feat(libconfig): new version of libconfig

.gitignore

@@ -82,6 +82,7 @@ subprojects/cvode-*/
 subprojects/kinsol-*/
 subprojects/CLI11-*/
 subprojects/openssl-*/
+subprojects/tomlplusplus-*/
 *.fbundle
 *.wraplock
 
@@ -98,6 +99,8 @@ liblogging.wrap
 libplugin.wrap
 minizip-ng.wrap
 openssl.wrap
+glaze.wrap
+tomlplusplus.wrap
 
 .vscode/
 

build-config/fourdst/meson.build

@@ -30,7 +30,6 @@ endif
 
 libcomposition = fourdst_sp.get_variable('libcomposition')
 libconst = fourdst_sp.get_variable('libconst')
-libconfig = fourdst_sp.get_variable('libconfig')
 liblogging = fourdst_sp.get_variable('liblogging')
 
 if get_option('plugin_support')

build-extra/pkg-config/meson.build

@@ -8,7 +8,6 @@ if get_option('pkg_config')
         libraries: [
             libgridfire,
             libcomposition,
-            libconfig,
             libconst,
             liblogging
         ],

meson.build

@@ -38,6 +38,8 @@ subdir('build-python')
 # Buil the test suite
 subdir('tests')
 
+subdir('tools')
+
 # Build the pkg-config file
 subdir('build-extra/pkg-config')
 

meson_options.txt

@@ -8,3 +8,4 @@ option('unsafe_fortran', type: 'boolean', value: false, description: 'Allow unte
 option('plugin_support', type: 'boolean', value: false, description: 'Enable support for libplugin plugins')
 option('python_target_version', type: 'string', value: '3.13', description: 'Target version for python compilation, only used for cross compilation')
 option('build_c_api', type: 'boolean', value: true, description: 'compile the C API')
+option('build_tools', type: 'boolean', value: true, description: 'build the GridFire command line tools')

src/include/gridfire/config/config.h

@@ -0,0 +1,35 @@
+#pragma once
+
+#include "fourdst/config/config.h"
+
+namespace gridfire::config {
+    struct CVODESolverConfig {
+        double absTol = 1.0e-8;
+        double relTol = 1.0e-5;
+    };
+
+    struct SolverConfig {
+        CVODESolverConfig cvode;
+    };
+
+    struct AdaptiveEngineViewConfig {
+        double relativeCullingThreshold = 1.0e-75;
+    };
+
+    struct EngineViewConfig {
+        AdaptiveEngineViewConfig adaptiveEngineView;
+    };
+
+    struct EngineConfig {
+        EngineViewConfig views;
+
+    };
+
+    struct GridFireConfig {
+        SolverConfig solver;
+        EngineConfig engine;
+    };
+
+
+
+}

src/include/gridfire/engine/engine_graph.h

@@ -12,6 +12,7 @@
 #include "gridfire/screening/screening_types.h"
 #include "gridfire/partition/partition_abstract.h"
 #include "gridfire/engine/procedures/construction.h"
+#include "gridfire/config/config.h"
 
 #include <string>
 #include <unordered_map>
@@ -855,7 +856,7 @@ namespace gridfire::engine {
             const GraphEngine& m_engine;
         };
     private:
-        Config& m_config = Config::getInstance();
+        Config<config::GridFireConfig> m_config;
         quill::Logger* m_logger = LogManager::getInstance().getLogger("log");
 
         constants m_constants;

src/include/gridfire/engine/views/engine_adaptive.h

@@ -4,6 +4,7 @@
 #include "gridfire/screening/screening_abstract.h"
 #include "gridfire/screening/screening_types.h"
 #include "gridfire/types/types.h"
+#include "gridfire/config/config.h"
 
