perf(precomputation): cleaned up allocations

recovered about 5% execution time

.gitignore

@@ -119,3 +119,7 @@ meson-boost-test/
 *.json
 *.xml
 *_pynucastro_network.py
+
+cross/python_includes
+
+*.whl

build-config/meson.build

@@ -1,7 +1,8 @@
 cmake = import('cmake')
 
-subdir('fourdst')
 
+subdir('python')
+subdir('fourdst')
 subdir('sundials')
 
 subdir('cppad')

build-config/python/meson.build

@@ -0,0 +1,16 @@
+py_installation = import('python').find_installation('python3', pure: false)
+
+
+if meson.is_cross_build() and host_machine.system() == 'darwin'
+  py_ver = get_option('python-target-version')
+  message('Cross build on Darwin, using python version ' + py_ver)
+  py_inc_dir = include_directories('../../cross/python_includes/python-' + py_ver + '/include/python' + py_ver)
+  py_dep = declare_dependency(include_directories: py_inc_dir)
+  py_module_prefix = ''
+  py_module_suffic = 'so'
+  meson.override_dependency('python3', py_dep)
+else
+  py_dep = py_installation.dependency()
+  py_module_prefix = ''
+  py_module_suffic = 'so'
+endif

build-config/sundials/cvode/meson.build

@@ -4,8 +4,10 @@ cvode_cmake_options = cmake.subproject_options()
 cvode_cmake_options.add_cmake_defines({
     'CMAKE_CXX_FLAGS'   : '-Wno-deprecated-declarations',
     'CMAKE_C_FLAGS'     : '-Wno-deprecated-declarations',
-    'BUILD_SHARED_LIBS' : 'ON',
-    'BUILD_STATIC_LIBS' : 'OFF',
+    'BUILD_SHARED_LIBS' : 'OFF',
+    'BUILD_STATIC_LIBS' : 'ON',
+    'EXAMPLES_ENABLE_C': 'OFF',
+    'CMAKE_POSITION_INDEPENDENT_CODE': true
 
 })
 
@@ -19,29 +21,56 @@ cvode_sp = cmake.subproject(
     options: cvode_cmake_options,
 )
 
-# For the core SUNDIALS library (SUNContext, etc.)
-sundials_core_dep = cvode_sp.dependency('sundials_core_shared')
+sundials_core_tgt = cvode_sp.target('sundials_core_static')
+sundials_cvode_tgt = cvode_sp.target('sundials_cvode_static')
+sundials_nvecserial_tgt = cvode_sp.target('sundials_nvecserial_static')
+sundials_sunmatrixdense_tgt = cvode_sp.target('sundials_sunmatrixdense_static')
+sundials_sunlinsoldense_tgt = cvode_sp.target('sundials_sunlinsoldense_static')
 
-# For the CVODE integrator library
-sundials_cvode_dep = cvode_sp.dependency('sundials_cvode_shared')
+cvode_objs = [
+  sundials_core_tgt.extract_all_objects(recursive: true),
+  sundials_cvode_tgt.extract_all_objects(recursive: true),
+  sundials_nvecserial_tgt.extract_all_objects(recursive: true),
+  sundials_sunmatrixdense_tgt.extract_all_objects(recursive: true),
+  sundials_sunlinsoldense_tgt.extract_all_objects(recursive: true),
+]
 
-# For the serial NVector library
-sundials_nvecserial_dep = cvode_sp.dependency('sundials_nvecserial_shared')
+sundials_core_includes = cvode_sp.include_directories('sundials_core_static')
+sundials_cvode_includes = cvode_sp.include_directories('sundials_cvode_static')
+sundials_nvecserial_includes = cvode_sp.include_directories('sundials_nvecserial_static')
+sundials_sunmatrixdense_includes = cvode_sp.include_directories('sundials_sunmatrixdense_static')
+sundials_sunlinsoldense_includes = cvode_sp.include_directories('sundials_sunlinsoldense_static')
 
-# For the dense matrix library
-sundials_sunmatrixdense_dep = cvode_sp.dependency('sundials_sunmatrixdense_shared')
+cvode_includes = [
+  sundials_core_includes,
+  sundials_cvode_includes,
+  sundials_nvecserial_includes,
+  sundials_sunmatrixdense_includes,
+  sundials_sunlinsoldense_includes
+]
 
-# For the dense linear solver library
-sundials_sunlinsoldense_dep = cvode_sp.dependency('sundials_sunlinsoldense_shared')
 
