mirror of https://github.com/QMCPACK/qmcpack.git
879 lines
32 KiB
CMake
879 lines
32 KiB
CMake
PROJECT(qmcpack)
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#####################################################
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CMAKE_MINIMUM_REQUIRED(VERSION 2.8.10)
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IF(COMMAND cmake_policy)
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cmake_policy(SET CMP0003 NEW)
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ENDIF(COMMAND cmake_policy)
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######################################################################
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# Version
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######################################################################
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SET(QMCPACK_VERSION_MAJOR 3)
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SET(QMCPACK_VERSION_MINOR 2)
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SET(QMCPACK_VERSION_PATCH 0)
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SET(QMCPACK_VERSION "${QMCPACK_VERSION_MAJOR}.${QMCPACK_VERSION_MINOR}.${QMCPACK_VERSION_PATCH}")
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######################################################################
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# CTest
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######################################################################
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SET( DROP_METHOD "http" )
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SET( DROP_SITE "cdash.qmcpack.org" )
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SET( DROP_LOCATION "/CDash/submit.php?project=QMCPACK" )
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SET( TRIGGER_SITE "" )
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SET( DROP_SITE_CDASH TRUE )
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# Increase timeout per test over the default of 1500 seconds (25 minutes)
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SET( DART_TESTING_TIMEOUT 3600 CACHE STRING "Maximum time for one test")
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ENABLE_TESTING()
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INCLUDE( CTest )
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SET( QMC_SYMLINK_TEST_FILES TRUE CACHE BOOL "Use symbolic links for test files to save space. Set to false to copy files instead.")
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IF (QMC_SYMLINK_TEST_FILES)
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SET(SYMLINK_MSG "Using symbolic links for large test files may cause test failures if the build is installed on a separate filesystem from the source. For example, Titan at OLCF.")
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ELSE()
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SET(SYMLINK_MSG "Copying large test files uses more disk space than using symbolic links.")
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ENDIF()
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MESSAGE(STATUS "QMC_SYMLINK_TEST_FILES = ${QMC_SYMLINK_TEST_FILES}. ${SYMLINK_MSG}")
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######################################################################
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# Build level
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######################################################################
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SET(QMC_BUILD_LEVEL 3 CACHE INTEGER
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"QMC Build Level: 1=bare, 2=developer, 3=experimental, 4=minimal")
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IF ( NOT CMAKE_BUILD_TYPE AND NOT CMAKE_TOOLCHAIN_FILE)
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SET( CMAKE_BUILD_TYPE Release )
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ENDIF()
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STRING( TOUPPER "${CMAKE_BUILD_TYPE}" CMAKE_BUILD_TYPE )
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MESSAGE( STATUS "CMAKE_BUILD_TYPE is ${CMAKE_BUILD_TYPE}")
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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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# build include and library paths required for the projects
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# For XYZ library, set an environment as
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# export XYZ_HOME='root-of-the-library'
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# XYZ_HOME/include
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# XYZ_HOME/lib
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# IF XYZ library is found, XYZ_FOUND is set to true
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#
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# find_package is used with cmake 2.8 and higher
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######################################################################
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#if(APPLE)
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# set(QMC_INCLUDE_PATHS ${QMC_INCLUDE_PATHS} /sw/include)
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# set(QMC_LIBRARY_PATHS ${QMC_LIBRARY_PATHS} /sw/lib)
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#endif(APPLE)
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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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# OHMMS_PRECISION_FULL = full precision, 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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######################################################################
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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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MESSAGE(STATUS "defining the float point precision")
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SET(OHMMS_PRECISION_FULL double)
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IF(QMC_CUDA)
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SET(QMC_MIXED_PRECISION 1 CACHE BOOL "Enable/disable mixed precision")
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SET(OHMMS_PRECISION double)
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SET(CUDA_PRECISION_FULL double)
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IF(QMC_MIXED_PRECISION)
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SET(CUDA_PRECISION float)
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ELSE(QMC_MIXED_PRECISION)
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SET(CUDA_PRECISION double)
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ENDIF(QMC_MIXED_PRECISION)
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MESSAGE(" Base precision = ${OHMMS_PRECISION}")
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MESSAGE(" Full precision = ${OHMMS_PRECISION_FULL}")
