docs(version): first gridfire release version (v1.0.0)

This version is the version which is scientifically published and which includes the lower friction install system with pip

Doxyfile

@@ -48,7 +48,7 @@ PROJECT_NAME           = GridFire
 # could be handy for archiving the generated documentation or if some version
 # control system is used.
 
-PROJECT_NUMBER         = v0.7.6rc4.2
+PROJECT_NUMBER         = v1.0.0
 
 # Using the PROJECT_BRIEF tag one can provide an optional one line description
 # for a project that appears at the top of each page and should give viewers a

build-check/CPPC/meson.build

@@ -61,7 +61,6 @@ version_sufficient = required_min == '' ? true : compiler_version.version_compar
 
 # --- failure analysis and reporting ----------------------------------------
 if toolchain_functional and not version_sufficient
-    # Works in practice; don't break a functioning setup over a number.
     warning(toolchain_desc + ' is below the minimum GridFire tests against ('
             + required_min + '), but all C++23 capability probes passed. '
             + 'Proceeding; if you hit compiler errors deep in the build, '
@@ -69,7 +68,6 @@ if toolchain_functional and not version_sufficient
 endif
 
 if not toolchain_functional
-    # 1) Name the failure precisely.
     failure_detail = ''
     if not have_print_hdr
         failure_detail += '\n  * C++ standard library header <print> not found.'
@@ -83,14 +81,11 @@ if not toolchain_functional
     if not version_sufficient
         failure_detail += '\n  * ' + toolchain_desc + ' is below the required minimum (' + required_min + ').'
     elif compiler_id == 'clang' and not is_apple_clang
-        # New-enough clang but probes failed: almost always the C++ stdlib
-        # underneath it, not clang itself.
         failure_detail += ('\n  * clang itself is new enough; on Linux clang uses the system '
             + 'libstdc++, so the GNU C++ runtime is likely too old. Install GCC >= '
             + gridfire_gcc_min + ' (clang will pick up its libstdc++), or use -Dcpp_args=-stdlib=libc++ with libc++ >= 17 installed.')
     endif
 
-    # 2) Search for a suitable already-installed alternate.
     candidate_names = []
     if compiler_id == 'gcc'
         candidate_names += ['g++-16', 'g++-15', 'g++-14', 'clang++-21', 'clang++-20', 'clang++-19', 'clang++-18', 'clang++-17']
@@ -110,7 +105,6 @@ if not toolchain_functional
         p = find_program(cand, required: false)
         if p.found()
             cand_ver = p.version()
-            # Decide the applicable minimum from the candidate's family.
             cand_min = cand.contains('clang') ? gridfire_clang_min : gridfire_gcc_min
             if cand_ver != 'unknown' and cand_ver.version_compare('>=' + cand_min)
                 candidates_report += '\n  [OK]       ' + p.full_path() + '  (version ' + cand_ver + ')'
@@ -123,7 +117,6 @@ if not toolchain_functional
         endif
     endforeach
 
-    # 3) OS-specific install guidance.
     os_help = ''
     if host_machine.system() == 'darwin'
         os_help = '''
@@ -160,7 +153,6 @@ How to get a suitable compiler on Linux:''' + distro_hint + '''
         os_help = '\nInstall GCC >= ' + gridfire_gcc_min + ' or LLVM clang >= ' + gridfire_clang_min + ' for your platform.'
     endif
 
-    # 4) Assemble the verdict.
     if suitable_cxx != ''
         action = ('\nA suitable compiler IS already installed. Meson cannot switch compilers '
             + 'after configuration starts, so re-run setup pointing at it:\n\n'
@@ -181,18 +173,9 @@ How to get a suitable compiler on Linux:''' + distro_hint + '''
           + action)
 endif
 
-# --- everything below unchanged from the original check ---------------------
 
-# For Eigen
 add_project_arguments('-Wno-deprecated-declarations', language: 'cpp')
-
-if get_option('build_python')
-    message('enabling hidden visibility for C++ symbols when building Python extension. This reduces the size of the resulting shared library.')
-    add_project_arguments('-fvisibility=hidden', language: 'cpp')
-else
-    message('enabling default visibility for C++ symbols')
-    add_project_arguments('-fvisibility=default', language: 'cpp')
-endif
+add_project_arguments('-fvisibility=default', language: 'cpp')
 
 if get_option('openmp_support')
     gridfire_args += ['-DGF_USE_OPENMP']

build-config/fourdst/meson.build

@@ -1,82 +1,74 @@
-fourdst_build_lib_all = true
-if not get_option('plugin_support')
-    fourdst_build_lib_all=false
-    message('Disabling fourdst plugin support as per user request.')
-endif
-
-fourdst_default_options = [
-    'build_tests=' + get_option('build_tests').to_string(),
-    'build_python=' + get_option('build_python').to_string(),
-    'build_lib_all=' + fourdst_build_lib_all.to_string(),
-    'build_lib_comp=true',
-    'build_lib_config=true',
-    'build_lib_log=true',
-    'build_lib_const=true',
-    'pkg_config=' + get_option('pkg_config').to_string(),
-]
-
 if get_option('build_python')
-    fourdst_default_options += ['default_library=static']
-endif
+    fourdst_inc_probe = run_command(py_installation, '-c',
+                                    'import fourdst; print("\\n".join(fourdst.get_include_dirs()))',
+                                    check: false)
+    if fourdst_inc_probe.returncode() != 0
+        error('Could not interrogate the fourdst wheel:\n' + fourdst_inc_probe.stderr()
+              + '\nIs fourdst installed in the build environment?')
+    endif
+    fourdst_inc_dirs = fourdst_inc_probe.stdout().strip().split('\n')
 
-fourdst_sp = subproject('fourdst', default_options: fourdst_default_options)
+    fourdst_lib_probe = run_command(py_installation, '-c',
+                                    'import fourdst; print("\\n".join(fourdst.get_lib_dirs()))',
+                                    check: false)
+    if fourdst_lib_probe.returncode() != 0
+        error('Could not interrogate the fourdst wheel:\n' + fourdst_lib_probe.stderr())
+    endif
+    fourdst_lib_dirs = fourdst_lib_probe.stdout().strip().split('\n')
+    fourdst_inc_args = []
+    foreach d : fourdst_inc_dirs
+        fourdst_inc_args += ['-I' + d]
+    endforeach
 
-composition_dep = fourdst_sp.get_variable('composition_dep')
-log_dep = fourdst_sp.get_variable('log_dep')
-const_dep = fourdst_sp.get_variable('const_dep')
-config_dep = fourdst_sp.get_variable('config_dep')
-if get_option('plugin_support')
-    warning('Including plugin library from fourdst. Note this will bring in minizip-ng and openssl, which can cause build issues with cross compilation due to their complexity.')
-    plugin_dep = fourdst_sp.get_variable('plugin_dep')
-endif
+    cpp = meson.get_compiler('cpp')
+    comp_lib  = cpp.find_library('composition', dirs: fourdst_lib_dirs)
+    log_lib   = cpp.find_library('logging',     dirs: fourdst_lib_dirs)
+    const_lib = cpp.find_library('const',       dirs: fourdst_lib_dirs)
+    refl_lib  = cpp.find_library('reflect_cpp', dirs: fourdst_lib_dirs)
 