-cvode_dep = declare_dependency(
-    dependencies: [
-        sundials_core_dep,
-        sundials_cvode_dep,
-        sundials_nvecserial_dep,
-        sundials_sunmatrixdense_dep,
-        sundials_sunlinsoldense_dep,
-    ],
+empty_cvode_file = configure_file(
+  output: 'cvode_dummy_ar.cpp',
+  command: ['echo'],
+  capture: true
+  )
+
+
+
+libcvode_static = static_library(
+   'cvode-static',
+   empty_cvode_file,
+   objects: cvode_objs,
+   include_directories: cvode_includes,
+   pic: true,
+   install: false
+)
+
+
+cvode_dep = declare_dependency(
+  link_with: libcvode_static,
+  include_directories: cvode_includes,
 )
 
 

build-config/sundials/kinsol/meson.build

@@ -5,8 +5,10 @@ kinsol_cmake_options = cmake.subproject_options()
 kinsol_cmake_options.add_cmake_defines({
     'CMAKE_CXX_FLAGS'   : '-Wno-deprecated-declarations',
     'CMAKE_C_FLAGS'     : '-Wno-deprecated-declarations',
-    'BUILD_SHARED_LIBS' : 'ON',
-    'BUILD_STATIC_LIBS' : 'OFF',
+    'BUILD_SHARED_LIBS' : 'OFF',
+    'BUILD_STATIC_LIBS' : 'ON',
+    'EXAMPLES_ENABLE_C' : 'OFF',
+    'CMAKE_POSITION_INDEPENDENT_CODE': true
 })
 
 kinsol_cmake_options.add_cmake_defines({
@@ -19,11 +21,31 @@ kinsol_sp = cmake.subproject(
     options: kinsol_cmake_options,
 )
 
-sundials_kinsol_shared = kinsol_sp.dependency('sundials_kinsol_shared')
+sundials_kinsol_static_tgt = kinsol_sp.target('sundials_kinsol_obj_static')
+kinsol_includes = kinsol_sp.include_directories('sundials_kinsol_obj_static')
 
-kinsol_dep = declare_dependency(
-    dependencies: [
-        sundials_kinsol_shared,
-    ]
+kinsol_objs = [sundials_kinsol_static_tgt.extract_all_objects(recursive: false)]
+
+empty_kinsol_file = configure_file(
+  output: 'kinsol_dummy_ar.cpp',
+  command: ['echo'],
+  capture: true
+  )
+
+
+libkinsol_static = static_library(
+  'kinsol_static',
+  empty_kinsol_file,
+  objects: kinsol_objs,
+  include_directories: kinsol_includes,
+  pic: true,
+  install: false
 )
 
+
+kinsol_dep = declare_dependency(
+  link_with: libkinsol_static,
+  include_directories: kinsol_includes
+)
+
+

build-python/fix_rpaths.py

@@ -78,7 +78,7 @@ def fix_rpaths(binary_path):
 
 def main():
     if len(sys.argv) != 2:
-        print(f"--- Error: Expected one argument (path to .so file), got {sys.argv}", file=sys.stderr)
+        print(f"--- Error: Expected one argument (path to .dylib/.so file), got {sys.argv}", file=sys.stderr)
         sys.exit(1)
 
     # Get the file path directly from the command line argument

build-python/meson.build

@@ -1,7 +1,6 @@
-# --- Python Extension Setup ---
-py_installation = import('python').find_installation('python3', pure: false)
 
 gridfire_py_deps = [
+    py_dep,
     pybind11_dep,
     const_dep,
     config_dep,
@@ -9,9 +8,7 @@ gridfire_py_deps = [
     gridfire_dep
 ]
 
-py_mod = py_installation.extension_module(
-    '_gridfire', # Name of the generated .so/.pyd file (without extension)
-    sources: [
+py_sources =  [
         meson.project_source_root() + '/src/python/bindings.cpp',
         meson.project_source_root() + '/src/python/types/bindings.cpp',
         meson.project_source_root() + '/src/python/partition/bindings.cpp',
@@ -29,11 +26,28 @@ py_mod = py_installation.extension_module(
         meson.project_source_root() + '/src/python/policy/bindings.cpp',
         meson.project_source_root() + '/src/python/policy/trampoline/py_policy.cpp',
         meson.project_source_root() + '/src/python/utils/bindings.cpp',
-    ],
+    ]
+
+
+if meson.is_cross_build() and host_machine.system() == 'darwin'
+  py_mod = shared_module(
+    '_gridfire',
+    sources: py_sources,
+    dependencies: gridfire_py_deps,
+    name_prefix: '',
+    name_suffix: 'so',
+    install: true,
+    install_dir: py_installation.get_install_dir() + '/gridfire'
+    )
+else
+  py_mod = py_installation.extension_module(
+      '_gridfire', # Name of the generated .so/.pyd file (without extension)
+      sources: py_sources,
       dependencies : gridfire_py_deps,
       install : true,
       subdir: 'gridfire',
-)
+  )
+endif
 
