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Create CollectBuildInfoVars.cmake
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‎cmake/CollectBuildInfoVars.cmake‎

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# =============================================================================
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# This script is included to set all build information variables in the
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# calling scope. It does not use a function to avoid variable scope issues.
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# ==============================================================================
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# --- 1. Collect Basic Build Information ---
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if(NOT CMAKE_BUILD_TYPE)
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set(ABACUS_BUILD_TYPE "Custom (no CMAKE_BUILD_TYPE)")
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else()
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set(ABACUS_BUILD_TYPE ${CMAKE_BUILD_TYPE})
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endif()
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if(DEFINED ENV{USER})
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set(ABACUS_BUILD_USER "$ENV{USER}")
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else()
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set(ABACUS_BUILD_USER "Unknown")
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endif()
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site_name(ABACUS_BUILD_HOST)
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set(ABACUS_CXX_COMPILER_ID ${CMAKE_CXX_COMPILER_ID})
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set(ABACUS_CXX_COMPILER_PATH ${CMAKE_CXX_COMPILER})
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set(ABACUS_CXX_COMPILER_VERSION ${CMAKE_CXX_COMPILER_VERSION})
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set(TEMP_CXX_FLAGS_LIST "${CMAKE_CXX_FLAGS}")
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#if(DEFINED CMAKE_BUILD_TYPE)
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# string(TOUPPER ${CMAKE_BUILD_TYPE} CMAKE_BUILD_TYPE_UPPER)
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# list(APPEND TEMP_CXX_FLAGS_LIST "${CMAKE_CXX_FLAGS_${CMAKE_BUILD_TYPE_UPPER}}")
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#endif()
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string(REPLACE ";" " " ABACUS_CXX_FLAGS "${TEMP_CXX_FLAGS_LIST}")
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set(TEMP_LINKER_FLAGS_LIST "${CMAKE_EXE_LINKER_FLAGS}")
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#if(DEFINED CMAKE_BUILD_TYPE)
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# string(TOUPPER ${CMAKE_BUILD_TYPE} CMAKE_BUILD_TYPE_UPPER)
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# list(APPEND TEMP_LINKER_FLAGS_LIST "${CMAKE_EXE_LINKER_FLAGS_${CMAKE_BUILD_TYPE_UPPER}}")
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#endif()
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string(REPLACE ";" " " ABACUS_LINKER_FLAGS "${TEMP_LINKER_FLAGS_LIST}")
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set(TEMP_CUDA_FLAGS_LIST "${CMAKE_EXE_CUDA_FLAGS}")
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string(REPLACE ";" " " ABACUS_CUDA_FLAGS "${TEMP_CUDA_FLAGS_LIST}")
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# --- 2. Determine Target Platform ---
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if(USE_DSP)
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set(ABACUS_PLATFORM_NAME "DSP")
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elseif(USE_SW)
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set(ABACUS_PLATFORM_NAME "CPU + SW-MATH")
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elseif(USE_CUDA_ON_DCU)
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set(ABACUS_PLATFORM_NAME "CPU + DCU (Hygon CUDA)")
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elseif(USE_CUDA)
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set(ABACUS_PLATFORM_NAME "CPU + NVIDIA CUDA")
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elseif(USE_ROCM)
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set(ABACUS_PLATFORM_NAME "CPU + AMD ROCm")
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else()
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set(ABACUS_PLATFORM_NAME "CPU")
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endif()
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# --- 3. Sanitizers & Debugging ---
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if(ENABLE_ASAN)
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set(ABACUS_ASAN_STATUS "yes")
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else()
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set(ABACUS_ASAN_STATUS "no")
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endif()
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if(CMAKE_BUILD_TYPE STREQUAL "Debug")
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set(ABACUS_DEBUG_SYMBOLS "yes")
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else()