-libcomposition = fourdst_sp.get_variable('libcomposition')
-libconst = fourdst_sp.get_variable('libconst')
-liblogging = fourdst_sp.get_variable('liblogging')
+    composition_dep = declare_dependency(compile_args: fourdst_inc_args, dependencies: [comp_lib, refl_lib])
+    log_dep         = declare_dependency(compile_args: fourdst_inc_args, dependencies: log_lib)
+    const_dep       = declare_dependency(compile_args: fourdst_inc_args, dependencies: const_lib)
+    config_dep      = declare_dependency(compile_args: fourdst_inc_args)   # header-only libconfig
+else
+    fourdst_build_lib_all = true
+    if not get_option('plugin_support')
+        fourdst_build_lib_all=false
+        message('Disabling fourdst plugin support as per user request.')
+    endif
 
-if get_option('plugin_support')
-    warning('Including plugin library from fourdst. Note this will bring in minizip-ng and openssl, which can cause build issues with cross compilation due to their complexity.')
-    libplugin = fourdst_sp.get_variable('libplugin')
-endif
-
-if get_option('build_python')
-    sp_root = meson.project_source_root() / 'subprojects'
-
-    fourdst_header_trees = [
-
-        ['config',
-         sp_root / 'libconfig' / 'src' / 'config' / 'include' / 'fourdst' / 'config',
-         gridfire_includedir / 'fourdst'],
-        ['composition',
-         sp_root / 'libcomposition' / 'src' / 'composition' / 'include' / 'fourdst' / 'composition',
-         gridfire_includedir / 'fourdst'],
-        ['atomic',
-         sp_root / 'libcomposition' / 'src' / 'composition' / 'include' / 'fourdst' / 'atomic',
-         gridfire_includedir / 'fourdst'],
-        ['constants',
-         sp_root / 'libconstants' / 'src' / 'constants' / 'include' / 'fourdst' / 'constants',
-         gridfire_includedir / 'fourdst'],
-        ['logging',
-         sp_root / 'liblogging' / 'src' / 'logging' / 'include' / 'fourdst' / 'logging',
-         gridfire_includedir / 'fourdst'],
-        ['toml++',
-         sp_root / 'libconfig' / 'build-config' / 'tomlpp' / 'vendor' / 'include' / 'toml++',
-         gridfire_fourdst_vendor_includedir],
-        ['quill',
-         sp_root / 'quill' / 'include' / 'quill',
-         gridfire_fourdst_vendor_includedir],
-        ['CLI',
-         sp_root / 'CLI11-2.6.1' / 'include' / 'CLI',
-         gridfire_fourdst_vendor_includedir],
+    fourdst_default_options = [
+        'build_tests=' + get_option('build_tests').to_string(),
+        'build_python=' + get_option('build_python').to_string(),
+        'build_lib_all=' + fourdst_build_lib_all.to_string(),
+        'build_lib_comp=true',
+        'build_lib_config=true',
+        'build_lib_log=true',
+        'build_lib_const=true',
+        'pkg_config=' + get_option('pkg_config').to_string(),
     ]
 
-    foreach t : fourdst_header_trees
-        custom_target(
-            'wheel_headers_' + t[0].underscorify(),
-            command: copytree_cmd + [t[1], '@OUTPUT@'],
-            output: t[0],
-            install: true,
-            install_dir: t[2],
-        )
-    endforeach
+    if get_option('build_python')
+        fourdst_default_options += ['default_library=static']
+    endif
+
+    fourdst_sp = subproject('fourdst', default_options: fourdst_default_options)
+
+    composition_dep = fourdst_sp.get_variable('composition_dep')
+    log_dep = fourdst_sp.get_variable('log_dep')
+    const_dep = fourdst_sp.get_variable('const_dep')
+    config_dep = fourdst_sp.get_variable('config_dep')
+    if get_option('plugin_support')
+        warning('Including plugin library from fourdst. Note this will bring in minizip-ng and openssl, which can cause build issues with cross compilation due to their complexity.')
+        plugin_dep = fourdst_sp.get_variable('plugin_dep')
+    endif
+
+    libcomposition = fourdst_sp.get_variable('libcomposition')
+    libconst = fourdst_sp.get_variable('libconst')
+    liblogging = fourdst_sp.get_variable('liblogging')
+
+    if get_option('plugin_support')
+        warning('Including plugin library from fourdst. Note this will bring in minizip-ng and openssl, which can cause build issues with cross compilation due to their complexity.')
+        libplugin = fourdst_sp.get_variable('libplugin')
+    endif
 endif

build-python/meson.build

@@ -36,28 +36,16 @@ if get_option('build_python')
     ]
 
 
-    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_rpath: gridfire_ext_rpath,
-            install_dir: py_installation.get_install_dir() + '/gridfire'
-        )
-    else
-        py_mod = py_installation.extension_module(
-            '_gridfire',
-            sources: py_sources,
-            dependencies : gridfire_py_deps,
-            install : true,
-            install_rpath: gridfire_ext_rpath,
-            subdir: 'gridfire',
-        )
-    endif
-
+    py_mod = py_installation.extension_module(
+        '_gridfire',
+        sources: py_sources,
+        dependencies: gridfire_py_deps,
+        install: true,
+        link_args: gridfire_ext_rpath_args,
+        build_rpath: gridfire_ext_rpath,
+        install_rpath: gridfire_ext_rpath,
+        subdir: 'gridfire',
+    )
 
     py_installation.install_sources(
         files(

meson.build

@@ -18,7 +18,7 @@
 #   Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
 #
 # *********************************************************************** #
-project('GridFire', ['c', 'cpp'], version: 'v0.7.6rc4.2', default_options: ['cpp_std=c++23'], meson_version: '>=1.5.0')
+project('GridFire', ['c', 'cpp'], version: 'v1.0.0', default_options: ['cpp_std=c++23'], meson_version: '>=1.5.0')
 
 gridfire_args = []
 

meson_options.txt

@@ -13,3 +13,4 @@ option('openmp_support', type: 'boolean', value: false, description: 'Enable Ope
 option('use_mimalloc', type: 'boolean', value: true, description: 'Use mimalloc as the memory allocator for GridFire. Generally this is ~10% faster than the system allocator.')
 option('build_benchmarks', type: 'boolean', value: false, description: 'build the benchmark suite')
 option('asan', type: 'boolean', value: false, description: 'Enable AddressSanitizer (ASan) support for detecting memory errors')
+option('libomp_prefix', type: 'string', value: '', description: 'Explicit prefix of an LLVM OpenMP runtime to use instead of auto-detection (macOS wheel builds). Empty = dependency(\'openmp\') auto-detection.')