 
 py_installation.install_sources(

cross/macos_arm64.ini

@@ -0,0 +1,19 @@
+[binaries]
+c = 'arm64-apple-darwin25-clang'
+cpp = 'arm64-apple-darwin25-clang++'
+ar = 'arm64-apple-darwin25-ar'
+strip = 'arm64-apple-darwin25-strip'
+pkg-config = 'pkg-config'
+ranlib = '/usr/bin/true'
+
+[host_machine]
+system = 'darwin'
+cpu_family = 'aarch64'
+cpu = 'arm64'
+endian = 'little'
+
+[built-in options]
+c_args = ['-mmacosx-version-min=15.0']
+cpp_args = ['-mmacos-version-min=15.0']
+c_link_args = ['-mmacosx-version-min=15.0']
+cpp_link_args = ['-mmacos-version-min=15.0']

meson.build

@@ -18,7 +18,7 @@
 #   Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
 #
 # *********************************************************************** #
-project('GridFire', ['c', 'cpp', 'fortran'], version: 'v0.7.4_rc2', default_options: ['cpp_std=c++23'], meson_version: '>=1.5.0')
+project('GridFire', ['c', 'cpp'], version: 'v0.7.4_rc2', default_options: ['cpp_std=c++23'], meson_version: '>=1.5.0')
 
 if get_option('build-python')
     add_project_arguments('-fvisibility=hidden', language: 'cpp')
@@ -27,30 +27,31 @@ else
 endif
 
 message('Found CXX compiler: ' + meson.get_compiler('cpp').get_id())
-message('Found FORTRAN compiler: ' + meson.get_compiler('fortran').get_id())
 message('C++ standard set to: ' + get_option('cpp_std'))
-message('Fortran standard set to: ' + get_option('fortran_std'))
+
+cppc = meson.get_compiler('cpp')
+cc = meson.get_compiler('c')
 
 
-if meson.get_compiler('cpp').get_id() == 'clang'
-    # We disable these because of CppAD
+if cppc.get_id() == 'clang'
     message('disabling bitwise-instead-of-logical warnings for clang')
     add_project_arguments('-Wno-bitwise-instead-of-logical', language: 'cpp')
 endif
 
-if meson.get_compiler('cpp').get_id() == 'gcc'
-    # We disable these because of boost notes about abi changes from C++10 -> C++17 make the build too noisey
+if cppc.get_id() == 'gcc'
     message('disabling psabi warnings for gcc')
     add_project_arguments('-Wno-psabi', language: 'cpp')
     
-    if (meson.get_compiler('cpp').version().version_compare('<14.0'))
-      error('g++ version must be at least 14.0, found ' + meson.get_compiler('cpp').version())
+    if (cppc.version().version_compare('<14.0'))
+      error('g++ version must be at least 14.0, found ' + cppc.version())
     endif
 endif
 
 build_fortran = get_option('build-fortran')
 if (build_fortran)
   add_languages('fortran', native: true)
+  message('Found FORTRAN compiler: ' + meson.get_compiler('fortran').get_id())
+  message('Fortran standard set to: ' + get_option('fortran_std'))
   message('Building fortran module (gridfire_mod.mod)')
   fc = meson.get_compiler('fortran')
   if not get_option('unsafe-fortran')
@@ -58,12 +59,25 @@ if (build_fortran)
       error('The only supported fortran compiler for GridFire is gfortran (version >= 14.0), found ' + fc  + '. GridFire has not been tested with any other compilers. You can disable this check with the -Dunsafe-fortran=true flag to try other compilers')
     endif
   endif
-  if (meson.get_compiler('fortran').version().version_compare('<14.0'))
-      error('gfortran version must be at least 14.0, found ' + meson.get_compiler('fortran').version())
+  if (fc.version().version_compare('<14.0'))
+      error('gfortran version must be at least 14.0, found ' + fc.version())
   endif
 endif
 
 
+if not cppc.has_header('print')
+    error('C++ standard library header <print> not found. Please ensure your compiler and standard library supports C++23. We have already validated your compiler version so this is likely an issue with your standard library installation.')
+endif
+if not cppc.has_header('format')
+    error('C++ standard library header <format> not found. Please ensure your compiler and standard library supports C++23. We have already validated your compiler version so this is likely an issue with your standard library installation.')
+endif
+
+
+ignore_unused_args = '-Wno-unused-command-line-argument'
+
+add_global_arguments(ignore_unused_args, language: 'cpp')
+add_global_arguments(ignore_unused_args, language: 'c')
+
 