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MESSAGE(" CUDA base precision = ${CUDA_PRECISION}")
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MESSAGE(" CUDA full precision = ${CUDA_PRECISION_FULL}")
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ELSE(QMC_CUDA)
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SET(QMC_MIXED_PRECISION 0 CACHE BOOL "Enable/disable mixed precision")
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IF(QMC_MIXED_PRECISION)
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SET(OHMMS_PRECISION float)
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SET(MIXED_PRECISION 1)
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ELSE(QMC_MIXED_PRECISION)
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SET(OHMMS_PRECISION double)
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ENDIF(QMC_MIXED_PRECISION)
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MESSAGE(" Base precision = ${OHMMS_PRECISION}")
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MESSAGE(" Full precision = ${OHMMS_PRECISION_FULL}")
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ENDIF(QMC_CUDA)
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# Code coverage
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SET(GCOV_SUPPORTED FALSE)
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SET(ENABLE_GCOV FALSE CACHE BOOL "Enable code coverage")
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######################################################################
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# enable MPI and OPNEMP if possible
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######################################################################
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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_COMPLEX 0 CACHE INTEGER "Build for complex binary")
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SET(PRINT_DEBUG 0 CACHE BOOL "Enable/disable debug printing")
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SET(QMC_CUDA 0 CACHE BOOL "Build with GPU support through CUDA")
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######################################################################
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# set debug printout
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# DEBUG_PSIBUFFER_ON keep track buffer's locator
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######################################################################
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SET(DEBUG_PSIBUFFER_ON 0 CACHE BOOL "Build with GPU support through CUDA")
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######################################################################
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# Standard test
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######################################################################
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SET(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/CMake" ${CMAKE_MODULE_PATH})
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######################################################################
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# add macros to compile einspline if necessary
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######################################################################
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INCLUDE(${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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INCLUDE(${CMAKE_ROOT}/Modules/CheckCXXSourceCompiles.cmake)
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CHECK_FUNCTION_EXISTS(sincos HAVE_SINCOS)
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CHECK_FUNCTION_EXISTS(posix_memalign HAVE_POSIX_MEMALIGN)
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SET(CHECK_ISZERO_SOURCE "#include <math.h>
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int main() {iszero(1.0); return 0;}")
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CHECK_CXX_SOURCE_COMPILES("${CHECK_ISZERO_SOURCE}" HAVE_ISZERO)
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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(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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######################################################################
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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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# BUILD_MINIAPPS build miniapps (Incomplete)
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# MPIP_PROFILE profile mpi performance
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######################################################################
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SET(QMC_ADIOS 0 CACHE BOOL "Build with ADIOS")
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SET(BUILD_UNIT_TESTS 1 CACHE BOOL "Build unit tests")
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SET(BUILD_MINIAPPS 1 CACHE BOOL "Build miniapps")
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SET(BUILD_LMYENGINE_INTERFACE 1 CACHE BOOL "Build LMY engine")
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IF (QMC_CUDA AND BUILD_LMYENGINE_INTERFACE)
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MESSAGE(STATUS "LMY engine is not compatiable with CUDA build! Disabling LMY engine")
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SET(BUILD_LMYENGINE_INTERFACE 0)
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ENDIF()
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IF(MIXED_PRECISION AND BUILD_LMYENGINE_INTERFACE)
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MESSAGE(STATUS "LMY engine is not compatiable with CPU mixed precision build! Disabling LMY engine")
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SET(BUILD_LMYENGINE_INTERFACE 0)
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ENDIF()
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SET(BUILD_AFQMC 0 CACHE BOOL "Build with AFQMC")
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SET(BUILD_FCIQMC 0 CACHE BOOL "Build with FCIQMC")
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#SET(BUILD_QMCTOOLS 1 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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#SET(BUILD_QMCTOOLS 1)
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#SET(BUILD_SANDBOX 0)
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#SET(MPIP_PROFILE 0)
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SET(QMC_BUILD_STATIC 0 CACHE BOOL "Link to static libraries")
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SET(ENABLE_TIMERS 0 CACHE BOOL "Enable internal timers")
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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 CACHE BOOL "Use recursive evalaution of SK")
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IF(QMC_SK_USE_RECURSIVE)
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MESSAGE(STATUS "SK structure factor uses a recursive algorithm.")
