Loading CMakeLists.txt +8 −6 Original line number Diff line number Diff line Loading @@ -7,7 +7,7 @@ cmake_minimum_required(VERSION 3.16 FATAL_ERROR) #First pass automated version increment project(saline VERSION 0.2.0 VERSION 0.3.0 DESCRIPTION "MSTDB-TP API" LANGUAGES CXX ) Loading @@ -16,17 +16,19 @@ project(saline set(CMAKE_CXX_STANDARD 17) #c++20 is not fully supported on likely compilers set(CMAKE_CXX_STANDARD_REQUIRED ON) # # Declare options option(${PROJECT_NAME}_USE_EXTERNAL_JSON "Use an external JSON library" OFF) add_subdirectory(thirdparty) option(${PROJECT_NAME}_ENABLE_tests "Build tests" ON) option(${PROJECT_NAME}_ENABLE_hdf5 "Use hdf5" OFF) option(${PROJECT_NAME}_ENABLE_Fortran "Build Fortran bindings" ON) option(${PROJECT_NAME}_ENABLE_Python "Build Python bindings" ON) # Configure jsons add_subdirectory(thirdparty) # Configure the library add_subdirectory(src) # Testing is enabled unless explicitly turned off if( NOT DEFINED ${PROJECT_NAME}_ENABLE_tests ) set(${PROJECT_NAME}_ENABLE_tests ON) endif() if (${PROJECT_NAME}_ENABLE_tests ) include(CTest) add_subdirectory(tests) Loading CMakePresets.json 0 → 100644 +404 −0 Original line number Diff line number Diff line { "version": 8, "cmakeMinimumRequired": { "major": 3, "minor": 24, "patch": 0 }, "configurePresets": [ { "name": "base", "displayName": "Base", "description": "Base configuration, inherited by all other presets", "hidden": true, "generator": "Ninja", "binaryDir": "${sourceDir}/build/${presetName}", "cacheVariables": { "CMAKE_EXPORT_COMPILE_COMMANDS": "ON" }, "warnings": { "dev": true, "deprecated": true } }, { "name": "debug", "displayName": "Debug", "description": "Debug build (Ninja)", "hidden": true, "inherits": "base", "cacheVariables": { "CMAKE_BUILD_TYPE": "Debug" } }, { "name": "release", "displayName": "Release", "description": "Release build (Ninja)", "hidden": true, "inherits": "base", "cacheVariables": { "CMAKE_BUILD_TYPE": "Release" } }, { "name": "relwithdebinfo", "displayName": "RelWithDebInfo", "description": "Optimized build with debug info (Ninja)", "hidden": true, "inherits": "base", "cacheVariables": { "CMAKE_BUILD_TYPE": "RelWithDebInfo" } }, { "name": "macos-clang-debug", "displayName": "macOS Clang Debug (arm64)", "inherits": "debug", "toolchainFile": "toolchains/macos-clang-arm64.cmake" }, { "name": "macos-clang-release", "displayName": "macOS Clang Release (arm64)", "inherits": "release", "toolchainFile": "toolchains/macos-clang-arm64.cmake" }, { "name": "macos-clang-relwithdebinfo", "displayName": "macOS Clang RelWithDebInfo (arm64)", "inherits": "relwithdebinfo", "toolchainFile": "toolchains/macos-clang-arm64.cmake" }, { "name": "linux-gcc-debug", "displayName": "linux gcc Debug (arm64)", "inherits": "debug", "toolchainFile": "toolchains/linux-gcc-arm64.cmake" }, { "name": "linux-gcc-release", "displayName": "linux gcc Release (arm64)", "inherits": "release", "toolchainFile": "toolchains/linux-gcc-arm64.cmake" }, { "name": "linux-gcc-relwithdebinfo", "displayName": "linux gcc RelWithDebInfo (arm64)", "inherits": "relwithdebinfo", "toolchainFile": "toolchains/linux-gcc-arm64.cmake" }, { "name": "win-ifort-debug", "displayName": "Windows MSVC + ifort (Debug)", "inherits": "debug", "toolchainFile": "toolchains/windows-msvc-ifort.cmake", "cacheVariables": { "CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS" : "TRUE" } }, { "name": "win-ifort-release", "displayName": "Windows MSVC + ifort (Release)", "inherits": "release", "toolchainFile": "toolchains/windows-msvc-ifort.cmake", "cacheVariables": { "CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS" : "TRUE" } }, { "name": "win-ifort-relwithdebinfo", "displayName": "Windows MSVC + ifort (RelWithDebInfo)", "inherits": "relwithdebinfo", "toolchainFile": "toolchains/windows-msvc-ifort.cmake", "cacheVariables": { "CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS" : "TRUE" } }, { "name": "win-debug", "inherits": "win-ifort-debug" }, { "name": "win-release", "inherits": "win-ifort-release" }, { "name": 