 
 # For Eigen

meson_options.txt

@@ -5,3 +5,4 @@ option('build-tests', type: 'boolean', value: true, description: 'build the test
 option('build-fortran', type: 'boolean', value: false, description: 'build fortran module support')
 option('unsafe-fortran', type: 'boolean', value: false, description: 'Allow untested fortran compilers (compilers other than gfortran)')
 option('unity-safe', type: 'boolean', value: false, description: 'Enable safe unity builds for better compatibility across different compilers and platforms')
+option('python-target-version', type: 'string', value: '3.13', description: 'Target version for python compilation, only used for cross compilation')

src/include/gridfire/engine/engine_abstract.h

@@ -53,7 +53,7 @@ namespace gridfire::engine {
     struct StepDerivatives {
         std::map<fourdst::atomic::Species, T> dydt{}; ///< Derivatives of abundances (dY/dt for each species).
         T nuclearEnergyGenerationRate = T(0.0); ///< Specific energy generation rate (e.g., erg/g/s).
-        std::map<fourdst::atomic::Species, std::unordered_map<std::string, T>> reactionContributions{};
+        std::optional<std::map<fourdst::atomic::Species, std::unordered_map<std::string, T>>> reactionContributions = std::nullopt;
         T neutrinoEnergyLossRate = T(0.0); // (erg/g/s)
         T totalNeutrinoFlux = T(0.0);      // (neutrinos/g/s)
 

src/include/gridfire/engine/engine_graph.h

@@ -753,6 +753,14 @@ namespace gridfire::engine {
         [[nodiscard]]
         SpeciesStatus getSpeciesStatus(const fourdst::atomic::Species &species) const override;
 
+        [[nodiscard]] bool get_store_intermediate_reaction_contributions() const {
+            return m_store_intermediate_reaction_contributions;
+        }
+
+        void set_store_intermediate_reaction_contributions(const bool value) {
+            m_store_intermediate_reaction_contributions = value;
+        }
+
 
     private:
         struct PrecomputedReaction {
@@ -879,6 +887,7 @@ namespace gridfire::engine {
 
         bool m_usePrecomputation = true; ///< Flag to enable or disable using precomputed reactions for efficiency. Mathematically, this should not change the results. Generally end users should not need to change this.
         bool m_useReverseReactions = true; ///< Flag to enable or disable reverse reactions. If false, only forward reactions are considered.
+        bool m_store_intermediate_reaction_contributions = false; ///< Flag to enable or disable storing intermediate reaction contributions for debugging.
 
         BuildDepthType m_depth;
 
@@ -1207,7 +1216,10 @@ namespace gridfire::engine {
                 const T nu_ij = static_cast<T>(reaction.stoichiometry(species));
                 const T dydt_increment = threshold_flag * molarReactionFlow * nu_ij;
                 dydt_vec[speciesIdx] += dydt_increment;
-                result.reactionContributions[species][std::string(reaction.id())] = dydt_increment;
+
+                if (m_store_intermediate_reaction_contributions) {
+                    result.reactionContributions.value()[species][std::string(reaction.id())] = dydt_increment;
+                }
             }
 
         }

src/include/gridfire/solver/strategies/CVODE_solver_strategy.h

@@ -237,7 +237,7 @@ namespace gridfire::solver {
         };
 
         struct CVODERHSOutputData {
-            std::map<fourdst::atomic::Species, std::unordered_map<std::string, double>> reaction_contribution_map;
+            std::optional<std::map<fourdst::atomic::Species, std::unordered_map<std::string, double>>> reaction_contribution_map;
             double neutrino_energy_loss_rate;
             double total_neutrino_flux;
         };

src/lib/engine/engine_graph.cpp

@@ -684,7 +684,7 @@ namespace gridfire::engine {
             // --- Efficient lookup of only the active reactions ---
             uint64_t reactionHash = utils::hash_reaction(*reaction);
             const size_t reactionIndex = m_precomputedReactionIndexMap.at(reactionHash);
-            PrecomputedReaction precomputedReaction = m_precomputedReactions[reactionIndex];
+            const PrecomputedReaction& precomputedReaction = m_precomputedReactions[reactionIndex];
 
             // --- Forward abundance product ---
             double forwardAbundanceProduct = 1.0;
@@ -697,12 +697,12 @@ namespace gridfire::engine {
                     forwardAbundanceProduct = 0.0;
                     break; // No need to continue if one of the reactants has zero abundance
                 }
-                double factor = std::pow(comp.getMolarAbundance(reactant), power);
+                const double factor = std::pow(comp.getMolarAbundance(reactant), power);
                 if (!std::isfinite(factor)) {
                     LOG_CRITICAL(m_logger, "Non-finite factor encountered in forward abundance product for reaction '{}'. Check input abundances for validity.", reaction->id());
                     throw exceptions::BadRHSEngineError("Non-finite factor encountered in forward abundance product.");
                 }
-                forwardAbundanceProduct *= std::pow(comp.getMolarAbundance(reactant), power);
+                forwardAbundanceProduct *= factor;
             }
 
             const double bare_rate = bare_rates.at(reactionCounter);
@@ -764,8 +764,8 @@ namespace gridfire::engine {
                     default: ;
                 }
 