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ENDIF(QMC_SK_USE_RECURSIVE)
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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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#FindXYZ.cmake will set the values if successful
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######################################################################
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SET(ENABLE_PHDF5 1 CACHE BOOL "Enable phdf5 for output")
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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(MAC_VECLIB 0)
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SET(ENABLE_GTK_GUI 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 ${qmcpack_SOURCE_DIR}/CMake)
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######################################################
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# set ADIOS flags
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######################################################
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IF(QMC_ADIOS)
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IF(NOT HAVE_ADIOS)
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SET (ADIOS_FOUND 0)
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INCLUDE(${PROJECT_CMAKE}/FindADIOS.cmake)
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IF (${ADIOS_FOUND} EQUAL 1)
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INCLUDE_DIRECTORIES(${ADIOS_INCLUDES})
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MESSAGE(STATUS "Found ADIOS")
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LINK_LIBRARIES(${ADIOS_LIBRARIES})
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ADD_DEFINITIONS(-DHAVE_ADIOS)
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ELSE()
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MESSAGE(STATUS "Couldn't find required library ADIOS")
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MESSAGE(FATAL_ERROR "ADIOS_HOME: export ADIOS_HOME=/path/to/adios")
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ENDIF()
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ELSE()
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ADD_DEFINITIONS(-DHAVE_ADIOS)
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ENDIF()
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ENDIF(QMC_ADIOS)
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SET(QMCPACK_UNIT_TEST_DIR ${qmcpack_BINARY_DIR}/tests/bin)
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######################################################
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# Git information (see src/CMakeLists.txt for the
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# command to get repository information)
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######################################################
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FIND_PACKAGE(Git)
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SET(IS_GIT_PROJECT false)
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IF (EXISTS "${PROJECT_SOURCE_DIR}/.git")
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SET(IS_GIT_PROJECT true)
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ENDIF()
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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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INCLUDE(${CMAKE_ROOT}/Modules/CheckCCompilerFlag.cmake)
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INCLUDE(${CMAKE_ROOT}/Modules/CheckCXXCompilerFlag.cmake)
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######################################################
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# DO NOT MODIFY BELOW
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# If you like to customize your build, create a toolchain as instructed
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######################################################
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######################################################
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# now set the compiler flags and the macros in src/config.h
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######################################################
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IF(CMAKE_TOOLCHAIN_FILE)
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MESSAGE(STATUS "Using ${CMAKE_TOOLCHAIN_FILE} toolchain ")
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ELSE(CMAKE_TOOLCHAIN_FILE)
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MESSAGE(STATUS "Trying to figure out .....")
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SET(ENABLE_OPENMP 0)
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SET(HAVE_MPI 0)
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SET(INTEL_COMPILER 0)
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SET(HAVE_MKL 0)
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SET(HAVE_MKL_VML 0)
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SET(HAVE_ACML 0)
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SET(USE_PREFETCH 0)
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SET(PREFETCH_AHEAD 12)
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SET(HAVE_C_VARARRAYS 1)
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######################################################
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# Try to identify CPU identity
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######################################################
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SET(CPU_IDENTITY "generic")
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#INCLUDE(${PROJECT_CMAKE}/CheckProcessorID.cmake)
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#------------------------
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# On Cray's machine
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#------------------------
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IF($ENV{CRAYPE_VERSION} MATCHES ".")
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MESSAGE(STATUS "Running on a Cray machine.")
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SET(CMAKE_SKIP_RPATH TRUE)
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# Flags for ctest
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SET(USE_EXT_MPI_FOR_SERIAL_TESTS 1)
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FIND_PROGRAM(MPIEXEC aprun)
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IF(NOT MPIEXEC)
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# For slurm use srun
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FIND_PROGRAM(MPIEXEC srun)
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ENDIF(NOT MPIEXEC)
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SET(MPIEXEC_NUMPROC_FLAG "-n")
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IF(QMC_CUDA)
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IF(QMC_BUILD_STATIC)
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MESSAGE(FATAL_ERROR "Static linking is not supported with CUDA build. Set QMC_BUILD_STATIC=0 (default)!")
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ENDIF(QMC_BUILD_STATIC)
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MESSAGE(STATUS "Building GPU code. Linking dynamically.")
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ELSE(QMC_CUDA)
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IF(QMC_BUILD_STATIC)
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MESSAGE(STATUS "Building CPU code. Linking statically.")
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SET(BUILD_SHARED_LIBS off)
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SET(CMAKE_FIND_LIBRARY_SUFFIXES .a)
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FOREACH(type SHARED_LIBRARY SHARED_MODULE EXE)
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SET(CMAKE_${type}_LINK_STATIC_C_FLAGS "-Wl,-Bstatic")
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SET(CMAKE_${type}_LINK_DYNAMIC_C_FLAGS "-static")
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SET(CMAKE_${type}_LINK_STATIC_CXX_FLAGS "-Wl,-Bstatic")
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SET(CMAKE_${type}_LINK_DYNAMIC_CXX_FLAGS "-static")
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ENDFOREACH(type)
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ELSE(QMC_BUILD_STATIC)
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MESSAGE(STATUS "Building CPU code. Linking dynamically.")