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"inherits" : "linux-gcc-debug" }, { "name": "linux-release", "inherits" : "linux-gcc-release" }, { "name": "linux-relwithdebinfo", "inherits" : "linux-gcc-relwithdebinfo" }, { "name": "win-ifort-debug", "displayName": "Build Windows MSVC + ifort Debug", "configurePreset": "win-ifort-debug", "configuration": "Debug", "targets" : ["all","SalinePy_wheel" ] }, { "name": "win-ifort-release", "displayName": "Build Windows MSVC + ifort Release", "configurePreset": "win-ifort-release", "configuration": "Release", "targets" : ["all","SalinePy_wheel" ] }, { "name": "win-ifort-relwithdebinfo", "displayName": "Build Windows MSVC + ifort RelWithDebInfo", "configurePreset": "win-ifort-relwithdebinfo", "configuration": "RelWithDebInfo", "targets" : ["all","SalinePy_wheel" ] }, { "name": "win-debug", "inherits" : "win-ifort-debug" }, { "name": "win-release", "inherits" : "win-ifort-release" }, { "name": "win-relwithdebinfo", "inherits" : "win-ifort-relwithdebinfo" }, { "name": "vs2022-debug", 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} }, { "name": "macos-clang-relwithdebinfo", "displayName": "Build RelWithDebInfo", "configurePreset": "macos-clang-relwithdebinfo", "configuration": "RelWithDebInfo", "output": { "outputOnFailure": true } }, { "name": "macos-debug", "inherits" : "macos-clang-debug" }, { "name": "macos-release", "inherits" : "macos-clang-release" }, { "name": "macos-relwithdebinfo", "inherits" : "macos-clang-relwithdebinfo" }, { "name": "linux-gcc-debug", "displayName": "Build Debug", "configurePreset": "linux-gcc-debug", "configuration": "Debug", "output": { "outputOnFailure": true } }, { "name": "linux-gcc-release", "displayName": "Build Release", "configurePreset": "linux-gcc-release", "configuration": "Release", "output": { "outputOnFailure": true } }, { "name": "linux-gcc-relwithdebinfo", "displayName": "Build RelWithDebInfo", "configurePreset": "linux-gcc-relwithdebinfo", "configuration": "RelWithDebInfo", "output": { "outputOnFailure": true } }, { "name": "linux-debug", "inherits" : "linux-gcc-debug" }, { "name": "linux-release", "inherits" : "linux-gcc-release" }, { "name": "linux-relwithdebinfo", "inherits" : "linux-gcc-relwithdebinfo" }, { "name": "win-ifort-debug", "displayName": "Build Windows MSVC + ifort Debug", "configurePreset": "win-ifort-debug", "configuration": "Debug", "output": { "outputOnFailure": true } }, { "name": "win-ifort-release", "displayName": "Build Windows MSVC + ifort Release", "configurePreset": "win-ifort-release", "configuration": "Release", "output": { "outputOnFailure": true } }, { "name": "win-ifort-relwithdebinfo", "displayName": "Build Windows MSVC + ifort RelWithDebInfo", "configurePreset": "win-ifort-relwithdebinfo", "configuration": "RelWithDebInfo", "output": { "outputOnFailure": true } }, { "name": "vs2022-debug", "displayName": "CTest VS 2022 Debug", "configurePreset": "vs2022-debug", "configuration": "Debug", "output": { "outputOnFailure": true } }, { "name": "xcode-debug", "displayName": "CTest Xcode Debug", "configurePreset": "xcode-debug", "configuration": "Debug", "output": { "outputOnFailure": true } } ] } include/r_kister_data_store.hh +0 −3 Original line number Diff line number Diff line Loading @@ -15,9 +15,6 @@ #include <string> #include <vector> #ifdef SALINE_USE_HDF5 #include <hdf5.h> #endif #include "data_store.hh" #include "default_data_store.hh" Loading src/CMakeLists.txt +0 −6 Original line number Diff line number Diff line Loading @@ -33,18 +33,12 @@ target_sources(${PROJECT_NAME} PRIVATE target_link_libraries(saline PRIVATE nlohmann_json::nlohmann_json) # The Fortran wrapper, this is linked into the main library when configured if (NOT DEFINED ${PROJECT_NAME}_ENABLE_Fortran ) set(${PROJECT_NAME}_ENABLE_Fortran