-                double local_neutrino_loss =  molarReactionFlows.back() * q_abs * neutrino_loss_fraction * m_constants.Na * m_constants.MeV_to_erg;
-                double local_neutrino_flux = molarReactionFlows.back() * m_constants.Na;
+                const double local_neutrino_loss =  molarReactionFlows.back() * q_abs * neutrino_loss_fraction * m_constants.Na * m_constants.MeV_to_erg;
+                const double local_neutrino_flux = molarReactionFlows.back() * m_constants.Na;
 
                 result.totalNeutrinoFlux += local_neutrino_flux;
                 result.neutrinoEnergyLossRate += local_neutrino_loss;
@@ -782,7 +782,7 @@ namespace gridfire::engine {
 
         reactionCounter = 0;
         for (const auto& reaction: activeReactions) {
-            size_t j = m_precomputedReactionIndexMap.at(utils::hash_reaction(*reaction));
+            const size_t j = m_precomputedReactionIndexMap.at(utils::hash_reaction(*reaction));
             const auto& precomp = m_precomputedReactions[j];
             const double R_j = molarReactionFlows[reactionCounter];
 
@@ -793,9 +793,12 @@ namespace gridfire::engine {
                 const int stoichiometricCoefficient = precomp.stoichiometric_coefficients[i];
 
                 // Update the derivative for this species
-                double dydt_increment = static_cast<double>(stoichiometricCoefficient) * R_j;
+                const double dydt_increment = static_cast<double>(stoichiometricCoefficient) * R_j;
                 result.dydt.at(species) += dydt_increment;
-                result.reactionContributions[species][std::string(reaction->id())] = dydt_increment;
+
+                if (m_store_intermediate_reaction_contributions) {
+                    result.reactionContributions.value()[species][std::string(reaction->id())] = dydt_increment;
+                }
             }
             reactionCounter++;
         }

src/meson.build

@@ -51,6 +51,7 @@ libgridfire = library('gridfire',
     gridfire_sources,
     include_directories: include_directories('include'),
     dependencies: gridfire_build_dependencies,
+    objects: [cvode_objs, kinsol_objs],
     install : true)
 
 gridfire_dep = declare_dependency(

tests/extern/meson.build

@@ -1,2 +1,5 @@
 subdir('C')
-subdir('fortran')
+
+if get_option('build-fortran')
+  subdir('fortran')
+endif

tests/graphnet_sandbox/main.cpp

@@ -4,7 +4,6 @@
 #include "gridfire/gridfire.h"
 
 #include "fourdst/composition/composition.h"
-#include "fourdst/plugin/bundle/bundle.h"
 #include "fourdst/logging/logging.h"
 #include "fourdst/atomic/species.h"
 #include "fourdst/composition/utils.h"

tests/graphnet_sandbox/meson.build

@@ -1,5 +1,5 @@
 executable(
     'graphnet_sandbox',
     'main.cpp',
-    dependencies: [gridfire_dep, composition_dep, plugin_dep, cli11_dep],
+    dependencies: [gridfire_dep, composition_dep,  cli11_dep],
 )