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set(ABACUS_DEBUG_SYMBOLS "no")
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endif()
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# --- 4. Get Dependency Versions (Enhanced with path fallback) ---
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# MPI Implementation and Version
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set(ABACUS_MPI_IMPLEMENTATION "no")
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set(ABACUS_MPI_VERSION "no")
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set(ABACUS_CUDA_AWARE_MPI "no")
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if(ENABLE_MPI)
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execute_process(COMMAND ${MPI_CXX_COMPILER} --version OUTPUT_VARIABLE MPI_VERSION_OUTPUT OUTPUT_STRIP_TRAILING_WHITESPACE ERROR_QUIET)
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if(MPI_VERSION_OUTPUT MATCHES "Intel")
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set(ABACUS_MPI_IMPLEMENTATION "Intel MPI")
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string(REGEX MATCH "Intel\\(R\\) oneAPI DPC\\+\\+/C\\+\\+ Compiler ([0-9]+\\.[0-9]+\\.[0-9]+)" _ "${MPI_VERSION_OUTPUT}")
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if(CMAKE_MATCH_1)
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set(MPI_DETECTED_VERSION "${CMAKE_MATCH_1}")
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else()
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string(REGEX MATCH "icpc \\(ICC\\) ([0-9]+\\.[0-9]+\\.[0-9]+)" _ "${MPI_VERSION_OUTPUT}")
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if(CMAKE_MATCH_1)
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set(MPI_DETECTED_VERSION "${CMAKE_MATCH_1}")
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endif()
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endif()
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elseif(MPI_VERSION_OUTPUT MATCHES "Open MPI")
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set(ABACUS_MPI_IMPLEMENTATION "OpenMPI")
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elseif(MPI_VERSION_OUTPUT MATCHES "MPICH")
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set(ABACUS_MPI_IMPLEMENTATION "MPICH")
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else()
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set(ABACUS_MPI_IMPLEMENTATION "Unknown")
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endif()
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if(MPI_DETECTED_VERSION)
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set(ABACUS_MPI_VERSION "yes (v${MPI_DETECTED_VERSION})")
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elseif(MPI_VERSION)
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set(ABACUS_MPI_VERSION "yes (v${MPI_VERSION})")
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else()
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set(ABACUS_MPI_VERSION "yes (version unknown)")
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endif()
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if(USE_CUDA)
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execute_process(COMMAND ${MPI_CXX_COMPILER} -showme:compile OUTPUT_VARIABLE MPI_COMPILE_FLAGS OUTPUT_STRIP_TRAILING_WHITESPACE ERROR_QUIET)
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if(MPI_COMPILE_FLAGS MATCHES "cuda" OR MPI_COMPILE_FLAGS MATCHES "CUDA")
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set(ABACUS_CUDA_AWARE_MPI "yes (likely)")
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else()
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set(ABACUS_CUDA_AWARE_MPI "no (or undetectable)")
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endif()
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else()
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set(ABACUS_CUDA_AWARE_MPI "no (CUDA not enabled)")
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endif()
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endif()
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# OpenMP Version
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if(USE_OPENMP AND OpenMP_CXX_VERSION)
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set(ABACUS_OPENMP_VERSION "yes (v${OpenMP_CXX_VERSION})")
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elseif(USE_OPENMP)
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set(ABACUS_OPENMP_VERSION "yes (version unknown)")
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else()
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set(ABACUS_OPENMP_VERSION "no")
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endif()
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# Core Math Libraries
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if(ENABLE_LCAO AND USE_ELPA)
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set(ABACUS_ELPA_VERSION "yes (version unknown)")
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if(ELPA_VERSION)
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set(ABACUS_ELPA_VERSION "yes (v${ELPA_VERSION})")
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else()
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find_program(ELPA_VERSION_EXE elpa2_print_version PATHS ${ELPA_DIR}/bin NO_DEFAULT_PATH)