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ENDIF(QMC_BUILD_STATIC)
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ENDIF(QMC_CUDA)
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ENDIF($ENV{CRAYPE_VERSION} MATCHES ".")
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#------------------------------------
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# Identify the compiler
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#------------------------------------
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IF ( CMAKE_C_COMPILER_WORKS OR CMAKE_C_COMPILER_WORKS )
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IF( (CMAKE_CXX_COMPILER_ID MATCHES "GNU") OR ( CMAKE_C_COMPILER_ID MATCHES "GNU") )
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SET( COMPILER GNU )
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ELSEIF( (CMAKE_CXX_COMPILER_ID MATCHES "XL") OR ( CMAKE_C_COMPILER_ID MATCHES "XL") )
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SET( COMPILER IBM )
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ELSEIF( (CMAKE_CXX_COMPILER_ID MATCHES "Intel") OR (CMAKE_C_COMPILER_ID MATCHES "Intel") )
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SET( COMPILER Intel )
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ELSEIF( (CMAKE_CXX_COMPILER_ID MATCHES "PGI") OR (CMAKE_C_COMPILER_ID MATCHES "PGI") )
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SET( COMPILER PGI )
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ELSEIF( (CMAKE_CXX_COMPILER_ID MATCHES "Cray") OR (CMAKE_C_COMPILER_ID MATCHES "Cray") )
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SET( COMPILER Cray )
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ELSEIF( (CMAKE_CXX_COMPILER_ID MATCHES "Clang") OR (CMAKE_C_COMPILER_ID MATCHES "Clang") )
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SET( COMPILER Clang )
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ELSE()
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SET(USING_DEFAULT TRUE)
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MESSAGE("${CMAKE_C_COMPILER_ID}")
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MESSAGE(WARNING "Unknown C/C++ compiler, default flags will be used")
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ENDIF()
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ELSE()
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MESSAGE(WARNING "No compiler identified")
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ENDIF()
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MESSAGE(STATUS "Compiler: ${COMPILER}")
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#------------------------------------
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# Include compiler-specific cmake file
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#------------------------------------
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IF( ${COMPILER} MATCHES "IBM" )
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INCLUDE(${PROJECT_CMAKE}/IBMCompilers.cmake)
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ELSEIF( ${COMPILER} MATCHES "Intel" )
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INCLUDE(${PROJECT_CMAKE}/IntelCompilers.cmake)
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ELSEIF( ${COMPILER} MATCHES "GNU" )
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INCLUDE(${PROJECT_CMAKE}/GNUCompilers.cmake)
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ELSEIF( ${COMPILER} MATCHES "Clang" )
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INCLUDE(${PROJECT_CMAKE}/ClangCompilers.cmake)
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ELSE()
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MESSAGE(WARNING "No default file for compiler (${COMPILER})")
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ENDIF()
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#-------------------------------------------------------------------
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# check MPI installation
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#-------------------------------------------------------------------
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IF(QMC_MPI)
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## mpi compilers
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GET_FILENAME_COMPONENT(BASE_CXX_COMPILER_NAME ${CMAKE_CXX_COMPILER} NAME)
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if(${BASE_CXX_COMPILER_NAME} MATCHES "^mp")
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SET(HAVE_MPI 1)
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SET(HAVE_OOMPI 1)
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SET(MPI_FOUND TRUE)
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elseif($ENV{CRAYPE_VERSION} MATCHES ".")