utils/python/fetch_header_files.sh

@@ -0,0 +1,132 @@
+#!/bin/bash
+
+# --- Configuration ---
+PYTHON_VERSIONS=("3.8.10" "3.9.13" "3.10.11" "3.11.9" "3.12.3" "3.13.0" "3.14.0")
+
+SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
+BASE_OUTPUT_DIR="$SCRIPT_DIR/../../cross/python_includes"
+
+# --- OS Detection ---
+OS="$(uname -s)"
+echo "Detected OS: $OS"
+
+# --- Dependency Check ---
+check_dependencies() {
+    if [ "$OS" == "Linux" ]; then
+        if ! command -v 7z &> /dev/null; then
+            echo "Error: '7z' (p7zip-full) is required on Linux."
+            exit 1
+        fi
+        if ! command -v cpio &> /dev/null; then
+            echo "Error: 'cpio' is required."
+            exit 1
+        fi
+    fi
+}
+
+# --- Extraction Logic (OS Specific) ---
+extract_pkg() {
+    local pkg_file="$1"
+    local extract_root="$2"
+    local major_ver="$3" # e.g., 3.11
+
+    echo "  -> Extracting..."
+
+    if [ "$OS" == "Darwin" ]; then
+        pkgutil --expand "$pkg_file" "$extract_root/expanded"
+        local payload_path="$extract_root/expanded/Python_Framework.pkg/Payload"
+        
+        if [ ! -f "$payload_path" ]; then
+            echo "  -> Error: Could not find Payload in package."
+            return 1
+        fi
+        mkdir -p "$extract_root/root"
+        pushd "$extract_root/root" > /dev/null
+        cat "$payload_path" | gunzip | cpio -id "*include/python${major_ver}/*" 2>/dev/null
+        popd > /dev/null
+
+    else
+        7z x "$pkg_file" -o"$extract_root/expanded" -y > /dev/null
+        local payload_path="$extract_root/expanded/Python_Framework.pkg/Payload"
+        
+        if [ ! -f "$payload_path" ]; then
+            echo "  -> Error: Could not find Payload in package."
+            return 1
+        fi
+
+        mkdir -p "$extract_root/root"
+        pushd "$extract_root/root" > /dev/null
+        cat "$payload_path" | gunzip | cpio -id "*include/python${major_ver}/*" 2>/dev/null
+        popd > /dev/null
+    fi
+}
+
+check_dependencies
+
+mkdir -p "$BASE_OUTPUT_DIR"
+
+for FULL_VER in "${PYTHON_VERSIONS[@]}"; do
+    MAJOR_VER=$(echo "$FULL_VER" | cut -d. -f1,2)
+    
+    TARGET_DIR="$BASE_OUTPUT_DIR/python-$MAJOR_VER"
+    TEMP_DIR="$BASE_OUTPUT_DIR/tmp_$FULL_VER"
+    PKG_NAME="python-${FULL_VER}-macos11.pkg"
+    
+    if [[ "$MAJOR_VER" == "3.8" ]]; then
+        PKG_NAME="python-${FULL_VER}-macosx10.9.pkg"
+    fi
+
+    DOWNLOAD_URL="https://www.python.org/ftp/python/${FULL_VER}/$PKG_NAME"
+
+    echo "Processing Python $FULL_VER..."
+
+    if [ -d "$TARGET_DIR" ] && [ "$(ls -A $TARGET_DIR)" ]; then
+        echo "  -> Headers already exist in $TARGET_DIR. Skipping."
+        continue
+    fi
+
+    mkdir -p "$TEMP_DIR"
+
+    echo "  -> Downloading from $DOWNLOAD_URL"
+    curl -L -s -o "$TEMP_DIR/python.pkg" "$DOWNLOAD_URL"
+    
+    if [ $? -ne 0 ]; then
+        echo "  -> Download failed! Check version number or internet connection."
+        rm -rf "$TEMP_DIR"
+        continue
+    fi
+
+    # 2. Extract
+    extract_pkg "$TEMP_DIR/python.pkg" "$TEMP_DIR" "$MAJOR_VER"
+
+    # 3. Move Headers to Final Location
+    # The cpio extraction usually results in: ./Versions/X.Y/include/pythonX.Y
+    # We want to move that specific include folder to our target dir
+    
+    FOUND_HEADERS=$(find "$TEMP_DIR/root" -type d -path "*/include/python${MAJOR_VER}" | head -n 1)
+    
+    if [ -n "$FOUND_HEADERS" ]; then
+        echo "  -> Found headers at: $FOUND_HEADERS"
+        
+        # Move the content to the final destination
+        # We want the folder to be .../python-3.11/include/python3.11
+        mkdir -p "$TARGET_DIR/include"
+        mv "$FOUND_HEADERS" "$TARGET_DIR/include/"
+        
+        # Verify pyconfig.h exists (sanity check)
+        if [ -f "$TARGET_DIR/include/python${MAJOR_VER}/pyconfig.h" ]; then
+            echo "  -> Success: Headers installed to $TARGET_DIR"
+        else 
+            echo "  -> Warning: Header move seemed successful, but pyconfig.h is missing."
+        fi
+    else
+        echo "  -> Error: Could not locate header files after extraction."
+    fi
+
+    # 4. Cleanup
+    rm -rf "$TEMP_DIR"
+    echo "---------------------------------------------------"
+done
+
+echo "Done. All headers stored in $BASE_OUTPUT_DIR"
+

utils/wheels/build-wheels-macos_aarch64.sh

@@ -1,6 +1,7 @@
 #!/usr/bin/env bash
 set -euo pipefail
 
+# 1. Validation
 if [[ $(uname -m) != "arm64" ]]; then
   echo "Error: This script is intended to run on an Apple Silicon (arm64) Mac."
   exit 1
@@ -11,11 +12,12 @@ if [[ $# -ne 1 ]]; then
   exit 1
 fi
 
-# --- Initial Setup ---
+# 2. Setup Directories
 REPO_URL="$1"
 WORK_DIR="$(pwd)"
 WHEEL_DIR="${WORK_DIR}/wheels_macos_aarch64_tmp"
 FINAL_WHEEL_DIR="${WORK_DIR}/wheels_macos_aarch64"
+RPATH_SCRIPT="${WORK_DIR}/../../build-python/fix_rpaths.py" # Assumes script is in this location relative to execution
 
 echo "➤ Creating wheel output directories"
 mkdir -p "${WHEEL_DIR}"
@@ -26,10 +28,22 @@ echo "➤ Cloning ${REPO_URL} → ${TMPDIR}/project"
 git clone --depth 1 "${REPO_URL}" "${TMPDIR}/project"
 cd "${TMPDIR}/project"
 
