mirror of https://github.com/QMCPACK/qmcpack.git
445 lines
15 KiB
CMake
445 lines
15 KiB
CMake
PROJECT(qmcpack)
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CMAKE_MINIMUM_REQUIRED(VERSION 2.4)
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######################################################################
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# Version
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######################################################################
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SET(QMCPLUSPLUS_VERSION_MAJOR 0)
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SET(QMCPLUSPLUS_VERSION_MINOR 5)
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SET(QMCPLUSPLUS_VERSION_PATCH 0)
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SET(QMCPLUSPLUS_RELEASE 0)
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SET(QMCPLUSPLUS_VERSION "${QMCPLUSPLUS_VERSION_MAJOR}.${QMCPLUSPLUS_VERSION_MINOR}.$(QMCPLUSPLUS_VERSION_PATH}")
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######################################################################
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#define the paths for library and executable for out-of-soruce compilation
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######################################################################
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SET (LIBRARY_OUTPUT_PATH ${qmcpack_BINARY_DIR}/lib CACHE PATH "Single output directory for building all libraries.")
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SET (EXECUTABLE_OUTPUT_PATH ${qmcpack_BINARY_DIR}/bin CACHE PATH "Single output directory for building all executables.")
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######################################################################
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# Set the compiler-time parameters
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# OHMMS_DIM = dimension of the problem
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# OHMMS_INDEXTYPE = type of index
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# OHMMS_PRECISION = base precision, float, double etc
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# QMC_COMPLEX = true if using complex wavefunctions
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# QMC_MPI = enable MPI
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# QMC_OMP = enable OMP
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# QMC_BITS = 32/64 bit
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######################################################################
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SET(OHMMS_DIM 3 CACHE INTEGER "Select physical dimension")
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SET(OHMMS_INDEXTYPE int)
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SET(OHMMS_PRECISION double)
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SET(APP_PRECISION double)
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SET(QMC_BUILD_COMPLETE 1 CACHE BOOL "Enable all the packages")
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SET(PRINT_DEBUG 0 CACHE BOOL "Enable/disable debug printing")
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SET(QMC_COMPLEX 0 CACHE INTEGER "Build for complex binary")
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SET(QMC_MPI 1 CACHE BOOL "Enable/disable MPI")
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SET(QMC_OMP 1 CACHE BOOL "Enable/disable OpenMP")
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SET(QMC_BITS 64 CACHE INTEGER "Select OS bit")
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######################################################################
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# Standard test
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######################################################################
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INCLUDE(${CMAKE_ROOT}/Modules/CheckFunctionExists.cmake)
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INCLUDE(${CMAKE_ROOT}/Modules/CheckIncludeFile.cmake)
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INCLUDE(${CMAKE_ROOT}/Modules/CheckTypeSize.cmake)
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CHECK_FUNCTION_EXISTS(sincos HAVE_SINCOS)
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CHECK_FUNCTION_EXISTS(round HAVE_STD_ROUND)
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######################################################################
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# add macros to compile einspline if necessary
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######################################################################
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CHECK_FUNCTION_EXISTS(floor HAVE_FLOOR)
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CHECK_FUNCTION_EXISTS(posix_memalign HAVE_POSIX_MEMALIGN)
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CHECK_FUNCTION_EXISTS(pow HAVE_POW)
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CHECK_FUNCTION_EXISTS(sqrt HAVE_SQRT)
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CHECK_INCLUDE_FILE(dlfcn.h HAVE_DLFCN_H)
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CHECK_INCLUDE_FILE(inttypes.h HAVE_INTTYPES_H)
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CHECK_INCLUDE_FILE(memory.h HAVE_MEMORY_H)
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CHECK_INCLUDE_FILE(pmmintrin.h HAVE_PMMINTRIN_H)
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CHECK_INCLUDE_FILE(emmintrin.h HAVE_EMMINTRIN_H)
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CHECK_INCLUDE_FILE(sys/stat.h HAVE_SYS_STAT_H)
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CHECK_INCLUDE_FILE(sys/time.h HAVE_SYS_TIME_H)
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CHECK_INCLUDE_FILE(sys/types.h HAVE_SYS_TYPES_H)
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CHECK_INCLUDE_FILE(unistd.h HAVE_UNISTD_H)
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SET(HAVE_SSE 0)
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SET(HAVE_SSE2 0)
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SET(HAVE_SSE3 0)
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SET(HAVE_SSSE3 0)
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SET(USE_PREFETCH 0)
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SET(PREFETCH_AHEAD 12)
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SET(HAVE_C_VARARRAYS 1)
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######################################################################
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# Build options
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# QMC_BUILD_STATIC build static/dynamic libraries
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# BUILD_QMCTOOLS build utility programs
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# BUILD_SANDBOX build test programs
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# MPIP_PROFILE profile mpi performance
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######################################################################
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SET(QMC_BUILD_STATIC 0 CACHE BOOL "Build static libraries and binary")