 #include "fourdst/atomic/atomicSpecies.h"
 #include "fourdst/config/config.h"
@@ -386,10 +387,10 @@ namespace gridfire::engine {
          */
         [[nodiscard]] SpeciesStatus getSpeciesStatus(const fourdst::atomic::Species &species) const override;
     private:
-        using Config = fourdst::config::Config;
         using LogManager = fourdst::logging::LogManager;
-        /** @brief A reference to the singleton Config instance, used for retrieving configuration parameters. */
+
-        Config& m_config = Config::getInstance();
+        fourdst::config::Config<config::GridFireConfig> m_config;
+
         /** @brief A pointer to the logger instance, used for logging messages. */
         quill::Logger* m_logger = LogManager::getInstance().getLogger("log");
 

src/include/gridfire/engine/views/engine_defined.h

@@ -6,6 +6,8 @@
 #include "gridfire/io/network_file.h"
 #include "gridfire/types/types.h"
 
+#include "gridfire/config/config.h"
+
 #include "fourdst/config/config.h"
 #include "fourdst/logging/logging.h"
 
@@ -365,9 +367,9 @@ namespace gridfire::engine {
         [[nodiscard]] std::string getNetworkFile() const { return m_fileName; }
         [[nodiscard]] const io::NetworkFileParser& getParser() const { return m_parser; }
     private:
-        using Config = fourdst::config::Config;
+        using LogManager = LogManager;
-        using LogManager = fourdst::logging::LogManager;
+        Config<config::GridFireConfig> m_config;
-        Config& m_config = Config::getInstance();
+
         quill::Logger* m_logger = LogManager::getInstance().getLogger("log");
         std::string m_fileName;
         ///< Parser for the network file.

src/include/gridfire/io/network_file.h

@@ -2,6 +2,7 @@
 
 #include "fourdst/config/config.h"
 #include "fourdst/logging/logging.h"
+#include "gridfire/config/config.h"
 
 #include "quill/Logger.h"
 
@@ -101,9 +102,8 @@ namespace gridfire::io {
          */
         [[nodiscard]] ParsedNetworkData parse(const std::string& filename) const override;
     private:
-        using Config = fourdst::config::Config;
         using LogManager = fourdst::logging::LogManager;
-        Config& m_config = Config::getInstance();
+        fourdst::config::Config<config::GridFireConfig> m_config;
         quill::Logger* m_logger = LogManager::getInstance().getLogger("log");
     };
 
@@ -141,9 +141,8 @@ namespace gridfire::io {
          */
         [[nodiscard]] ParsedNetworkData parse(const std::string& filename) const override;
     private:
-        using Config = fourdst::config::Config;
         using LogManager = fourdst::logging::LogManager;
-        Config& m_config = Config::getInstance();
+        fourdst::config::Config<config::GridFireConfig> m_config;
         quill::Logger* m_logger = LogManager::getInstance().getLogger("log");
 
         std::string m_filename;

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

@@ -4,6 +4,7 @@
 #include "gridfire/engine/engine_abstract.h"
 #include "gridfire/types/types.h"
 #include "gridfire/exceptions/exceptions.h"
+#include "gridfire/config/config.h"
 
 #include "fourdst/atomic/atomicSpecies.h"
 #include "fourdst/config/config.h"
@@ -243,7 +244,7 @@ namespace gridfire::solver {
         };
 
     private:
-        fourdst::config::Config& m_config = fourdst::config::Config::getInstance();
+        fourdst::config::Config<config::GridFireConfig> m_config;
         quill::Logger* m_logger = fourdst::logging::LogManager::getInstance().getLogger("log");
         /**
          * @brief CVODE RHS C-wrapper that delegates to calculate_rhs and captures exceptions.

src/lib/engine/views/engine_adaptive.cpp

@@ -394,7 +394,9 @@ namespace gridfire::engine {
         const double maxFlow
     ) const {
         LOG_TRACE_L1(m_logger, "Culling reactions based on flow rates...");
-        const auto relative_culling_threshold = m_config.get<double>("gridfire:AdaptiveEngineView:RelativeCullingThreshold", 1e-75);
+
+        const auto relative_culling_threshold = m_config->engine.views.adaptiveEngineView.relativeCullingThreshold;
+
         double absoluteCullingThreshold = relative_culling_threshold * maxFlow;
         LOG_DEBUG(m_logger, "Relative culling threshold: {:7.3E} ({:7.3E})", relative_culling_threshold, absoluteCullingThreshold);
         std::vector<const reaction::Reaction*> culledReactions;

src/lib/solver/strategies/CVODE_solver_strategy.cpp

@@ -112,8 +112,8 @@ namespace gridfire::solver {
         //  2. If the user has set tolerances in code, those override the config
         //  3. If the user has not set tolerances in code and the config does not have them, use hardcoded defaults
 