-# --- macOS Build Configuration ---
+# 3. Build Configuration
 export MACOSX_DEPLOYMENT_TARGET=15.0
 
+# Meson options passed to pip via config-settings
+# Note: We use an array to keep the command clean
+MESON_ARGS=(
+    "-Csetup-args=-Dunity=off"
+    "-Csetup-args=-Dbuild-python=true"
+    "-Csetup-args=-Dbuild-fortran=false"
+    "-Csetup-args=-Dbuild-tests=false"
+    "-Csetup-args=-Dpkg-config=false"
+    "-Csetup-args=-Dunity-safe=true"
+)
+
 PYTHON_VERSIONS=("3.8.20" "3.9.23" "3.10.18" "3.11.13" "3.12.11" "3.13.5" "3.13.5t" "3.14.0rc1" "3.14.0rc1t" 'pypy3.10-7.3.19' "pypy3.11-7.3.20")
+PYTHON_VERSIONS=("3.9.23" "3.10.18" "3.11.13" "3.12.11" "3.13.5" "3.13.5t" "3.14.0rc1" "3.14.0rc1t" 'pypy3.10-7.3.19' "pypy3.11-7.3.20")
 
 if ! command -v pyenv &> /dev/null; then
     echo "Error: pyenv not found. Please install it to manage Python versions."
@@ -37,55 +51,48 @@ if ! command -v pyenv &> /dev/null; then
 fi
 eval "$(pyenv init -)"
 
+# 4. Build Loop
 for PY_VERSION in "${PYTHON_VERSIONS[@]}"; do
   (
     set -e
 
-    if ! pyenv versions --bare --filter="${PY_VERSION}." &>/dev/null; then
-        echo "⚠️  Python version matching '${PY_VERSION}.*' not found by pyenv. Skipping."
+    # Check if version exists in pyenv
+    if ! pyenv versions --bare --filter="${PY_VERSION}" &>/dev/null; then
+        echo "⚠️  Python version matching '${PY_VERSION}' not found by pyenv. Skipping."
         continue
     fi
     
     pyenv shell "${PY_VERSION}"
-
     PY="$(pyenv which python)"
-    echo "➤ Building for $($PY --version) on macOS arm64 (target: ${MACOSX_DEPLOYMENT_TARGET})"
     
+    echo "----------------------------------------------------------------"
+    echo "➤ Building for $($PY --version) on macOS arm64"
+    echo "----------------------------------------------------------------"
+
+    # Install build deps explicitly so we can skip build isolation
     "$PY" -m pip install --upgrade pip setuptools wheel meson meson-python delocate
 
-    CC=clang CXX=clang++ "$PY" -m pip wheel . \
+    # PERF: --no-build-isolation prevents creating a fresh venv and reinstalling meson/ninja 
+    # for every single build, saving significant I/O and network time.
+    CC="ccache clang" CXX="ccache clang++" "$PY" -m pip wheel . \
+      --no-build-isolation \
+      "${MESON_ARGS[@]}" \
        -w "${WHEEL_DIR}" -vv
 
-    echo "➤ Sanitizing RPATHs before delocation..."
-    
+    # We expect exactly one new wheel in the tmp dir per iteration
     CURRENT_WHEEL=$(find "${WHEEL_DIR}" -name "*.whl" | head -n 1)
 
-    if [ -f "$CURRENT_WHEEL" ]; then
-        "$PY" -m wheel unpack "$CURRENT_WHEEL" -d "${WHEEL_DIR}/unpacked"
-        
-        UNPACKED_ROOT=$(find "${WHEEL_DIR}/unpacked" -mindepth 1 -maxdepth 1 -type d)
-
-        find "$UNPACKED_ROOT" -name "*.so" | while read -r SO_FILE; do
-            echo "   Processing: $SO_FILE"
-            "$PY" "../../build-python/fix_rpaths.py" "$SO_FILE"
-        done
-
-        "$PY" -m wheel pack "$UNPACKED_ROOT" -d "${WHEEL_DIR}"
-        
-        rm -rf "${WHEEL_DIR}/unpacked"
-    else
-        echo "Error: No wheel found to sanitize!"
-        exit 1
-    fi
-
-    echo "➤ Repairing wheel(s) with delocate"
-    delocate-wheel -w "${FINAL_WHEEL_DIR}" "${WHEEL_DIR}"/*.whl
-
-    rm "${WHEEL_DIR}"/*.whl
+    echo "➤ Repairing wheel with delocate"
+    # Delocate moves the repaired wheel to FINAL_WHEEL_DIR
+    delocate-wheel -w "${FINAL_WHEEL_DIR}" "$CURRENT_WHEEL"
 