pip_install_mac_patch.sh

@@ -1,108 +0,0 @@
-#!/bin/bash
-# pip_install_mac_patch.sh - Workaround for meson-python duplicate RPATH bug on macOS
-
-set -e
-
-# Color codes for output
-RED='\033[0;31m'
-YELLOW='\033[1;33m'
-GREEN='\033[0;32m'
-NC='\033[0m' # No Color
-
-# Returns 0 if the Mach-O binary at $1 has duplicate LC_RPATH entries.
-has_duplicate_rpaths() {
-    local binary="$1"
-    local rpaths dup
-    rpaths=$(otool -l "$binary" | awk '/cmd LC_RPATH/{getline; getline; print $2}')
-    dup=$(printf '%s\n' "$rpaths" | sort | uniq -d)
-    [ -n "$dup" ]
-}
-
-echo -e "${YELLOW}"
-echo "========================================================================="
-echo "          INSTALLATION + DUPLICATE-RPATH SAFETY NET (macOS)"
-echo "========================================================================="
-echo -e "${NC}"
-echo ""
-echo "This script installs gridfire with pip and then checks the installed"
-echo "extension modules for duplicate LC_RPATH entries (a meson-python bug"
-echo "exposed by macOS 26.1, see:"
-echo "  https://github.com/mesonbuild/meson-python/issues/813 )."
-echo ""
-echo "With the current self-contained wheel layout the bug should not"
-echo "trigger; binaries are only patched if duplicates are actually found."
-echo ""
-echo -e "${YELLOW}Continue? [y/N]${NC} "
-read -r response
-
-if [[ ! "$response" =~ ^[Yy]$ ]]; then
-    echo -e "${RED}Installation cancelled.${NC}"
-    exit 1
-fi
-
-echo ""
-echo -e "${GREEN}Step 1: Finding current Python environment...${NC}"
-
-PYTHON_BIN=$(which python3)
-if [ -z "$PYTHON_BIN" ]; then
-    echo -e "${RED}Error: python3 not found in PATH${NC}"
-    exit 1
-fi
-
-echo "Using Python: $PYTHON_BIN"
-PYTHON_VERSION=$($PYTHON_BIN --version)
-echo "Python version: $PYTHON_VERSION"
-
-SITE_PACKAGES=$($PYTHON_BIN -c "import site; print(site.getsitepackages()[0])")
-echo "Site packages: $SITE_PACKAGES"
-echo ""
-
-echo -e "${GREEN}Step 2: Installing gridfire with pip...${NC}"
-$PYTHON_BIN -m pip install . -v --no-build-isolation
-
-if [ $? -ne 0 ]; then
-    echo -e "${RED}Error: pip install failed${NC}"
-    exit 1
-fi
-echo ""
-
-FIX_SCRIPT="build-python/fix_rpaths.py"
-
-check_and_fix() {
-    local label="$1" so_file="$2"
-
-    if [ -z "$so_file" ]; then
-        echo -e "${YELLOW}Skipping ${label}: extension module not found (package may not be installed).${NC}"
-        return 0
-    fi
-
-    echo "Found ${label} extension module: $so_file"
-    if has_duplicate_rpaths "$so_file"; then
-        echo -e "${YELLOW}Duplicate LC_RPATH entries detected in ${label}; applying fix...${NC}"
-        if [ ! -f "$FIX_SCRIPT" ]; then
-            echo -e "${RED}Error: $FIX_SCRIPT not found${NC}"
-            echo "Please run this script from the project root directory."
-            exit 1
-        fi
-        $PYTHON_BIN "$FIX_SCRIPT" "$so_file"
-    else
-        echo -e "${GREEN}No duplicate LC_RPATH entries in ${label}; no patch needed.${NC}"
-    fi
-    echo ""
-}
-
-echo -e "${GREEN}Step 3: Checking installed extension modules...${NC}"
-
-GRIDFIRE_SO=$(find "$SITE_PACKAGES/gridfire" -name "_gridfire.cpython-*-darwin.so" 2>/dev/null | head -n 1)
-check_and_fix "gridfire" "$GRIDFIRE_SO"
-
-FOURDST_SO=$(find "$SITE_PACKAGES/fourdst" -name "_phys.cpython-*-darwin.so" 2>/dev/null | head -n 1)
-check_and_fix "fourdst" "$FOURDST_SO"
-
-echo -e "${GREEN}=========================================================================${NC}"
-echo -e "${GREEN}                    Installation Complete!${NC}"
-echo -e "${GREEN}=========================================================================${NC}"
-echo ""
-echo "Test the installation with:"
-echo "  $PYTHON_BIN -c 'import gridfire; print(gridfire.__version__)'"
-echo ""

pyproject.toml

@@ -1,14 +1,10 @@
 [build-system]
-requires = [
-    "meson-python>=0.19.0",
-    "meson>=1.9.1",
-    "pybind11>=2.10"
-]
+requires = ["meson-python>=0.19.0", "meson>=1.9.1", "pybind11==3.0.0", "fourdst==0.10.5"]
 build-backend = "mesonpy"
 
 [project]
 name = "gridfire"
-version = "v0.7.6rc4.2"
+dynamic = ["version"]
 description = "Python interface to the GridFire nuclear network code"
 readme = "README.md"
 license = { file = "LICENSE.txt" }
@@ -21,6 +17,8 @@ maintainers = [
     {name = "Emily M. Boudreaux", email = "emily@boudreauxmail.com"}
 ]
 
+dependencies = ["fourdst==0.10.6"]
+
 [tool.meson-python.args]
 setup = [
     '-Ddefault_library=static',

src/include/gridfire/engine/scratchpads/engine_multiscale_scratchpad.h

@@ -130,7 +130,7 @@ struct MultiscalePartitioningEngineViewScratchPad final : AbstractScratchPad {
      * @brief Check whether the scratchpad has been initialized.
      * @return true if initialized with a valid SUNContext, false otherwise.
      */
-    [[nodiscard]] bool is_initialized() const override { return has_initialized; }
+    [[nodiscard]] bool is_initialized() const override;
 
     /**
      * @brief Initialize the scratchpad by creating a SUNDIALS context.
@@ -150,16 +150,7 @@ struct MultiscalePartitioningEngineViewScratchPad final : AbstractScratchPad {
      * SUNContext ctx = scratch.sun_ctx;
      * @endcode
      */
-    void initialize() {
-        if (has_initialized) return;
-
-        const int flag = SUNContext_Create(SUN_COMM_NULL, &sun_ctx);
-        if (flag != 0) {
-            throw std::runtime_error("Failed to create SUNContext in MultiscalePartitioningEngineViewScratchPad.");
-        }
-
-        has_initialized = true;
-    }
+    void initialize();
 