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SET(HAVE_MPI 1)
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SET(HAVE_OOMPI 1)
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SET(MPI_FOUND TRUE)
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else()
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include(FindMPI)
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IF(MPI_FOUND)
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MESSAGE(STATUS "Found mpi.h and libraries. Check for working mpi compiler ")
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INCLUDE_DIRECTORIES(${MPI_CXX_INCLUDE_PATH})
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FILE(WRITE ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/testmpi.cxx
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"#include <mpi.h>"
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"int main(int argc, char** argv){MPI_Init(&argc,&argv); MPI_Finalize();return 0;}\n")
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#TRY_COMPILE(MPI_WORKS ${CMAKE_BINARY_DIR}
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#${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/testmpi.cxx
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#OUTPUT_VARIABLE OUTPUT)
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set(MPI_WORKS 1)
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SET(MPI_WARNING_LIST
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"Building MPI version without using MPI compiler wrappers.\n"
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"This may not build qmcpack correctly. To ensure the correct version, specify the compiler wrappers to cmake.\n"
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"For example: cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpic++\n"
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"To build without MPI, pass '-DQMC_MPI=0' to cmake")
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MESSAGE(WARNING ${MPI_WARNING_LIST})
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IF(MPI_WORKS)
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MESSAGE(STATUS "MPI is enabled")
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SET(HAVE_MPI 1)
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SET(HAVE_OOMPI 1)
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LINK_LIBRARIES(${MPI_CXX_LIBRARIES})
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ELSE(MPI_WORKS)
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MESSAGE(STATUS "MPI is disabled")
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SET(HAVE_MPI 0)
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SET(HAVE_OOMPI 0)
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SET(MPI_LIBRARY "")
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ENDIF(MPI_WORKS)
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ELSE(MPI_FOUND)
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MESSAGE(STATUS "MPI not found")
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SET(MPI_LIBRARY "")
|
|
ENDIF(MPI_FOUND)
|
|
ENDIF()
|
|
ENDIF(QMC_MPI)
|
|
|
|
#-------------------------------------------------------------------
|
|
# check lapack/blas
|
|
#-------------------------------------------------------------------
|
|
# Quick search for MKL (this will need to be improved). Currently only for Intel compilers
|
|
IF (INTEL_COMPILER)
|
|
INCLUDE(CMake/FindMKL.cmake)
|
|
ENDIF(INTEL_COMPILER)
|
|
IF ( HAVE_MKL )
|
|
# We found MKL, add the link library
|
|
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${MKL_FLAGS}")
|
|
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${MKL_FLAGS}")
|
|
SET(LAPACK_FOUND 1)
|
|
SET(LAPACK_LIBRARIES "${MKL_LIBRARIES}")
|
|
SET(LAPACK_LINKER_FLAGS "${MKL_LINKER_FLAGS}")
|
|
ELSEIF ( $ENV{CRAYPE_VERSION} MATCHES "." )
|
|
# Cray specific environment variable indicates we are on a cray. Assume libsci will be linked
|
|
# preferable to attempt a compile/link
|
|
SET(LAPACK_FOUND 1)
|
|
MESSAGE(STATUS "Assuming Cray libsci or other BLAS/LAPACK will be linked by compiler wrappers")
|
|
ELSE()
|
|
# Search for Blas/Lapack
|
|
find_package(LAPACK)
|
|
# When cmake finds and sets up the MKL libraries with a non-Intel compiler, set the flag
|
|
# This should be tidied up when FindMKL.cmake supports non-Intel compilers.
|
|
IF("${LAPACK_LIBRARIES}" MATCHES "mkl")
|
|
MESSAGE(STATUS "MKL found via LAPACK/BLAS")
|
|
SET( MKL_FOUND 1 )
|
|
SET( HAVE_MKL 1 )
|
|
ENDIF()
|
|
ENDIF()
|
|
IF(LAPACK_FOUND)
|
|
MESSAGE(STATUS "LAPACK libraries: ${LAPACK_LIBRARIES}")
|
|
MESSAGE(STATUS "LAPACK linker flags: ${LAPACK_LINKER_FLAGS}")
|
|
SET(LAPACK_LIBRARY ${LAPACK_LIBRARIES} ${LAPACK_LINKER_FLAGS})
|
|
ELSE()
|
|
MESSAGE(FATAL_ERROR "Could not find required libraries LAPACK &/or BLAS")
|
|
ENDIF()
|
|
|
|
INCLUDE(CMake/FindVectorMath.cmake)
|
|
|
|
ENDIF(CMAKE_TOOLCHAIN_FILE)
|
|
|
|
IF (ENABLE_GCOV)
|
|
IF (NOT GCOV_SUPPORTED)
|
|
MESSAGE(FATAL_ERROR "ENABLE_GCOV was specified but compiler does not support GCC coverage flag")
|
|
ENDIF()
|
|
ENDIF(ENABLE_GCOV)
|
|
|
|
# Require C++11 while leaving possibility to fall back by modifying this file
|
|
SET(CXX11_NEEDED TRUE)
|
|
IF(CXX11_NEEDED)
|
|
SET(CXX11_FLAG "-std=c++11")
|
|
#check if the CXX compiler supports -std=c++11 option
|
|
include(CheckCXXCompilerFlag)
|
|
CHECK_CXX_COMPILER_FLAG(${CXX11_FLAG} CXX_COMPILER_SUPPORT_CXX11)
|
|
# Turn on C++11 for this code
|
|
|
|
# Force the flag on Cray with Intel compiler, because the Cray wrapper
|
|
# prints an warning that interferes with the flag detection code
|
|
# with older versions of CMake.
|
|
IF($ENV{CRAYPE_VERSION} MATCHES ".")
