = ["teqp"]
+
+# Build stable ABI wheels for CPython 3.12+
+# wheel.py-api = "cp312"
+
+#### Additional options for debugging
+# cmake.verbose = true
+# cmake.build-type = "Debug"
+# cmake.args = ["-G Xcode", "-DXCODE_DEBUG_PYTHON=ON"]
+# cmake.args = ["-DVERBOSE=ON"]
+
+[tool.cibuildwheel]
+build-verbosity = 1