     /**
      * @brief Destructor that properly releases SUNDIALS resources.
@@ -167,13 +158,7 @@ struct MultiscalePartitioningEngineViewScratchPad final : AbstractScratchPad {
      * Clears all QSE solvers before freeing the SUNContext to ensure
      * proper cleanup order and avoid dangling references.
      */
-    ~MultiscalePartitioningEngineViewScratchPad() override {
-        qse_solvers.clear();
-        if (sun_ctx != nullptr) {
-            SUNContext_Free(&sun_ctx);
-            sun_ctx = nullptr;
-        }
-    }
+    ~MultiscalePartitioningEngineViewScratchPad() override;
 
     /**
      * @brief Create a partial copy of this scratchpad.
@@ -196,20 +181,7 @@ struct MultiscalePartitioningEngineViewScratchPad final : AbstractScratchPad {
      *
      * @endcode
      */
-    [[nodiscard]] std::unique_ptr<AbstractScratchPad> clone() const override {
-        auto clone_pad = std::make_unique<MultiscalePartitioningEngineViewScratchPad>();
-        clone_pad->qse_groups = this->qse_groups;
-        clone_pad->dynamic_species = this->dynamic_species;
-        clone_pad->algebraic_species = this->algebraic_species;
-        clone_pad->composition_cache = this->composition_cache;
-
-        clone_pad->initialize();
-        clone_pad->qse_solvers.reserve(this->qse_solvers.size());
-        for (const auto& solver : qse_solvers) {
-            clone_pad->qse_solvers.push_back(solver->clone(clone_pad->sun_ctx)); // Must rebind context to new SUNContext
-        }
-        return clone_pad;
-    }
+    [[nodiscard]] std::unique_ptr<AbstractScratchPad> clone() const override;
 };
 
 } // namespace gridfire::engine::scratch

src/lib/engine/scratchpads/engine_multiscale_scratchpad.cpp

@@ -0,0 +1,52 @@
+#include "gridfire/engine/views/engine_multiscale.h"
+#include "gridfire/engine/scratchpads/scratchpad_abstract.h"
+#include "gridfire/engine/scratchpads/types.h"
+#include "gridfire/engine/scratchpads/engine_multiscale_scratchpad.h"
+
+#include "fourdst/atomic/atomicSpecies.h"
+
+#include <vector>
+#include <memory>
+#include <unordered_map>
+
+#include "sundials/sundials_context.h"
+
+
+namespace gridfire::engine::scratch {
+     bool MultiscalePartitioningEngineViewScratchPad::is_initialized() const{ return has_initialized; }
+
+     void MultiscalePartitioningEngineViewScratchPad::initialize() {
+          if (has_initialized) return;
+
+          const int flag = SUNContext_Create(SUN_COMM_NULL, &sun_ctx);
+          if (flag != 0) {
+               throw std::runtime_error("Failed to create SUNContext in MultiscalePartitioningEngineViewScratchPad.");
+          }
+
+          has_initialized = true;
+     }
+
+     MultiscalePartitioningEngineViewScratchPad::~MultiscalePartitioningEngineViewScratchPad() {
+          qse_solvers.clear();
+          if (sun_ctx != nullptr) {
+               SUNContext_Free(&sun_ctx);
+               sun_ctx = nullptr;
+          }
+     }
+
+     std::unique_ptr<AbstractScratchPad> MultiscalePartitioningEngineViewScratchPad::clone() const {
+          auto clone_pad = std::make_unique<MultiscalePartitioningEngineViewScratchPad>();
+          clone_pad->qse_groups = this->qse_groups;
+          clone_pad->dynamic_species = this->dynamic_species;
+          clone_pad->algebraic_species = this->algebraic_species;
+          clone_pad->composition_cache = this->composition_cache;
+
+          clone_pad->initialize();
+          clone_pad->qse_solvers.reserve(this->qse_solvers.size());
+          for (const auto& solver : qse_solvers) {
+               clone_pad->qse_solvers.push_back(solver->clone(clone_pad->sun_ctx)); // Must rebind context to new SUNContext
+          }
+          return clone_pad;
+     }
+
+}

src/meson.build

@@ -12,6 +12,7 @@ gridfire_sources = files(
     'lib/engine/procedures/construction.cpp',
     'lib/engine/diagnostics/dynamic_engine_diagnostics.cpp',
     'lib/engine/types/jacobian.cpp',
+    'lib/engine/scratchpads/engine_multiscale_scratchpad.cpp',
     'lib/reaction/reaction.cpp',
     'lib/reaction/reaclib.cpp',
     'lib/reaction/weak/weak.cpp',
@@ -56,7 +57,16 @@ if get_option('plugin_support')
 endif
 
 if get_option('openmp_support')
-    openmp_dep = dependency('openmp', required: true)
+    libomp_prefix = get_option('libomp_prefix')
+    if libomp_prefix != ''
+        omp_lib = cpp.find_library('omp', dirs: [libomp_prefix + '/lib'])
+        openmp_dep = declare_dependency(
+            compile_args: ['-Xpreprocessor', '-fopenmp', '-I' + libomp_prefix + '/include'],
+            dependencies: omp_lib,
+        )
+    else
+        openmp_dep = dependency('openmp', required: true)
+    endif
     gridfire_build_dependencies += [openmp_dep]
 endif
 
@@ -67,39 +77,97 @@ gridfire_link_args = cpp.get_supported_link_arguments(
 )
 