|
|
IF( ${COMPILER} MATCHES "Intel" AND NOT CXX_COMPILER_SUPPORT_CXX11)
|
|
SET(CXX_COMPILER_SUPPORT_CXX11 TRUE)
|
|
MESSAGE(STATUS "Forcing C++11 support on Cray with Intel")
|
|
ENDIF()
|
|
ENDIF()
|
|
|
|
IF (CXX_COMPILER_SUPPORT_CXX11)
|
|
# avoid repeated -std=c++11 flag
|
|
STRING(REPLACE "++" "\\+\\+" CXX11_FLAG_MATCH ${CXX11_FLAG})
|
|
IF(NOT CMAKE_CXX_FLAGS MATCHES ${CXX11_FLAG_MATCH})
|
|
SET (CMAKE_CXX_FLAGS "${CXX11_FLAG} ${CMAKE_CXX_FLAGS}")
|
|
ENDIF()
|
|
ELSE()
|
|
MESSAGE(FATAL_ERROR "A compiler supporting C++11 is required. Use a newer C++ compiler.")
|
|
ENDIF()
|
|
ENDIF(CXX11_NEEDED)
|
|
|
|
# AFQMC requires MKL sparse for good performance (roughly a factor of 2x)
|
|
IF (BUILD_AFQMC AND NOT MKL_FOUND)
|
|
MESSAGE(WARNING "AFQMC - MKL not found, using simple sparse matrix routines. Link with MKL sparse libraries for better performance.")
|
|
ENDIF()
|
|
|
|
# AFQMC requires MPI
|
|
If (BUILD_AFQMC AND NOT QMC_MPI)
|
|
MESSAGE(FATAL_ERROR "AFQMC requires building with MPI (QMC_MPI=1). Set BUILD_AFQMC=0 or configure MPI.")
|
|
ENDIF()
|
|
|
|
IF (BUILD_AFQMC AND NOT APPLE)
|
|
LINK_LIBRARIES("rt")
|
|
ENDIF()
|
|
|
|
# setup ctest variables
|
|
IF ( HAVE_MPI )
|
|
SET( USE_MPI 1 )
|
|
IF ( NOT MPIEXEC )
|
|
SET( MPIEXEC "mpirun" )
|
|
ENDIF()
|
|
|
|
IF ( NOT DEFINED MPIEXEC_NUMPROC_FLAG )
|
|
SET( MPIEXEC_NUMPROC_FLAG "-np" )
|
|
ENDIF()
|
|
|
|
IF ( NOT TEST_MAX_PROCS )
|
|
SET( TEST_MAX_PROCS 100 )
|
|
ENDIF()
|
|
|
|
MESSAGE(STATUS "MPI runner is ${MPIEXEC}")
|
|
ENDIF(HAVE_MPI)
|
|
|
|
MESSAGE(STATUS "CXX compiler flags: ${CMAKE_CXX_FLAGS}")
|
|
MESSAGE(STATUS "CC compiler flags: ${CMAKE_C_FLAGS}")
|
|
|
|
SET(HAVE_OOMPI ${HAVE_MPI})
|
|
INCLUDE(${CMAKE_ROOT}/Modules/FindThreads.cmake)
|
|
|
|
####################################################################
|
|
#First check the required libraries. Abort if these are not found.