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if(ELPA_VERSION_EXE)
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execute_process(COMMAND ${ELPA_VERSION_EXE} OUTPUT_VARIABLE ELPA_VER_RAW OUTPUT_STRIP_TRAILING_WHITESPACE ERROR_QUIET)
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if(ELPA_VER_RAW)
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set(ABACUS_ELPA_VERSION "yes (${ELPA_VER_RAW})")
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endif()
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endif()
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endif()
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if(ABACUS_ELPA_VERSION STREQUAL "yes (version unknown)" AND ELPA_DIR)
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set(ABACUS_ELPA_VERSION "yes (path: ${ELPA_DIR})")
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endif()
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else()
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set(ABACUS_ELPA_VERSION "no")
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endif()
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if(MKLROOT)
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set(ABACUS_MKL_SUPPORT "yes (version unknown)")
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find_path(MKL_VERSION_HEADER mkl_version.h PATHS ${MKL_INCLUDE} NO_DEFAULT_PATH)
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if(MKL_VERSION_HEADER)
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file(STRINGS "${MKL_VERSION_HEADER}" MKL_VERSION_LINE REGEX "^#define INTEL_MKL_VERSION [0-9]+")
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string(REGEX REPLACE "^#define INTEL_MKL_VERSION ([0-9]+)" "\\1" MKL_VER_NUM "${MKL_VERSION_LINE}")
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if(MKL_VER_NUM)
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math(EXPR MKL_MAJOR "${MKL_VER_NUM} / 10000")
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math(EXPR MKL_MINOR "(${MKL_VER_NUM} % 10000) / 100")
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math(EXPR MKL_PATCH "${MKL_VER_NUM} % 100")
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set(ABACUS_MKL_SUPPORT "yes (v${MKL_MAJOR}.${MKL_MINOR}.${MKL_PATCH})")
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endif()
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endif()
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else()
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set(ABACUS_MKL_SUPPORT "no")
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endif()
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if(ENABLE_LIBXC AND Libxc_VERSION)
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set(ABACUS_LIBXC_VERSION "yes (v${Libxc_VERSION})")
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elseif(ENABLE_LIBXC)
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set(ABACUS_LIBXC_VERSION "yes (path: ${Libxc_DIR})")
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else()
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set(ABACUS_LIBXC_VERSION "no")
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endif()
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if(NOT USE_SW AND NOT MKLROOT AND FFTW3_VERSION)
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set(ABACUS_FFTW_VERSION "yes (v${FFTW3_VERSION})")
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elseif(NOT USE_SW AND NOT MKLROOT)
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set(ABACUS_FFTW_VERSION "yes (version unknown)")
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else()
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set(ABACUS_FFTW_VERSION "no (using MKL or SW)")
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endif()
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# Cereal Version (Enhanced)
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if(ENABLE_LCAO)
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set(ABACUS_CEREAL_VERSION "yes (version unknown)")
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find_path(CEREAL_INCLUDE_DIR cereal/version.hpp PATHS ${CEREAL_INCLUDE_DIR})
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if(EXISTS CEREAL_INCLUDE_DIR)
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file(STRINGS "${CEREAL_INCLUDE_DIR}/cereal/version.hpp" CEREAL_MAJOR_LINE REGEX "^#define CEREAL_VERSION_MAJOR")
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file(STRINGS "${CEREAL_INCLUDE_DIR}/cereal/version.hpp" CEREAL_MINOR_LINE REGEX "^#define CEREAL_VERSION_MINOR")
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file(STRINGS "${CEREAL_INCLUDE_DIR}/cereal/version.hpp" CEREAL_PATCH_LINE REGEX "^#define CEREAL_VERSION_PATCH")
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string(REGEX REPLACE "^#define CEREAL_VERSION_MAJOR +([0-9]+).*" "\\1" CEREAL_MAJOR "${CEREAL_MAJOR_LINE}")
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string(REGEX REPLACE "^#define CEREAL_VERSION_MINOR +([0-9]+).*" "\\1" CEREAL_MINOR "${CEREAL_MINOR_LINE}")
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string(REGEX REPLACE "^#define CEREAL_VERSION_PATCH +([0-9]+).*" "\\1" CEREAL_PATCH "${CEREAL_PATCH_LINE}")
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if(CEREAL_MAJOR AND CEREAL_MINOR AND CEREAL_PATCH)