 if get_option('build_python')
-    gridfire_link_whole += [libcomposition, libconst, liblogging]
     if get_option('plugin_support')
-        gridfire_link_whole += [libplugin]
+        error('plugin_support is not available when build_python=true: '
+              + 'the fourdst wheel does not ship libplugin, and bundling it '
+              + 'would break cross-package type compatibility.')
     endif
+
+    # ---- rpaths ---------------------------------------------------------
+    # Wheel layout (both packages share one site-packages):
+    #   <site-packages>/gridfire/_gridfire.<tag>.so
+    #   <site-packages>/gridfire/lib/libgridfire.{so,dylib}
+    #   <site-packages>/fourdst/lib/lib{composition,logging,const}.*
+    #   <site-packages>/fourdst/lib/vendor/libreflect_cpp.*
+    #
+    # libgridfire (in gridfire/lib/) needs:  itself-dir, ../../fourdst/lib{,/vendor}
+    # _gridfire   (in gridfire/)     needs:  ./lib, ../fourdst/lib{,/vendor}
+    #
+    # Platform split:
+    #   * macOS / Mach-O: LC_RPATH cannot hold colon-separated lists,
+    #     meson carries a user-supplied build_rpath as a single string, and
+    #     install_rpath is only applied by `meson install` (which
+    #     meson-python never runs). So on darwin we emit one raw
+    #     `-Wl,-rpath,<path>` link arg per path, and deliberately do NOT
+    #     set build_rpath/install_rpath (a real `meson install` would then
+    #     add install_rpath on top of the link args, producing duplicate
+    #     LC_RPATH entries, which macOS 26+ dyld treats as a hard load
+    #     error).
+    #   * Linux / ELF: colon-joined DT_RUNPATH is the native format, and
+    #     install_rpath is baked into the binary at link time, so the
+    #     kwargs work for both meson-python wheels and `meson install`.
+    #
+    # NOTE: compose paths with '+', never the '/' join operator —
+    # 'x' / '/y' silently discards 'x' in Meson.
+    #
+    # gridfire_ext_rpath_args / gridfire_ext_rpath are consumed later by
+    # build-python/meson.build for the _gridfire extension module (this
+    # subdir is processed before build-python in the root meson.build).
+    if host_machine.system() == 'darwin'
+        gridfire_lib_rpath_args = [
+            '-Wl,-rpath,@loader_path',
+            '-Wl,-rpath,@loader_path/../../fourdst/lib',
+            '-Wl,-rpath,@loader_path/../../fourdst/lib/vendor',
+        ]
+        gridfire_lib_rpath = ''
+
+        gridfire_ext_rpath_args = [
+            '-Wl,-rpath,@loader_path/lib',
+            '-Wl,-rpath,@loader_path/../fourdst/lib',
+            '-Wl,-rpath,@loader_path/../fourdst/lib/vendor',
+        ]
+        gridfire_ext_rpath = ''
+    else
+        gridfire_lib_rpath_args = []
+        gridfire_lib_rpath = '$ORIGIN:' + '$ORIGIN/../../fourdst/lib:' + '$ORIGIN/../../fourdst/lib/vendor'
+
+        gridfire_ext_rpath_args = []
+        gridfire_ext_rpath = '$ORIGIN/lib:' + '$ORIGIN/../fourdst/lib:' + '$ORIGIN/../fourdst/lib/vendor'
+    endif
+
     libgridfire = shared_library('gridfire',
-                                 gridfire_sources,
-                                 include_directories: include_directories('include'),
-                                 dependencies: gridfire_build_dependencies,
-                                 cpp_args: gridfire_args,
-                                 link_whole: gridfire_link_whole,
-                                 link_args: gridfire_link_args,
-                                 install: true,
-                                 install_dir: gridfire_libdir)
+        gridfire_sources,
+        include_directories: include_directories('include'),
+        dependencies: gridfire_build_dependencies,
+        cpp_args: gridfire_args,
+        link_whole: gridfire_link_whole,
+        link_args: gridfire_link_args + gridfire_lib_rpath_args,
+        install: true,
+        install_dir: gridfire_libdir,
+        build_rpath: gridfire_lib_rpath,
+        install_rpath: gridfire_lib_rpath,
+    )
 else
     libgridfire = library('gridfire',
-                          gridfire_sources,
-                          include_directories: include_directories('include'),
-                          dependencies: gridfire_build_dependencies,
-                          link_whole: gridfire_link_whole,
-                          link_args: gridfire_link_args,
-                          cpp_args: gridfire_args,
-                          install : true)
+        gridfire_sources,
+        include_directories: include_directories('include'),
+        dependencies: gridfire_build_dependencies,
+        link_whole: gridfire_link_whole,
+        link_args: gridfire_link_args,
+        cpp_args: gridfire_args,
+        install : true
+    )
 endif
 
 if get_option('build_python')
-    gridfire_iface_deps = []
-    foreach d : gridfire_build_dependencies
-        gridfire_iface_deps += d.partial_dependency(compile_args: true, includes: true)
-    endforeach
+    gridfire_iface_dep = declare_dependency(
+        dependencies: gridfire_build_dependencies,
+    ).partial_dependency(compile_args: true, includes: true)
+
     gridfire_dep = declare_dependency(
         include_directories: include_directories('include'),
         link_with: libgridfire,
-        dependencies: gridfire_iface_deps,
+        dependencies: [gridfire_iface_dep],
         compile_args: gridfire_args,
     )
 else
@@ -114,8 +182,8 @@ endif
 meson.override_dependency('gridfire', gridfire_dep)
 
 install_subdir('include/gridfire',
-               install_dir: gridfire_includedir,
-               exclude_files: ['utils/config.h.in'],
+    install_dir: gridfire_includedir,
+    exclude_files: ['utils/config.h.in'],
 )
 
 
@@ -126,4 +194,3 @@ if get_option('build_c_api')
     message('Configuring C API...')
     subdir('extern')
 endif
-

src/python/gridfire/__init__.py

@@ -1,3 +1,13 @@
+try:
+    import fourdst as fst
+except ImportError as e:
+    raise ImportError(
+        "gridfire requires the fourdst package (its C++ types and shared "
+        "libraries come from there). pip install fourdst."
+    ) from e
+
+from ._gridfire import *
+
 from ._gridfire import *
 import sys
 
@@ -70,4 +80,49 @@ def gf_credits():
         "Emily M. Boudreaux - Lead Developer",
         "Aaron Dotter - Co-Developer",
         "4D-STAR Collaboration - Contributors"
-    ]
+    ]
+
+import os
+from pathlib import Path
+from typing import List
+
+_PACKAGE_DIR = Path(__file__).resolve().parent
+def gf_get_include_dirs():
+    return [
+        os.fspath(_PACKAGE_DIR / "include"),
+        os.fspath(_PACKAGE_DIR / "include" / "gridfire" / "vendor"),
+    ]
+
+def gf_get_lib_dirs():
+    return [
+        os.fspath(_PACKAGE_DIR / "lib"),
+    ]
+
+def gf_get_rpath_flags() -> List[str]:
+    return ["-Wl,-rpath," + os.fspath(_PACKAGE_DIR / "lib")]
+
+
+def gf_get_lib_flags() -> List[str]:
+    flags = ["-L" + d for d in gf_get_lib_dirs()]
+    flags += ["-lgridfire"]
+    return flags
+
+def gf_get_include_flags() -> List[str]:
+    return ["-I" + d for d in gf_get_include_dirs()]
+
+def gf_get_extra_flags() -> List[str]:
+    return ['--std=c++23', '-fPIC']
+def gf_compiler_flags(just_gridfire=False):
+    flags = []
+    if not just_gridfire:
+        flags.extend(fourdst_flags = fst.get_compiler_flags())
+    flags.extend(gf_get_rpath_flags())
+    flags.extend(gf_get_lib_flags())
+    flags.extend(gf_get_include_flags())
+    flags.extend(gf_get_extra_flags())
+    return flags
+
+def gf_get_compiler_flags_formatted(just_gridfire=False) -> int:
+    flags = gf_compiler_flags(just_gridfire)
+    print(" ".join(flags))
+    return 0