|
|
#Changed the fall-back versions to use similar conventions to 2.8.0 and higher
|
|
####################################################################
|
|
# use customized cmake file for boost so that we can deal with multiple
|
|
# installataions
|
|
# list of libraries to be linked with the main applications using I/O
|
|
|
|
SET(QMC_UTIL_LIBS ${LAPACK_LIBRARY} ${BLAS_LIBRARY})
|
|
|
|
SET( FFTW_FOUND 0 )
|
|
IF ( HAVE_MKL )
|
|
IF ( HAVE_MKL_FFTW3 )
|
|
SET( FFTW_FOUND 1 )
|
|
ENDIF()
|
|
ENDIF()
|
|
IF ( NOT FFTW_FOUND )
|
|
find_package(FFTW)
|
|
ENDIF()
|
|
IF(FFTW_FOUND)
|
|
SET(HAVE_LIBFFTW 1)
|
|
INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
|
|
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FFTW_LIBRARIES})
|
|
MESSAGE(STATUS "Found FFTW")
|
|
ELSE(FFTW_FOUND)
|
|
# MESSAGE(STATUS "Disabling FFTW")
|
|
MESSAGE(FATAL_ERROR "Could not find required library FFTW. Verify FFTW_HOME")
|
|
ENDIF(FFTW_FOUND)
|
|
|
|
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FORTRAN_LIBRARIES})
|
|
|
|
find_package(ZLIB)
|
|
#find_package(LibXml2)
|
|
INCLUDE(CMake/FindLibxml2QMC.cmake)
|
|
|
|
IF(LIBXML2_FOUND)
|
|
INCLUDE_DIRECTORIES(${LIBXML2_INCLUDE_DIR})
|
|
SET(HAVE_LIBXML2 1)
|
|
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${LIBXML2_LIBRARIES})
|
|
ELSE()
|
|
MESSAGE(FATAL_ERROR "Could not find required library Libxml2")
|
|
ENDIF(LIBXML2_FOUND)
|
|
|
|
set(HDF5_USE_STATIC_LIBRARIES off)
|
|
if(QMC_BUILD_STATIC)
|
|
set(HDF5_USE_STATIC_LIBRARIES on)
|
|
endif()
|
|
|
|
SET(HDF5_PREFER_PARALLEL 0)
|
|
IF(HAVE_MPI)
|
|
SET(HDF5_PREFER_PARALLEL 1)
|
|
ENDIF()
|
|
find_package(HDF5 COMPONENTS C)
|
|
IF(HDF5_FOUND)
|
|
SET(HAVE_LIBHDF5 1)
|
|
INCLUDE_DIRECTORIES(${HDF5_INCLUDE_DIR})
|
|
IF ( CMAKE_BUILD_TYPE AND HDF5_LIBRARIES_DEBUG )
|
|
IF ( CMAKE_BUILD_TYPE MATCHES DEBUG )
|
|
SET( HDF5_LIBRARIES ${HDF5_LIBRARIES_DEBUG} )
|
|
ELSE()
|
|
SET( HDF5_LIBRARIES ${HDF5_LIBRARIES_RELEASE} )
|
|
ENDIF()
|
|
ENDIF()
|
|
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${HDF5_LIBRARIES})
|
|
if(ZLIB_LIBRARY)
|
|
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${ZLIB_LIBRARY})
|
|
endif(ZLIB_LIBRARY)
|
|
#IF(SZLIB_FOUND)
|
|
# SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${SZLIB_LIBRARIES})
|
|
#ENDIF(SZLIB_FOUND)
|
|
IF(HDF5_IS_PARALLEL)
|
|
IF(ENABLE_PHDF5)
|
|
MESSAGE(STATUS "Using HDF5 parallel collective I/O")
|
|
ELSE(ENABLE_PHDF5)
|
|
MESSAGE(STATUS "Using HDF5 non-scalable serial I/O")
|
|
ENDIF(ENABLE_PHDF5)
|
|
ELSE(HDF5_IS_PARALLEL)
|
|
IF(ENABLE_PHDF5)
|
|
MESSAGE(STATUS "Using HDF5 non-scalable serial I/O due to the lack of library support for parallel")
|
|
SET(ENABLE_PHDF5 0)
|
|
ELSE(ENABLE_PHDF5)
|
|
MESSAGE(STATUS "Using HDF5 non-scalable serial I/O")
|
|
ENDIF(ENABLE_PHDF5)
|
|
ENDIF(HDF5_IS_PARALLEL)
|
|
ELSE(HDF5_FOUND)
|
|
if(NOT QMC_PHI)
|
|
MESSAGE(FATAL_ERROR "Require hdf5 1.6.4 or higher. Set HDF5_ROOT")
|
|
endif()
|
|
ENDIF(HDF5_FOUND)
|
|
|
|
#make sure we can find boost if it's not in /usr
|
|
set(Boost_NO_BOOST_CMAKE on)
|
|
find_package(Boost REQUIRED)
|
|
IF(Boost_FOUND)
|
|
SET(HAVE_LIBBOOST 1)
|
|
INCLUDE_DIRECTORIES(${Boost_INCLUDE_DIRS})
|
|
MESSAGE(STATUS "Setting Boost_INCLUDE_DIRS=${Boost_INCLUDE_DIRS}")