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set(ABACUS_CEREAL_VERSION "yes (v${CEREAL_MAJOR}.${CEREAL_MINOR}.${CEREAL_PATCH})")
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endif()
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endif()
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if(ABACUS_CEREAL_VERSION STREQUAL "yes (version unknown)" AND CEREAL_INCLUDE_DIR)
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set(ABACUS_CEREAL_VERSION "yes (path: ${CEREAL_INCLUDE_DIR})")
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endif()
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else()
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set(ABACUS_CEREAL_VERSION "no")
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endif()
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# Accelerators
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if(USE_CUDA AND CUDAToolkit_VERSION)
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set(ABACUS_CUDA_VERSION "yes (v${CUDAToolkit_VERSION})")
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elseif(USE_CUDA)
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set(ABACUS_CUDA_VERSION "yes (version unknown)")
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else()
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set(ABACUS_CUDA_VERSION "no")
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endif()
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if(USE_ROCM)
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set(ABACUS_ROCM_VERSION "yes (version unknown)")
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if(HIP_VERSION)
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set(ABACUS_ROCM_VERSION "yes (v${HIP_VERSION})")
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else()
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find_program(HIPCC_EXECUTABLE hipcc)
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if(HIPCC_EXECUTABLE)
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execute_process(COMMAND ${HIPCC_EXECUTABLE} --version OUTPUT_VARIABLE HIPCC_VERSION_OUTPUT OUTPUT_STRIP_TRAILING_WHITESPACE ERROR_QUIET)
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string(REGEX MATCH "HIP version: ([0-9]+\\.[0-9]+\\.[0-9]+)" _ "${HIPCC_VERSION_OUTPUT}")
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if(CMAKE_MATCH_1)
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set(ABACUS_ROCM_VERSION "yes (v${CMAKE_MATCH_1})")
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endif()
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endif()
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endif()
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if(ABACUS_ROCM_VERSION STREQUAL "yes (version unknown)" AND ROCM_PATH)
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set(ABACUS_ROCM_VERSION "yes (path: ${ROCM_PATH})")
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endif()
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else()
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set(ABACUS_ROCM_VERSION "no")
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endif()
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if(DEFINED CAL_CUSOLVERMP_PATH AND ENABLE_CUSOLVERMP)
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set(ABACUS_CUSOLVERMP_VERSION "yes (path: ${CAL_CUSOLVERMP_PATH})")
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elseif(ENABLE_CUSOLVERMP)
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set(ABACUS_CUSOLVERMP_VERSION "yes (version unknown)")
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else()
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set(ABACUS_CUSOLVERMP_VERSION "no")
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endif()
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# EXX Libraries
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if(ENABLE_LIBRI)
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set(ABACUS_LIBRI_VERSION "yes (version unknown)")
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set(LIBRI_VERSION_HEADER "${LIBRI_DIR}/include/RI/version.h")
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if(EXISTS ${LIBRI_VERSION_HEADER})
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file(STRINGS "${LIBRI_VERSION_HEADER}" LIBRI_MAJOR_LINE REGEX "__LIBRI_VERSION_MAJOR")
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file(STRINGS "${LIBRI_VERSION_HEADER}" LIBRI_MINOR_LINE REGEX "__LIBRI_VERSION_MINOR")
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file(STRINGS "${LIBRI_VERSION_HEADER}" LIBRI_PATCH_LINE REGEX "__LIBRI_VERSION_PATCH")
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string(REGEX MATCH "([0-9]+)" LIBRI_MAJOR "${LIBRI_MAJOR_LINE}")
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string(REGEX MATCH "([0-9]+)" LIBRI_MINOR "${LIBRI_MINOR_LINE}")
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string(REGEX MATCH "([0-9]+)" LIBRI_PATCH "${LIBRI_PATCH_LINE}")
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if(LIBRI_MAJOR AND LIBRI_MINOR AND LIBRI_PATCH)
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set(ABACUS_LIBRI_VERSION "yes (v${LIBRI_MAJOR}.${LIBRI_MINOR}.${LIBRI_PATCH})")