src/python/solver/bindings.cpp

@@ -17,14 +17,6 @@ namespace py = pybind11;
 void register_solver_bindings(const py::module &m) {
     auto py_cvode_timestep_context = py::class_<gridfire::solver::PointSolverTimestepContext>(m, "PointSolverTimestepContext");
     py_cvode_timestep_context.def_readonly("t", &gridfire::solver::PointSolverTimestepContext::t);
-    py_cvode_timestep_context.def_property_readonly(
-        "state",
-        [](const gridfire::solver::PointSolverTimestepContext& self) -> std::vector<double> {
-            const sunrealtype* nvec_data = N_VGetArrayPointer(self.state);
-            const sunindextype length = N_VGetLength(self.state);
-            return {nvec_data, nvec_data + length};
-        }
-    );
     py_cvode_timestep_context.def_readonly("dt", &gridfire::solver::PointSolverTimestepContext::dt);
     py_cvode_timestep_context.def_readonly("last_step_time", &gridfire::solver::PointSolverTimestepContext::last_step_time);
     py_cvode_timestep_context.def_readonly("T9", &gridfire::solver::PointSolverTimestepContext::T9);
@@ -57,6 +49,20 @@ void register_solver_bindings(const py::module &m) {
             return self.getPhysicalComposition();
         }
     );
+    py_cvode_timestep_context.def_property_readonly(
+        "rawState",
+        [](const gridfire::solver::PointSolverTimestepContext& self) -> std::vector<double> {
+            const std::span<const double> s = self.rawState();
+            return std::vector<double>(s.begin(), s.end());
+        }
+    );
+    py_cvode_timestep_context.def("abundance",
+        py::overload_cast<size_t>(&gridfire::solver::PointSolverTimestepContext::abundance, py::const_),
+        py::arg("species_index"));
+    py_cvode_timestep_context.def("abundance",
+        py::overload_cast<const fourdst::atomic::Species&>(&gridfire::solver::PointSolverTimestepContext::abundance, py::const_),
+        py::arg("species"));
+    py_cvode_timestep_context.def_property_readonly("accumulatedSpecificEnergy", &gridfire::solver::PointSolverTimestepContext::accumulatedSpecificEnergy);
 
 
 

subprojects/fourdst.wrap

@@ -1,4 +1,4 @@
 [wrap-git]
 url = https://github.com/4D-STAR/fourdst
-revision = v0.10.2
+revision = v0.10.6
 depth = 1

tests/meson.build

@@ -4,5 +4,9 @@
 #gtest_nomain_dep = dependency('gtest', main: false, required : true)
 
 # Subdirectories for unit and integration tests
-subdir('graphnet_sandbox')
-subdir('extern')
+if get_option('build_tests') and not get_option('build_python')
+    subdir('graphnet_sandbox')
+    subdir('extern')
+else
+    message('Tests disabled by build options! To enable them build with build_tests = true and build_python=false')
+endif

utils/wheels/build-wheels-linux_aarch64.sh

@@ -1,12 +1,15 @@
 #!/usr/bin/env bash
 set -euo pipefail
 
-if [[ $# -ne 1 ]]; then
-  echo "Usage: $0 <git-repo-url>"
+if [[ $# -lt 1 ]]; then
+  echo "Usage: $0 <git-repo-url> [fourdst-wheels-dir]"
+  echo "  fourdst-wheels-dir: optional local directory of fourdst wheels to"
+  echo "  install from instead of PyPI (for bootstrapping a new fourdst+gridfire pair)"
   exit 1
 fi
 
 REPO_URL="$1"
+LOCAL_FOURDST_WHEELS="${2:-}"
 WORK_DIR="$(pwd)"
 WHEEL_DIR="${WORK_DIR}/wheels_linux_aarch64"
 
@@ -17,21 +20,58 @@ TMPDIR="$(mktemp -d)"
 echo "➤ Cloning ${REPO_URL} → ${TMPDIR}/project"
 git clone "${REPO_URL}" "${TMPDIR}/project"
 
+DOCKER_MOUNTS=(-v "${WHEEL_DIR}":/io/wheels -v "${TMPDIR}/project":/io/project)
+if [[ -n "${LOCAL_FOURDST_WHEELS}" ]]; then
+  DOCKER_MOUNTS+=(-v "${LOCAL_FOURDST_WHEELS}":/io/fourdst-wheels)
+fi
+
 for IMAGE in \
   tboudreaux/manylinux_2_28_aarch64_boost_1_88_0:latest
 do
   docker run --rm \
-    -v "${WHEEL_DIR}":/io/wheels \
-    -v "${TMPDIR}/project":/io/project \
+    "${DOCKER_MOUNTS[@]}" \
     "${IMAGE}" \
     /bin/bash -eux -c '
       cd /io/project
+
+      FOURDST_PIN="$(grep -oE "fourdst==[0-9][0-9a-zA-Z.]*" pyproject.toml | head -n1 || true)"
+
+      if [ -d /io/fourdst-wheels ]; then
+        export PIP_FIND_LINKS=/io/fourdst-wheels
+      fi
+
       for PY in /opt/python/*/bin/python; do
         "$PY" -m pip install --upgrade pip setuptools wheel meson meson-python
-        CC=clang CXX=clang++ "$PY" -m pip wheel . --config-settings=setup-args=-Dunity=on -w /io/wheels -vv
-        auditwheel repair /io/wheels/*.whl -w /io/wheels
+
+        BUILD_WHEEL_DIR="$(mktemp -d)"
+        CC=clang CXX=clang++ "$PY" -m pip wheel . \
+          --no-deps --config-settings=setup-args=-Dunity=on \
+          -w "$BUILD_WHEEL_DIR" -vv
+
+        CURRENT_WHEEL="$(find "$BUILD_WHEEL_DIR" -name "*.whl" | head -n1)"
+
+        if [ -n "$FOURDST_PIN" ]; then
+          "$PY" -m pip install --force-reinstall "$FOURDST_PIN"
+          FOURDST_LIB_PATH="$("$PY" -c "import fourdst, os; print(os.pathsep.join(fourdst.get_lib_dirs()))")"
+          LD_LIBRARY_PATH="$FOURDST_LIB_PATH" auditwheel repair \
+            --exclude "libcomposition.so*" \
+            --exclude "liblogging.so*" \
+            --exclude "libconst.so*" \
+            --exclude "libreflect_cpp.so*" \
+            -w /io/wheels "$CURRENT_WHEEL"
+
+          REPAIRED="$(ls -t /io/wheels/*.whl | head -n1)"
+          if unzip -l "$REPAIRED" | grep -E "libcomposition|liblogging|libconst[^a-z]|libreflect_cpp"; then
+            echo "ERROR: repaired wheel contains vendored fourdst libraries"
+            exit 1
+          fi
+        else
+          auditwheel repair -w /io/wheels "$CURRENT_WHEEL"
+        fi
+
+        rm -rf "$BUILD_WHEEL_DIR"
       done
 
-      echo "✅ Linux wheels ready in /io/wheels"
+      echo "Linux wheels ready in /io/wheels"
     '
-done
+done

utils/wheels/build-wheels-linux_x86_64.sh

@@ -1,12 +1,15 @@
 #!/usr/bin/env bash
 set -euo pipefail
 
-if [[ $# -ne 1 ]]; then
-  echo "Usage: $0 <git-repo-url>"
+if [[ $# -lt 1 ]]; then
+  echo "Usage: $0 <git-repo-url> [fourdst-wheels-dir]"
+  echo "  fourdst-wheels-dir: optional local directory of fourdst wheels to"
+  echo "  install from instead of PyPI (for bootstrapping a new fourdst+gridfire pair)"
   exit 1
 fi
 