+    # Clean up the intermediate wheel from this iteration so it doesn't confuse the next
+    rm "$CURRENT_WHEEL"
   )
 done
 
+# Cleanup
 rm -rf "${TMPDIR}"
 rm -rf "${WHEEL_DIR}"
 
+echo "✅ All builds complete. Artifacts in ${FINAL_WHEEL_DIR}"

utils/wheels/repair_wheel_macos.sh

@@ -0,0 +1,90 @@
+#!/bin/zsh
+
+set -e
+# Color codes for output
+RED='\033[0;31m'
+YELLOW='\033[1;33m'
+GREEN='\033[0;32m'
+NC='\033[0m' # No Color
+
+function fix_file_rpaths() {
+    local file_path="$1"
+    echo -e "${YELLOW}Fixing RPATHs in file: $file_path...${NC}"
+    python3 "$FIX_RPATH_SCRIPT" "$file_path"
+    if [ $? -ne 0 ]; then
+        echo -e "${RED}Error: RPATH fix script failed for file: $file_path${NC}"
+        exit 1
+    fi
+    echo -e "${GREEN}RPATHs fixed for file: $file_path${NC}"
+}
+
+export -f fix_file_rpaths
+
+echo -e "${YELLOW}"
+echo "========================================================================="
+echo "                    TEMPORARY WHEEL REPAIR WORKAROUND"
+echo "========================================================================="
+echo -e "${NC}"
+echo ""
+echo -e "${YELLOW}WARNING:${NC} This script applies a temporary patch to fix"
+echo "a known issue with meson-python that causes duplicate RPATH entries in"
+echo "built Python wheels on macOS, preventing module imports."
+echo ""
+echo "This workaround will:"
+echo "  1. Unzip the wheel file"
+echo "  2. Locate the extension modules"
+echo "  3. Remove duplicate RPATH entries using install_name_tool"
+echo "  4. Resign the wheel if necessary"
+echo "  5. Repackage the wheel file"
+echo ""
+
+FIX_RPATH_SCRIPT="../../build-python/fix_rpaths.py"
+
+# get the wheel directory to scan through
+WHEEL_DIR="$1"
+if [ -z "$WHEEL_DIR" ]; then
+    echo -e "${RED}Error: No wheel directory specified.${NC}"
+    echo "Usage: $0 /path/to/wheel_directory"
+    exit 1
+fi
+
+REPAIRED_WHEELS_DIR="repaired_wheels"
+mkdir -p "$REPAIRED_WHEELS_DIR"
+
+REPAIRED_DELOCATED_WHEELS_DIR="${REPAIRED_WHEELS_DIR}/delocated"
+
+# Scal all files ending in .whl and not starting with a dot
+for WHEEL_PATH in "$WHEEL_DIR"/*.whl; do
+    if [ ! -f "$WHEEL_PATH" ]; then
+        echo -e "${YELLOW}No wheel files found in directory: $WHEEL_DIR${NC}"
+        exit 0
+    fi
+    echo ""
+    echo -e "${GREEN}Processing wheel: $WHEEL_PATH${NC}"
+
+    WHEEL_NAME=$(basename "$WHEEL_PATH")
+    TEMP_DIR=$(mktemp -d)
+
+    echo -e "${GREEN}Step 1: Unzipping wheel...${NC}"
+    python -m wheel unpack "$WHEEL_PATH" -d "$TEMP_DIR"
+
+    echo -e "${GREEN}Step 2: Locating extension modules...${NC}"
+    while IFS= read -r -d '' so_file; do
+        echo "Found library: $so_file"
+        fix_file_rpaths "$so_file"
+    done < <(find "$TEMP_DIR" -name "*.so" -print0)
+
+    echo -e "${GREEN}Step 4: Repackaging wheel...${NC}"
+    python -m wheel pack "$TEMP_DIR/gridfire-0.7.4rc2" -d "$REPAIRED_WHEELS_DIR"
+
+    REPAIRED_WHEEL_PATH="${REPAIRED_WHEELS_DIR}/${WHEEL_NAME}"
+
+    echo -e "${GREEN}Step 5: Delocating wheel...${NC}"
+    # Ensure delocate is installed
+    pip install delocate
+    delocate-wheel -w "$REPAIRED_DELOCATED_WHEELS_DIR" "$REPAIRED_WHEEL_PATH"
+
+    echo -e "${GREEN}Repaired wheel saved to: ${REPAIRED_DELOCATED_WHEELS_DIR}/${WHEEL_NAME}${NC}"
+    # Clean up temporary directory
+    rm -rf "$TEMP_DIR"
+done