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endif()
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endif()
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if(ABACUS_LIBRI_VERSION STREQUAL "yes (version unknown)" AND LIBRI_DIR)
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set(ABACUS_LIBRI_VERSION "yes (path: ${LIBRI_DIR})")
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endif()
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else()
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set(ABACUS_LIBRI_VERSION "no")
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endif()
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if(ENABLE_LIBCOMM AND LIBCOMM_DIR)
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set(ABACUS_LIBCOMM_VERSION "yes (path: ${LIBCOMM_DIR})")
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elseif(ENABLE_LIBCOMM)
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set(ABACUS_LIBCOMM_VERSION "yes (version unknown)")
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else()
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set(ABACUS_LIBCOMM_VERSION "no")
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endif()
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# ML & AI Libraries
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if((DEFINED Torch_DIR OR ENABLE_MLALGO) AND Torch_VERSION)
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set(ABACUS_LIBTORCH_VERSION "yes (v${Torch_VERSION})")
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elseif(DEFINED Torch_DIR OR ENABLE_MLALGO)
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set(ABACUS_LIBTORCH_VERSION "yes (path: ${Torch_DIR})")
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else()
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set(ABACUS_LIBTORCH_VERSION "no")
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endif()
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if(DEFINED DeePMD_DIR)
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set(ABACUS_DEEPMD_VERSION "yes (version unknown)")
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set(DEEPMD_VERSION_HEADER "${DeePMD_DIR}/include/deepmd/version.h")
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if(EXISTS ${DEEPMD_VERSION_HEADER})
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file(STRINGS "${DEEPMD_VERSION_HEADER}" DEEPMD_VERSION_LINE REGEX "global_install_prefix")
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if(DEEPMD_VERSION_LINE)
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string(REGEX MATCH "global_install_prefix=\".*deepmd-kit-([0-9]+\\.[0-9]+\\.[0-9]+)\"" _ "${DEEPMD_VERSION_LINE}")
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if(CMAKE_MATCH_1)
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set(ABACUS_DEEPMD_VERSION "yes (v${CMAKE_MATCH_1})")
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endif()
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endif()
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endif()
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if(ABACUS_DEEPMD_VERSION STREQUAL "yes (version unknown)")
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set(ABACUS_DEEPMD_VERSION "yes (path: ${DeePMD_DIR})")
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endif()
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else()
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set(ABACUS_DEEPMD_VERSION "no")
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endif()
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if(DEFINED NEP_DIR AND NEP_VERSION)
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set(ABACUS_NEP_VERSION "yes (v${NEP_VERSION})")
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elseif(DEFINED NEP_DIR)
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set(ABACUS_NEP_VERSION "yes (path: ${NEP_DIR})")
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else()
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set(ABACUS_NEP_VERSION "no")
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endif()
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if(DEFINED TensorFlow_DIR)
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set(ABACUS_TENSORFLOW_VERSION "yes (path: ${TensorFlow_DIR})")
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else()
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set(ABACUS_TENSORFLOW_VERSION "no")
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endif()
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# Testing & Other Libraries
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if(BUILD_TESTING)
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set(ABACUS_GTEST_VERSION "yes (from git origin/main)")
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else()
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set(ABACUS_GTEST_VERSION "no")
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endif()
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if(ENABLE_GOOGLEBENCH)
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set(ABACUS_GOOGLEBENCH_VERSION "yes (from git origin/main)")
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else()
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set(ABACUS_GOOGLEBENCH_VERSION "no")