 REPO_URL="$1"
+LOCAL_FOURDST_WHEELS="${2:-}"
 WORK_DIR="$(pwd)"
 WHEEL_DIR="${WORK_DIR}/wheels_linux_x86_64"
 
@@ -17,21 +20,58 @@ TMPDIR="$(mktemp -d)"
 echo "➤ Cloning ${REPO_URL} → ${TMPDIR}/project"
 git clone "${REPO_URL}" "${TMPDIR}/project"
 
+DOCKER_MOUNTS=(-v "${WHEEL_DIR}":/io/wheels -v "${TMPDIR}/project":/io/project)
+if [[ -n "${LOCAL_FOURDST_WHEELS}" ]]; then
+  DOCKER_MOUNTS+=(-v "${LOCAL_FOURDST_WHEELS}":/io/fourdst-wheels)
+fi
+
 for IMAGE in \
   tboudreaux/manylinux_2_28_x86_64_boost_1_88_0:latest
 do
   docker run --rm \
-    -v "${WHEEL_DIR}":/io/wheels \
-    -v "${TMPDIR}/project":/io/project \
+    "${DOCKER_MOUNTS[@]}" \
     "${IMAGE}" \
     /bin/bash -eux -c '
       cd /io/project
+
+      FOURDST_PIN="$(grep -oE "fourdst==[0-9][0-9a-zA-Z.]*" pyproject.toml | head -n1 || true)"
+
+      if [ -d /io/fourdst-wheels ]; then
+        export PIP_FIND_LINKS=/io/fourdst-wheels
+      fi
+
       for PY in /opt/python/*/bin/python; do
         "$PY" -m pip install --upgrade pip setuptools wheel meson meson-python
-        CC=clang CXX=clang++ "$PY" -m pip wheel . --config-settings=setup-args=-Dunity=on -w /io/wheels -vv
-        auditwheel repair /io/wheels/*.whl -w /io/wheels
+
+        BUILD_WHEEL_DIR="$(mktemp -d)"
+        CC=clang CXX=clang++ "$PY" -m pip wheel . \
+          --no-deps --config-settings=setup-args=-Dunity=on \
+          -w "$BUILD_WHEEL_DIR" -vv
+
+        CURRENT_WHEEL="$(find "$BUILD_WHEEL_DIR" -name "*.whl" | head -n1)"
+
+        if [ -n "$FOURDST_PIN" ]; then
+          "$PY" -m pip install --force-reinstall "$FOURDST_PIN"
+          FOURDST_LIB_PATH="$("$PY" -c "import fourdst, os; print(os.pathsep.join(fourdst.get_lib_dirs()))")"
+          LD_LIBRARY_PATH="$FOURDST_LIB_PATH" auditwheel repair \
+            --exclude "libcomposition.so*" \
+            --exclude "liblogging.so*" \
+            --exclude "libconst.so*" \
+            --exclude "libreflect_cpp.so*" \
+            -w /io/wheels "$CURRENT_WHEEL"
+
+          REPAIRED="$(ls -t /io/wheels/*.whl | head -n1)"
+          if unzip -l "$REPAIRED" | grep -E "libcomposition|liblogging|libconst[^a-z]|libreflect_cpp"; then
+            echo "ERROR: repaired wheel contains vendored fourdst libraries"
+            exit 1
+          fi
+        else
+          auditwheel repair -w /io/wheels "$CURRENT_WHEEL"
+        fi
+
+        rm -rf "$BUILD_WHEEL_DIR"
       done
 
-      echo "✅ Linux wheels ready in /io/wheels"
+      echo "Linux wheels ready in /io/wheels"
     '
 done

utils/wheels/build-wheels-macos_aarch64.sh

@@ -1,74 +1,158 @@
 #!/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
 fi
 
-if [[ $# -ne 1 ]]; then
-  echo "Usage: $0 <git-repo-url>"
+if [[ $# -lt 1 ]]; then
+  echo "Usage: $0 <git-repo-url> [fourdst-wheels-dir]"
+  echo "  fourdst-wheels-dir: optional local directory of fourdst wheels to"
+  echo "  install from instead of PyPI (for bootstrapping a new fourdst+gridfire pair)"
   exit 1
 fi
 
-# 2. Setup Directories
+for TOOL in pyenv cmake git; do
+  if ! command -v "$TOOL" &> /dev/null; then
+    echo "Error: ${TOOL} not found."
+    exit 1
+  fi
+done
+
 REPO_URL="$1"
+LOCAL_FOURDST_WHEELS="${2:-}"
 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 "${WHEEL_DIR}"
 mkdir -p "${FINAL_WHEEL_DIR}"
 
+export MACOSX_DEPLOYMENT_TARGET=15.0
+
+LLVM_VER="17.0.6"
+LIBOMP_PREFIX="${WORK_DIR}/libomp-${MACOSX_DEPLOYMENT_TARGET}-${LLVM_VER}"
+
+if [[ ! -f "${LIBOMP_PREFIX}/lib/libomp.dylib" ]]; then
+  echo "➤ Building libomp ${LLVM_VER} for macOS ${MACOSX_DEPLOYMENT_TARGET} → ${LIBOMP_PREFIX}"
+  LIBOMP_SRC_DIR="$(mktemp -d)"
+  pushd "${LIBOMP_SRC_DIR}" > /dev/null
+
+  curl -fLO "https://github.com/llvm/llvm-project/releases/download/llvmorg-${LLVM_VER}/openmp-${LLVM_VER}.src.tar.xz"
+  curl -fLO "https://github.com/llvm/llvm-project/releases/download/llvmorg-${LLVM_VER}/cmake-${LLVM_VER}.src.tar.xz"
+  tar xf "openmp-${LLVM_VER}.src.tar.xz"
+  tar xf "cmake-${LLVM_VER}.src.tar.xz"
+  mv "cmake-${LLVM_VER}.src" cmake
+
+  cmake -S "openmp-${LLVM_VER}.src" -B libomp-build \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DCMAKE_OSX_DEPLOYMENT_TARGET="${MACOSX_DEPLOYMENT_TARGET}" \
+    -DCMAKE_OSX_ARCHITECTURES=arm64 \
+    -DCMAKE_INSTALL_PREFIX="${LIBOMP_PREFIX}" \
+    -DLIBOMP_INSTALL_ALIASES=OFF
+  cmake --build libomp-build -j "$(sysctl -n hw.ncpu)"
+  cmake --install libomp-build
+
+  popd > /dev/null
+  rm -rf "${LIBOMP_SRC_DIR}"
+fi
+
+LIBOMP_MINOS="$(otool -l "${LIBOMP_PREFIX}/lib/libomp.dylib" | awk '/minos/ {print $2; exit}')"
+if [[ "${LIBOMP_MINOS}" != "${MACOSX_DEPLOYMENT_TARGET}"* ]]; then
+  echo "Error: cached libomp at ${LIBOMP_PREFIX} targets macOS ${LIBOMP_MINOS}," \
+       "expected ${MACOSX_DEPLOYMENT_TARGET}. Delete the directory and re-run."
+  exit 1
+fi
+echo "➤ Using libomp ${LLVM_VER} (min macOS ${LIBOMP_MINOS}) from ${LIBOMP_PREFIX}"
+
+export CPPFLAGS="-I${LIBOMP_PREFIX}/include ${CPPFLAGS:-}"
+export LDFLAGS="-L${LIBOMP_PREFIX}/lib ${LDFLAGS:-}"
+export LIBRARY_PATH="${LIBOMP_PREFIX}/lib${LIBRARY_PATH:+:${LIBRARY_PATH}}"
+
 TMPDIR="$(mktemp -d)"
 echo "➤ Cloning ${REPO_URL} → ${TMPDIR}/project"
 git clone --depth 1 "${REPO_URL}" "${TMPDIR}/project"
 cd "${TMPDIR}/project"
 