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SET(BUILD_QMCTOOLS 0 CACHE BOOL "Build tools for QMCPACK")
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SET(BUILD_SANDBOX 0 CACHE BOOL "Build snadbox for testing")
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SET(MPIP_PROFILE 0 CACHE BOOL "Build with mpip for mpi profile")
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######################################################################
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# Performance-related macros
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# QMC_SK_USE_RECURSIVE enable/disable recursive evalaution of SK
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######################################################################
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SET(QMC_SK_USE_RECURSIVE 0)
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IF(NOT $ENV{QMC_SK_RECURSIVE} MATCHES QMC_SK_USE_RECURSIVE)
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SET(QMC_SK_USE_RECURSIVE $ENV{QMC_SK_RECURSIVE})
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ENDIF(NOT $ENV{QMC_SK_RECURSIVE} MATCHES QMC_SK_USE_RECURSIVE)
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######################################################################
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# Overwrite with environments if they differ from the set values
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######################################################################
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IF(NOT $ENV{QMC_MPI} MATCHES QMC_MPI)
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SET(QMC_MPI $ENV{QMC_MPI})
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ENDIF(NOT $ENV{QMC_MPI} MATCHES QMC_MPI)
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IF(NOT $ENV{QMC_OMP} MATCHES QMC_OMP)
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SET(QMC_OMP $ENV{QMC_OMP})
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ENDIF(NOT $ENV{QMC_OMP} MATCHES QMC_OMP)
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IF(NOT $ENV{QMC_BITS} MATCHES QMC_BITS)
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SET(QMC_BITS $ENV{QMC_BITS})
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ENDIF(NOT $ENV{QMC_BITS} MATCHES QMC_BITS)
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IF(NOT $ENV{QMC_COMPLEX} MATCHES QMC_COMPLEX)
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SET(QMC_COMPLEX $ENV{QMC_COMPLEX})
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ENDIF(NOT $ENV{QMC_COMPLEX} MATCHES QMC_COMPLEX)
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######################################################################
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# FIXED PARAMETERS for test and legacy reasons
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# DO NOT TOUCH THESE
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# QMC_ORTHO = 0 for general unit cell, 1 for orthogonal cells
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# QMC_FASTWALKER = true, when operation is faster for each walker
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######################################################################
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SET(QMC_FASTWALKER 1)
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SET(OHMMS_ORTHO 0)
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######################################################################
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#list of options to determine libraries. First, try to use libraries available
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######################################################################
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SET(INTEL_COMPILER 0)
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SET(ENABLE_OPENMP 0)
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SET(ENABLE_PHDF5 0 CACHE BOOL "Enable phdf5 for output")
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SET(HAVE_MPI 0)
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SET(HAVE_OOMPI 0)
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SET(HAVE_LIBXML2 1)
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SET(HAVE_LIBFFTW 0)
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SET(HAVE_LIBXMLPP 0)
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SET(HAVE_LIBHDF5 0)
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SET(HAVE_LIBSPRNG 0)
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SET(HAVE_LIBBLITZ 0)
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SET(HAVE_LIBGSL 0)
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SET(INTEL_COMPILER 0)
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SET(MAC_VECLIB 0)
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SET(ENABLE_GTK_GUI 0)
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SET(HAVE_EINSPLINE 0)
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SET(HAVE_EINSPLINE_EXT 0)
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SET(HAVE_MKL 0)
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SET(HAVE_ACML 0)
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set(ENABLE_TAU_PROFILE 0 CACHE BOOL "Enable tau for profiling")
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SET(TAU_HOME $ENV{TAU_HOME})
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######################################################
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# Directory where customize cmake files reside
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######################################################
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SET (PROJECT_CMAKE ${qmcpack_SOURCE_DIR}/CMake)
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######################################################
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# Get the current SVN version
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######################################################
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SET(QMCPLUSPLUS_SVN_LAST_CHANGED "2008-05-12")
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FIND_PACKAGE(Subversion)
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IF(Subversion_FOUND)
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Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project)
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MESSAGE("-- Current revision : ${Project_WC_REVISION} modified on ${Project_WC_LAST_CHANGED_DATE}")
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SET(QMCPLUSPLUS_BRANCH ${Project_WC_REVISION})
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SET(QMCPLUSPLUS_LAST_CHANGED_DATE ${Project_WC_LAST_CHANGED_DATE})
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ENDIF(Subversion_FOUND)
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######################################################
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#COMPILER choose one of the cmake files to customize the compiler options
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#If nothing is chosen, default settings by cmake will be used.