-        auto absTol = m_config.get<double>("gridfire:solver:CVODESolverStrategy:absTol", 1.0e-8);
+        auto absTol = m_config->solver.cvode.absTol;
-        auto relTol = m_config.get<double>("gridfire:solver:CVODESolverStrategy:relTol", 1.0e-5);
+        auto relTol = m_config->solver.cvode.relTol;
 
         if (m_absTol) {
             absTol = *m_absTol;
@@ -935,8 +935,8 @@ namespace gridfire::solver {
         sunrealtype *y_data = N_VGetArrayPointer(m_Y);
         sunrealtype *y_err_data = N_VGetArrayPointer(m_YErr);
 
-        const auto absTol = m_config.get<double>("gridfire:solver:CVODESolverStrategy:absTol", 1.0e-8);
+        const auto absTol = m_config->solver.cvode.absTol;
-        const auto relTol = m_config.get<double>("gridfire:solver:CVODESolverStrategy:relTol", 1.0e-8);
+        const auto relTol = m_config->solver.cvode.relTol;
 
         std::vector<double> err_ratios;
         const size_t num_components = N_VGetLength(m_Y);

subprojects/fourdst.wrap

@@ -1,4 +1,4 @@
 [wrap-git]
 url = https://github.com/4D-STAR/fourdst
-revision = v0.9.13
+revision = v0.9.14
 depth = 1

tests/graphnet_sandbox/meson.build

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

tools/config/generate_config_files.cpp

@@ -0,0 +1,48 @@
+#include "fourdst/config/config.h"
+#include "gridfire/config/config.h"
+#include <source_location>
+#include <filesystem>
+
+#include  "CLI/CLI.hpp"
+
+consteval std::string_view strip_namespaces(const std::string_view fullName) {
+    const size_t pos = fullName.rfind("::");
+    if (pos == std::string_view::npos) {
+        return fullName;
+    }
+    return fullName.substr(pos + 2);
+}
+
+template <typename T>
+consteval std::string_view get_type_name() {
+    constexpr std::string_view name = std::source_location::current().function_name();
+    const auto pos = name.find("T = ");
+    if (pos == std::string_view::npos) return name;
+    const auto start = pos + 4;
+    const auto end = name.rfind(']');
+    return name.substr(start, end - start);
+}
+
+int main(int argc, char** argv) {
+    CLI::App app{"GridFire Sandbox Application."};
+
+    std::string outputPath = ".";
+
+    app.add_option("-p,--path", outputPath, "path to save generated config files (default: current directory)");
+
+    CLI11_PARSE(app, argc, argv);
+
+    const std::filesystem::path outPath(outputPath);
+    if (!std::filesystem::exists(outPath)) {
+        std::cerr << "Error: The specified path does not exist: " << outputPath << std::endl;
+        return 1;
+    }
+
+    fourdst::config::Config<gridfire::config::GridFireConfig> configConfig;
+    const std::string_view name = strip_namespaces(get_type_name<gridfire::config::GridFireConfig>());
+
+    const std::string defaultConfigFilePath = (outPath / (std::string(name) + ".toml")).string();
+    const std::string schemaFilePath = (outPath / (std::string(name) + ".schema.json")).string();
+    configConfig.save(defaultConfigFilePath);
+    configConfig.save_schema(schemaFilePath);
+}

tools/config/meson.build

@@ -0,0 +1 @@
+executable('gf_generate_config_file', 'generate_config_files.cpp', dependencies: [gridfire_dep, cli11_dep], install: true)

tools/meson.build

@@ -0,0 +1,3 @@
+if get_option('build_tools')
+    subdir('config')
+endif