-# 3. Build Configuration
-export MACOSX_DEPLOYMENT_TARGET=15.0
-
-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."
-    exit 1
+FOURDST_PIN="$(grep -oE 'fourdst==[0-9][0-9a-zA-Z.]*' pyproject.toml | head -n1 || true)"
+if [[ -n "${FOURDST_PIN}" ]]; then
+  echo "➤ Project depends on ${FOURDST_PIN}; wheel repair will exclude fourdst libraries"
 fi
+
+PYTHON_VERSIONS=("3.9.23" "3.10.18" "3.11.13" "3.12.11" "3.13.5" "3.14.0rc1" "3.14.0rc1t")
+
 eval "$(pyenv init -)"
 
-# 4. Build Loop
 for PY_VERSION in "${PYTHON_VERSIONS[@]}"; do
   (
     set -e
 
     pyenv shell "${PY_VERSION}"
     PY="$(pyenv which python)"
-    
+
     echo "----------------------------------------------------------------"
     echo "➤ Building for $($PY --version) on macOS arm64"
     echo "----------------------------------------------------------------"
 
-    # Install build deps explicitly so we can skip build isolation
     "$PY" -m pip install --upgrade pip setuptools wheel meson-python delocate
     "$PY" -m pip install meson==1.9.1
 
+    if [[ -n "${FOURDST_PIN}" ]]; then
+      if [[ -n "${LOCAL_FOURDST_WHEELS}" ]]; then
+        "$PY" -m pip install --force-reinstall \
+          --find-links "${LOCAL_FOURDST_WHEELS}" "${FOURDST_PIN}"
+      else
+        "$PY" -m pip install --force-reinstall "${FOURDST_PIN}"
+      fi
+    fi
+
     echo "➤ Building wheel with ccache enabled"
     echo "➤ Found meson version $(meson --version)"
 
-    # for every single build, saving significant I/O and network time.
-    CC="ccache clang" CXX="ccache clang++" "$PY" -m pip wheel . --no-build-isolation -w "${WHEEL_DIR}" -v
-
-    # We expect exactly one new wheel in the tmp dir per iteration
+    CC="ccache clang" CXX="ccache clang++" \
+      "$PY" -m pip wheel . --no-deps --no-build-isolation \
+        --config-settings=setup-args="-Dlibomp_prefix=${LIBOMP_PREFIX}" \
+        -w "${WHEEL_DIR}" -v
     CURRENT_WHEEL=$(find "${WHEEL_DIR}" -name "*.whl" | head -n 1)
 
     echo "➤ Repairing wheel with delocate"
-    # Delocate moves the repaired wheel to FINAL_WHEEL_DIR
-    delocate-wheel -w "${FINAL_WHEEL_DIR}" "$CURRENT_WHEEL"
+    DELOCATE_DYLD_PATH="${LIBOMP_PREFIX}/lib"
+    if [[ -n "${FOURDST_PIN}" ]]; then
+      FOURDST_LIB_PATH="$("$PY" -c 'import fourdst, os; print(os.pathsep.join(fourdst.get_lib_dirs()))')"
+      DELOCATE_DYLD_PATH="${FOURDST_LIB_PATH}:${DELOCATE_DYLD_PATH}"
+      DYLD_LIBRARY_PATH="${DELOCATE_DYLD_PATH}" \
+        delocate-wheel --require-archs arm64 \
+          -e composition -e logging -e const -e reflect_cpp \
+          -w "${FINAL_WHEEL_DIR}" -v "$CURRENT_WHEEL"
+    else
+      DYLD_LIBRARY_PATH="${DELOCATE_DYLD_PATH}" \
+        delocate-wheel --require-archs arm64 \
+          -w "${FINAL_WHEEL_DIR}" -v "$CURRENT_WHEEL"
+    fi
+
+    REPAIRED_WHEEL="${FINAL_WHEEL_DIR}/$(basename "$CURRENT_WHEEL")"
+
+    if [[ -n "${FOURDST_PIN}" ]]; then
+      if unzip -l "${REPAIRED_WHEEL}" | grep -E 'libcomposition|liblogging|libconst|libreflect_cpp'; then
+        echo "ERROR: repaired wheel contains vendored fourdst libraries"
+        exit 1
+      fi
+    fi
+    if unzip -l "${REPAIRED_WHEEL}" | grep -q 'libomp.dylib'; then
+      CHECK_DIR="$(mktemp -d)"
+      unzip -q "${REPAIRED_WHEEL}" '*/libomp.dylib' -d "${CHECK_DIR}" || true
+      BUNDLED_OMP="$(find "${CHECK_DIR}" -name 'libomp.dylib' | head -n1)"
+      BUNDLED_MINOS="$(otool -l "${BUNDLED_OMP}" | awk '/minos/ {print $2; exit}')"
+      rm -rf "${CHECK_DIR}"
+      if [[ "${BUNDLED_MINOS}" != "${MACOSX_DEPLOYMENT_TARGET}"* ]]; then
+        echo "ERROR: bundled libomp targets macOS ${BUNDLED_MINOS}, expected ${MACOSX_DEPLOYMENT_TARGET}"
+        exit 1
+      fi
+      echo "➤ Bundled libomp targets macOS ${BUNDLED_MINOS} ✓"
+    fi
 
-    # Clean up the intermediate wheel from this iteration so it doesn't confuse the next
     rm "$CURRENT_WHEEL"
   )
 done
@@ -77,4 +161,4 @@ done
 rm -rf "${TMPDIR}"
 rm -rf "${WHEEL_DIR}"
 
-echo "✅ All builds complete. Artifacts in ${FINAL_WHEEL_DIR}"
+echo "✅ All builds complete. Artifacts in ${FINAL_WHEEL_DIR}"