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#If the automatic detection does not work, comment out everything
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#upto COMPILER MANUAL SELECTION and use one of the customized cmake file.
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######################################################
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SET(FOUND_CXXENV 0)
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INCLUDE(${CMAKE_ROOT}/Modules/TestCXXAcceptsFlag.cmake)
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INCLUDE(${CMAKE_ROOT}/Modules/CheckCCompilerFlag.cmake)
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IF(QMC_ENV)
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MESSAGE(STATUS "Using tested toolchain by qmcpack developers")
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INCLUDE(${PROJECT_SOURCE_DIR}/config/${QMC_ENV}.cmake)
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ELSE(QMC_ENV)
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######################################################
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# Try to identify CPU identity
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######################################################
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SET(CPU_IDENTITY "generic")
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INCLUDE(${PROJECT_CMAKE}/CheckProcessorID.cmake)
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#------------------------------------
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# On Jaguar use CrayXT.cmake
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#------------------------------------
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IF($ENV{HOST} MATCHES "jaguar")
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MESSAGE(" Working on jaguar. Using CMake/CrayXT.cmake")
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SET(CPU_IDENTITY "barcelona")
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INCLUDE(${PROJECT_CMAKE}/CrayXT.cmake)
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SET(FOUND_CXXENV 1)
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ENDIF($ENV{HOST} MATCHES "jaguar")
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#------------------------------------
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# Check if using IBM compilers
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#------------------------------------
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IF($ENV{CXX} MATCHES "xlC")
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INCLUDE(${PROJECT_CMAKE}/IBMCompilers.cmake)
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SET(FOUND_CXXENV 1)
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ENDIF($ENV{CXX} MATCHES "xlC")
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#------------------------------------
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# Check if using Intel compilers
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#------------------------------------
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IF($ENV{CXX} MATCHES "icpc")
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INCLUDE(${PROJECT_CMAKE}/IntelCompilers.cmake)
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SET(FOUND_CXXENV 1)
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ENDIF($ENV{CXX} MATCHES "icpc")
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#------------------------------------
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# other compilers, e.g., mpicxx
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# most likely *unix with gnu or intel compilers
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# using "-restrict" option to find out if intel compilers are backend.
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#------------------------------------
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IF(NOT FOUND_CXXENV)
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IF(CMAKE_COMPILER_IS_GNUCXX)
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INCLUDE(${PROJECT_CMAKE}/GNUCompilers.cmake)
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ELSE(CMAKE_COMPILER_IS_GNUCXX)
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SET(CMAKE_TRY_INTEL_CXX_FLAGS "-restrict")
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CHECK_CXX_ACCEPTS_FLAG(${CMAKE_TRY_INTEL_CXX_FLAGS} INTEL_CXX_FLAGS)
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IF(INTEL_CXX_FLAGS)
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INCLUDE(${PROJECT_CMAKE}/IntelCompilers.cmake)
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SET(FOUND_CXXENV 1)
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ENDIF(INTEL_CXX_FLAGS)
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ENDIF(CMAKE_COMPILER_IS_GNUCXX)
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ENDIF(NOT FOUND_CXXENV)
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#-------------------------------------------------------------------
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#COMPIELR MANUAL SELECTION
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#If automatic detection does not work, comment out above and select one
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#of these files
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#-------------------------------------------------------------------
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#INCLUDE(${PROJECT_CMAKE}/GNUCompilers.cmake)
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#INCLUDE(${PROJECT_CMAKE}/IntelCompilers.cmake)
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#INCLUDE(${PROJECT_CMAKE}/IBMCompilers.cmake)
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#INCLUDE(${PROJECT_CMAKE}/KCCCompilers.cmake)
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INCLUDE(${PROJECT_CMAKE}/FindLapack.cmake)
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ENDIF(QMC_ENV)
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MESSAGE("-- CXX compiler flags: ${CMAKE_CXX_FLAGS}")
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MESSAGE("-- CC compiler flags: ${CMAKE_C_FLAGS}")
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#
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######################################################
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# DO NOT MODIFY BELOW
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######################################################
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INCLUDE(${CMAKE_ROOT}/Modules/FindThreads.cmake)
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INCLUDE(${PROJECT_CMAKE}/FindLibxml2.cmake)
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INCLUDE(${PROJECT_CMAKE}/FindHDF5.cmake)