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endif()
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if(DEFINED RapidJSON_DIR AND ENABLE_RAPIDJSON)
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set(ABACUS_RAPIDJSON_VERSION "yes (path: ${RapidJSON_DIR})")
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elseif(ENABLE_RAPIDJSON)
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set(ABACUS_RAPIDJSON_VERSION "yes (from git origin/master)")
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else()
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set(ABACUS_RAPIDJSON_VERSION "no")
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endif()
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if(ENABLE_MLALGO)
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set(ABACUS_LIBNPY_VERSION "yes (path: ${libnpy_SOURCE_DIR})")
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else()
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set(ABACUS_LIBNPY_VERSION "no")
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endif()
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if(ENABLE_PEXSI)
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set(ABACUS_PEXSI_VERSION "yes (version unknown)")
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if(PEXSI_VERSION)
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set(ABACUS_PEXSI_VERSION "yes (v${PEXSI_VERSION})")
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elseif(PEXSI_DIR)
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set(ABACUS_PEXSI_VERSION "yes (path: ${PEXSI_DIR})")
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endif()
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else()
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set(ABACUS_PEXSI_VERSION "no")
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endif()
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if(ENABLE_CNPY)
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set(ABACUS_CNPY_VERSION "yes (path: ${cnpy_SOURCE_DIR})")
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else()
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set(ABACUS_CNPY_VERSION "no")
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endif()
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# --- 5. Collect CMake Configuration Summary ---
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set(ABACUS_CMAKE_OPTIONS "Build Options:")
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list(APPEND CMAKE_OPTIONS_LIST " ENABLE_MPI=${ENABLE_MPI}")
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list(APPEND CMAKE_OPTIONS_LIST " USE_OPENMP=${USE_OPENMP}")
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list(APPEND CMAKE_OPTIONS_LIST " USE_CUDA=${USE_CUDA}")
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list(APPEND CMAKE_OPTIONS_LIST " USE_ROCM=${USE_ROCM}")
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list(APPEND CMAKE_OPTIONS_LIST " ENABLE_LCAO=${ENABLE_LCAO}")
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list(APPEND CMAKE_OPTIONS_LIST " USE_ELPA=${USE_ELPA}")
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list(APPEND CMAKE_OPTIONS_LIST " ENABLE_LIBXC=${ENABLE_LIBXC}")
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list(APPEND CMAKE_OPTIONS_LIST " ENABLE_MLALGO=${ENABLE_MLALGO}")
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list(APPEND CMAKE_OPTIONS_LIST " ENABLE_ASAN=${ENABLE_ASAN}")
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list(APPEND CMAKE_OPTIONS_LIST " BUILD_TESTING=${BUILD_TESTING}")
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foreach(option_line ${CMAKE_OPTIONS_LIST})
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set(ABACUS_CMAKE_OPTIONS "${ABACUS_CMAKE_OPTIONS}${option_line}")
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endforeach()
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set(ABACUS_CMAKE_FIND_PACKAGES "FindPackage Results:")
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list(APPEND CMAKE_FIND_PACKAGES_LIST " MPI Found=${MPI_FOUND}")
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list(APPEND CMAKE_FIND_PACKAGES_LIST " OpenMP Found=${OpenMP_CXX_FOUND}")
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list(APPEND CMAKE_FIND_PACKAGES_LIST " CUDA Found=${CUDA_FOUND}")
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list(APPEND CMAKE_FIND_PACKAGES_LIST " ROCm Found=${ROCM_FOUND}")
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list(APPEND CMAKE_FIND_PACKAGES_LIST " ELPA Found=${ELPA_FOUND}")
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list(APPEND CMAKE_FIND_PACKAGES_LIST " Libxc Found=${Libxc_FOUND}")
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list(APPEND CMAKE_FIND_PACKAGES_LIST " PEXSI Found=${PEXSI_FOUND}")
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list(APPEND CMAKE_FIND_PACKAGES_LIST " LibRI Found=${LIBRI_FOUND}")
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foreach(package_line ${CMAKE_FIND_PACKAGES_LIST})
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set(ABACUS_CMAKE_FIND_PACKAGES "${ABACUS_CMAKE_FIND_PACKAGES}${package_line}")
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endforeach()

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