OFF) endif() if( ${PROJECT_NAME}_ENABLE_Fortran ) add_subdirectory(fortran) target_sources(${PROJECT_NAME} PRIVATE "$<TARGET_OBJECTS:ForSaline>") endif() # The Python wrapper, this is currently a separate library due to python conventions if (NOT DEFINED ${PROJECT_NAME}_ENABLE_Python ) set(${PROJECT_NAME}_ENABLE_Python OFF) endif() if( ${PROJECT_NAME}_ENABLE_Python ) add_subdirectory(python) endif() Loading src/cpp/default_data_store.cc +24 −22 Original line number Diff line number Diff line Loading @@ -4,9 +4,9 @@ #include <sstream> #include <stdexcept> #include <nlohmann/json.hpp> #include "nlohmann/json.hpp" #ifdef SALINE_USE_HDF5 #include <hdf5.h> #include "hdf5.h" #endif #include "default_data_store.hh" Loading Loading @@ -223,7 +223,8 @@ void Default_Data_Store::load(const std::string &fPath) { } else if (inFile.is_open()) { load(inFile); // Make something that dumps supported file types std::cout << "salineWarn: Loading a csv is deprecated, use json instead!" << std::endl; std::cout << "salineWarn: Loading a csv is deprecated, use json instead!" << std::endl; } else { throw std::runtime_error("Falied to open input file: " + fPath); } Loading Loading @@ -978,7 +979,8 @@ std::string Default_Data_Store::to_json() const { oss << dat.m_mole_percents.back(); } to_json(dat); j["MSTDBTP"]["evaluated"][key][oss.str()] = nlohmann::json::parse(to_json(dat)); j["MSTDBTP"]["evaluated"][key][oss.str()] = nlohmann::json::parse(to_json(dat)); } } return j.dump(); Loading Loading
CMakeLists.txt +8 −6 Original line number Diff line number Diff line Loading @@ -7,7 +7,7 @@ cmake_minimum_required(VERSION 3.16 FATAL_ERROR) #First pass automated version increment project(saline VERSION 0.2.0 VERSION 0.3.0 DESCRIPTION "MSTDB-TP API" LANGUAGES CXX ) Loading @@ -16,17 +16,19 @@ project(saline set(CMAKE_CXX_STANDARD 17) #c++20 is not fully supported on likely compilers set(CMAKE_CXX_STANDARD_REQUIRED ON) # # Declare options option(${PROJECT_NAME}_USE_EXTERNAL_JSON "Use an external JSON library" OFF) add_subdirectory(thirdparty) option(${PROJECT_NAME}_ENABLE_tests "Build tests" ON) option(${PROJECT_NAME}_ENABLE_hdf5 "Use hdf5" OFF) option(${PROJECT_NAME}_ENABLE_Fortran "Build Fortran bindings" ON) option(${PROJECT_NAME}_ENABLE_Python "Build Python bindings" ON) # Configure jsons add_subdirectory(thirdparty) # Configure the library add_subdirectory(src) # Testing is enabled unless explicitly turned off if( NOT DEFINED ${PROJECT_NAME}_ENABLE_tests ) set(${PROJECT_NAME}_ENABLE_tests ON) endif() if (${PROJECT_NAME}_ENABLE_tests ) include(CTest) add_subdirectory(tests) Loading
CMakePresets.json 0 → 100644 +404 −0 Original line number Diff line number Diff line { "version": 8, "cmakeMinimumRequired": { "major": 3, "minor": 24, "patch": 0 }, "configurePresets": [ { "name": "base", "displayName": "Base", "description": "Base configuration, inherited by all other presets", "hidden": true, "generator": "Ninja", "binaryDir": "${sourceDir}/build/${presetName}", "cacheVariables": { "CMAKE_EXPORT_COMPILE_COMMANDS": "ON" }, "warnings": { "dev": true, "deprecated": true } }, { "name": "debug", "displayName": "Debug", "description": "Debug build (Ninja)", "hidden": true, "inherits": "base", "cacheVariables": { "CMAKE_BUILD_TYPE": "Debug" } }, { "name": "release", "displayName": "Release", "description": "Release build (Ninja)", "hidden": true, "inherits": "base", "cacheVariables": { "CMAKE_BUILD_TYPE": "Release" } }, { "name": "relwithdebinfo", "displayName": "RelWithDebInfo", "description": "Optimized build with debug info (Ninja)", "hidden": true, "inherits": "base", "cacheVariables": { "CMAKE_BUILD_TYPE": "RelWithDebInfo" } }, { "name": "macos-clang-debug", "displayName": "macOS Clang Debug (arm64)", "inherits": "debug", "toolchainFile": "toolchains/macos-clang-arm64.cmake" }, { "name": "macos-clang-release", "displayName": "macOS Clang Release (arm64)", "inherits": "release", "toolchainFile": "toolchains/macos-clang-arm64.cmake" }, { "name": "macos-clang-relwithdebinfo", "displayName": "macOS Clang RelWithDebInfo (arm64)", "inherits": "relwithdebinfo", "toolchainFile": "toolchains/macos-clang-arm64.cmake" }, { "name": "linux-gcc-debug", "displayName": "linux gcc Debug (arm64)", "inherits": "debug", "toolchainFile": "toolchains/linux-gcc-arm64.cmake" }, { "name": "linux-gcc-release", "displayName": "linux gcc Release (arm64)", "inherits": "release", "toolchainFile": "toolchains/linux-gcc-arm64.cmake" }, { "name": "linux-gcc-relwithdebinfo", "displayName": "linux gcc RelWithDebInfo (arm64)", "inherits": "relwithdebinfo", "toolchainFile": "toolchains/linux-gcc-arm64.cmake" }, { "name": "win-ifort-debug", "displayName": "Windows MSVC + ifort (Debug)", "inherits": "debug", "toolchainFile": "toolchains/windows-msvc-ifort.cmake", "cacheVariables": { "CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS" : "TRUE" } }, { "name": "win-ifort-release", "displayName": "Windows MSVC + ifort (Release)", "inherits": "release", "toolchainFile": "toolchains/windows-msvc-ifort.cmake", "cacheVariables": { "CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS" : "TRUE" } }, { "name": "win-ifort-relwithdebinfo", "displayName": "Windows MSVC + ifort (RelWithDebInfo)", "inherits": "relwithdebinfo", "toolchainFile": "toolchains/windows-msvc-ifort.cmake", "cacheVariables": { "CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS" : "TRUE" } }, { "name": "win-debug", "inherits": "win-ifort-debug" }, { "name": "win-release", "inherits": "win-ifort-release" }, { "name": "win-relwithdebinfo", "inherits": "win-ifort-relwithdebinfo" }, { "name": "vs2022-debug", "displayName": "VS 2022 Debug", "description": 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include/r_kister_data_store.hh +0 −3 Original line number Diff line number Diff line Loading @@ -15,9 +15,6 @@ #include <string> #include <vector> #ifdef SALINE_USE_HDF5 #include <hdf5.h> #endif #include "data_store.hh" #include "default_data_store.hh" Loading
src/CMakeLists.txt +0 −6 Original line number Diff line number Diff line Loading @@ -33,18 +33,12 @@ target_sources(${PROJECT_NAME} PRIVATE target_link_libraries(saline PRIVATE nlohmann_json::nlohmann_json) # The Fortran wrapper, this is linked into the main library when configured if (NOT DEFINED ${PROJECT_NAME}_ENABLE_Fortran ) set(${PROJECT_NAME}_ENABLE_Fortran OFF) endif() if( ${PROJECT_NAME}_ENABLE_Fortran ) add_subdirectory(fortran) target_sources(${PROJECT_NAME} PRIVATE "$<TARGET_OBJECTS:ForSaline>") endif() # The Python wrapper, this is currently a separate library due to python conventions if (NOT DEFINED ${PROJECT_NAME}_ENABLE_Python ) set(${PROJECT_NAME}_ENABLE_Python OFF) endif() if( ${PROJECT_NAME}_ENABLE_Python ) add_subdirectory(python) endif() Loading
src/cpp/default_data_store.cc +24 −22 Original line number Diff line number Diff line Loading @@ -4,9 +4,9 @@ #include <sstream> #include <stdexcept> #include <nlohmann/json.hpp> #include "nlohmann/json.hpp" #ifdef SALINE_USE_HDF5 #include <hdf5.h> #include "hdf5.h" #endif #include "default_data_store.hh" Loading Loading @@ -223,7 +223,8 @@ void Default_Data_Store::load(const std::string &fPath) { } else if (inFile.is_open()) { load(inFile); // Make something that dumps supported file types std::cout << "salineWarn: Loading a csv is deprecated, use json instead!" << std::endl; std::cout << "salineWarn: Loading a csv is deprecated, use json instead!" << std::endl; } else { throw std::runtime_error("Falied to open input file: " + fPath); } Loading Loading @@ -978,7 +979,8 @@ std::string Default_Data_Store::to_json() const { oss << dat.m_mole_percents.back(); } to_json(dat); j["MSTDBTP"]["evaluated"][key][oss.str()] = nlohmann::json::parse(to_json(dat)); j["MSTDBTP"]["evaluated"][key][oss.str()] = nlohmann::json::parse(to_json(dat)); } } return j.dump(); Loading