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INCLUDE(${PROJECT_CMAKE}/FindBoost.cmake)
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#INCLUDE(${PROJECT_CMAKE}/FindPkgConfig.cmake)
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INCLUDE(${PROJECT_CMAKE}/FindFFTW.cmake)
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if(ENABLE_TAU_PROFILE)
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INCLUDE(${PROJECT_CMAKE}/FindTau.cmake)
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endif(ENABLE_TAU_PROFILE)
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######################################################
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# Add optional macros
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######################################################
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IF(FOUND_TAU)
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INCLUDE_DIRECTORIES(${TAU_INCLUDE_DIR})
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ADD_DEFINITIONS (-DPROFILING_ON
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-DTAU_STDCXXLIB
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-DTAU_DOT_H_LESS_HEADERS
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-DTAU_CALLPATH
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-DTAU_LARGEFILE64_SOURCE
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-DTAU_BFD
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)
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if(ENABLE_OPENMP)
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ADD_DEFINITIONS(-DTAU_OPENMP)
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endif(ENABLE_OPENMP)
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ENDIF(FOUND_TAU)
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IF(QMC_MPI)
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#IF(MPIP_PROFILE)
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# LINK_LIBRARIES("/usr/apps/tools/mpip/lib/cmpi/libmpiP.a")
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# LINK_LIBRARIES("/usr/lib/libbfd.a")
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# LINK_LIBRARIES("/usr/lib/libiberty.a")
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#ENDIF(MPIP_PROFILE)
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include(FindMPI)
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IF(MPI_FOUND)
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SET(HAVE_MPI 1)
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SET(HAVE_OOMPI 1)
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LINK_LIBRARIES(${MPI_LIBRARY})
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ENDIF(MPI_FOUND)
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ENDIF(QMC_MPI)
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if(HAVE_MPI)
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#do not use mpi c++ binding
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ADD_DEFINITIONS(-DMPICH_SKIP_MPICXX)
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#add tau stuff
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IF(FOUND_TAU)
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ADD_DEFINITIONS(
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-DTAU_MPI
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-DTAU_MPI_THREADED
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-DTAU_MPIGREQUEST
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-DTAU_MPIDATAREP
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-DTAU_MPIERRHANDLER
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-DTAU_MPIATTRFUNCTION
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-DTAU_MPITYPEEX
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-DTAU_MPIADDERROR
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)
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#build libtau
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subdirs(src/tau)
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LINK_LIBRARIES(tau)
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ENDIF(FOUND_TAU)
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endif(HAVE_MPI)
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IF(FOUND_LIBXML2)
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INCLUDE_DIRECTORIES(${LIBXML2_INCLUDE_DIR})
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LINK_LIBRARIES(${LIBXML2_LIBRARY})
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SET(HAVE_LIBXML2 1)
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ENDIF(FOUND_LIBXML2)
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IF(FOUND_BOOST)
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SET(HAVE_LIBBOOST 1)
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INCLUDE_DIRECTORIES(${BOOST_INCLUDE_DIR})
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ELSE(FOUND_BOOST)
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MESSAGE(FATAL_ERROR "Require boost 1.33.x or higher. Set BOOST_HOME")
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ENDIF(FOUND_BOOST)
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IF(FOUND_FFTW)
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SET(HAVE_LIBFFTW 1)
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INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
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LINK_LIBRARIES(${FFTW_LIBRARY})
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ENDIF(FOUND_FFTW)
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IF(FOUND_HDF5)
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SET(HAVE_LIBHDF5 1)
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INCLUDE_DIRECTORIES(${HDF5_INCLUDE_DIR})
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LINK_LIBRARIES(${HDF5_LIBRARY})
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#zlib
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INCLUDE(${PROJECT_CMAKE}/FindZLIB.cmake)
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IF(ZLIB_FOUND)
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LINK_LIBRARIES(${ZLIB_LIBRARY})
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ENDIF(ZLIB_FOUND)
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#szlib
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INCLUDE(${PROJECT_CMAKE}/FindSZLIB.cmake)
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IF(SZLIB_FOUND)
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LINK_LIBRARIES(${SZLIB_LIBRARY})
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ENDIF(SZLIB_FOUND)
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ELSE(FOUND_HDF5)
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MESSAGE(FATAL_ERROR "Require hdf5 1.6.4 or higher. Set HDF5_HOME")
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ENDIF(FOUND_HDF5)
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######################################################################
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# Manage GTK+ and GTKMM packages for GUI
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# search headers and libraries
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# 1) -lXYZ-${XYZ_VERSION}
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# 2) -lXYZ
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# example: -lgtk-${GTK_VERSION} | -lgtk
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######################################################################
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SET(GTK_VERSION 2.0)
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SET(PANGO_VERSION 1.0)
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SET(GTKMM_VERSION 2.4)
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SET(PANGOMM_VERSION 1.4)
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SET(SIGCPP_VERSION 2.0)
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IF(ENABLE_GTK_GUI)
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INCLUDE(${PROJECT_CMAKE}/FindGTK.cmake)
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#THIS SHOULD GO TO the directory where GUI is built
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IF(GTKMM_FOUND)
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INCLUDE_DIRECTORIES(${GTKMM_INCLUDE_DIR})
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LINK_LIBRARIES(${GTKMM_LIBRARIES})
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ENDIF(GTKMM_FOUND)
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ENDIF(ENABLE_GTK_GUI)
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######################################################################
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# Manage Einspline library
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# - check if libeinspline can be found in $EINSPLINE_HOME/include and
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# $EINSPLINE_HOME/lib
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# - if not found, build it from the source directory in $EINSPLINE_HOME
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# - if everything fails, do not use it
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######################################################################
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INCLUDE(${PROJECT_CMAKE}/FindEinspline.cmake)
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IF(HAVE_EINSPLINE_EXT)
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INCLUDE_DIRECTORIES(${EINSPLINE_INCLUDE_DIR})
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LINK_LIBRARIES(${EINSPLINE_LIBRARY})
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ELSE(HAVE_EINSPLINE_EXT)
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IF(HAVE_EINSPLINE)
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SUBDIRS(src/einspline)
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ENDIF(HAVE_EINSPLINE)
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ENDIF(HAVE_EINSPLINE_EXT)
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#IF ( CMAKE_PKGCONFIG_EXECUTABLE )
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# # Find all the librtk stuff with pkg-config
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# PKGCONFIG( "einspline >= 0.9" HAVE_EINSPLINE EINSPLINE_INCLUDE_DIRS EINSPLINE_DEFINES EINSPLINE_LINK_DIRS EINSPLINE_LIBS )
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# CHECK_INCLUDE_FILE(${EINSPLINE_INCLUDE_DIRS}/config.h HAVE_EINSPLINE)
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# IF(HAVE_EINSPLINE)
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# FIND_LIBRARY(EINSPLINE_LIBRARY einspline ${EINSPLINE_LINK_DIRS})
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# INCLUDE_DIRECTORIES(${EINSPLINE_INCLUDE_DIRS})
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# ADD_DEFINITIONS (${EINSPLINE_DEFINES} -DHAVE_EINSPLINE)
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# SET(HAVE_EINSPLINE 1)
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# SET(HAVE_EINSPLINE_EXT 1)
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# LINK_LIBRARIES(${EINSPLINE_LIBRARY})
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# MESSAGE("-- Einspline library found at ${EINSPLINE_LIBRARY}")
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# ELSE(HAVE_EINSPLINE)
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# MESSAGE("-- Checked PKG_CONFIG_PATH=$ENV{PKG_CONFIG_PATH}")
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# MESSAGE("-- Missing pre-built Einspline library.")
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# ENDIF(HAVE_EINSPLINE)
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#ENDIF ( CMAKE_PKGCONFIG_EXECUTABLE )
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#
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#IF(NOT HAVE_EINSPLINE)
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# FIND_PATH(EINSPLINE_DIR src/bspline.h $ENV{EINSPLINE_HOME})
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# IF(EINSPLINE_DIR)
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# MESSAGE("-- Try to build Einspline library. Source is found at ${EINSPLINE_DIR}.")
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# SET(HAVE_EINSPLINE 1)
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# SUBDIRS(src/einspline)
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# ELSE(EINSPLINE_DIR)
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# MESSAGE("-- EINSPLINE_HOME is not found. Disable Einspline library.")
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# MESSAGE("-- Download einspline library to utilize an optimized 3D-bspline library.")
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# ENDIF(EINSPLINE_DIR)
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#ENDIF(NOT HAVE_EINSPLINE)
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###################################################
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# Done searching libraries. Start building qmcpack
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###################################################
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MESSAGE("-- Ready to build qmcpack")
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INCLUDE_DIRECTORIES(
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${qmcpack_SOURCE_DIR}/src
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${qmcpack_BINARY_DIR}/src
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)
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ADD_DEFINITIONS(-DHAVE_CONFIG_H -DH5_USE_16_API -DAPPNAMESPACE=qmcplusplus)
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#ADD_DEFINITIONS(-DDISABLE_WS_CELL)
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IF(BUILD_QMCTOOLS)
|
|
SUBDIRS(boost)
|
|
ENDIF(BUILD_QMCTOOLS)
|
|
|
|
SUBDIRS(src)
|