|
|
ELSE()
|
|
MESSAGE(STATUS "Using MT engine in Utilities/MersenneTwister.h")
|
|
#MESSAGE(FATAL_ERROR "Require boost 1.33.x or higher. Set BOOST_ROOT")
|
|
ENDIF()
|
|
|
|
SET(HAVE_CUDA 0)
|
|
IF(QMC_CUDA)
|
|
set(CUDA_PROPAGATE_HOST_FLAGS OFF)
|
|
FIND_PACKAGE(CUDA REQUIRED)
|
|
#set(CUDA_NVCC_FLAGS
|
|
# "-arch=sm_20;-Drestrict=__restrict__;-DNO_CUDA_MAIN;-O3;-use_fast_math")
|
|
if(CUDA_NVCC_FLAGS MATCHES "arch")
|
|
# User defined NVCC flags
|
|
MESSAGE(STATUS "Setting CUDA FLAGS=${CUDA_NVCC_FLAGS}")
|
|
else(CUDA_NVCC_FLAGS MATCHES "arch")
|
|
# Automatically set the default NVCC flags
|
|
SET(CUDA_NVCC_FLAGS "-Drestrict=__restrict__;-DNO_CUDA_MAIN")
|
|
if (QMC_COMPLEX)
|
|
SET(CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS};-DQMC_COMPLEX")
|
|
endif()
|
|
if ( CMAKE_BUILD_TYPE STREQUAL "DEBUG" )
|
|
SET(CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS};-g;-G")
|
|
else()
|
|
# Temporarily disable fast_math because it causes multiple test failures
|
|
# SET(CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS};-O3;-use_fast_math")
|
|
SET(CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS};-O3")
|
|
ENDIF()
|
|
SET( CUDA_ARCH sm_35 CACHE STRING "CUDA architecture sm_XX")
|
|
SET(CUDA_NVCC_FLAGS "-arch=${CUDA_ARCH};${CUDA_NVCC_FLAGS}")
|
|
endif(CUDA_NVCC_FLAGS MATCHES "arch")
|
|
set(HAVE_CUDA 1)
|
|
MESSAGE(" CUDA_NVCC_FLAGS=${CUDA_NVCC_FLAGS}")
|
|
ELSE(QMC_CUDA)
|
|
MESSAGE(STATUS "Disabling CUDA")
|
|
ENDIF(QMC_CUDA)
|
|
|
|
#INCLUDE(${PROJECT_CMAKE}/FindPkgConfig.cmake)
|
|
##################################################################
|
|
# TODO:use profile tools
|
|
##################################################################
|
|
#IF(MPIP_PROFILE)
|
|
# LINK_LIBRARIES("/usr/apps/tools/mpip/lib/cmpi/libmpiP.a")
|
|
# LINK_LIBRARIES("/usr/lib/libbfd.a")
|
|
# LINK_LIBRARIES("/usr/lib/libiberty.a")
|
|
#ENDIF(MPIP_PROFILE)
|
|
#if(ENABLE_TAU_PROFILE)
|
|
# INCLUDE(${PROJECT_CMAKE}/FindTau.cmake)
|
|
#endif(ENABLE_TAU_PROFILE)
|
|
# #add tau stuff
|
|
# IF(FOUND_TAU)
|
|
# ADD_DEFINITIONS(
|
|
# -DTAU_MPI
|
|
# -DTAU_MPI_THREADED
|
|
# -DTAU_MPIGREQUEST
|
|
# -DTAU_MPIDATAREP
|
|
# -DTAU_MPIERRHANDLER
|
|
# -DTAU_MPIATTRFUNCTION
|
|
# -DTAU_MPITYPEEX
|
|
# -DTAU_MPIADDERROR
|
|
# )
|
|
# #build libtau
|
|
# subdirs(src/tau)
|
|
# LINK_LIBRARIES(tau)
|
|
# ENDIF(FOUND_TAU)
|
|
#IF(FOUND_TAU)
|
|
# INCLUDE_DIRECTORIES(${TAU_INCLUDE_DIR})
|
|
# ADD_DEFINITIONS (-DPROFILING_ON
|
|
# -DTAU_STDCXXLIB
|
|
# -DTAU_DOT_H_LESS_HEADERS
|
|
# -DTAU_CALLPATH
|
|
# -DTAU_LARGEFILE64_SOURCE
|
|
# -DTAU_BFD
|
|
# )
|
|
# if(ENABLE_OPENMP)
|
|
# ADD_DEFINITIONS(-DTAU_OPENMP)
|
|
# endif(ENABLE_OPENMP)
|
|
#ENDIF(FOUND_TAU)
|
|
|
|
######################################################
|
|
# Add optional macros
|
|
######################################################
|
|
|
|
#include qmcpack/src build/src
|
|
INCLUDE_DIRECTORIES( ${PROJECT_SOURCE_DIR}/src ${PROJECT_BINARY_DIR}/src)
|
|
|
|
######################################################################
|
|
# Manage Einspline library
|
|
# - toolchain file can set
|
|
# - check if libeinspline can be found in $EINSPLINE_HOME/include and
|
|
# $EINSPLINE_HOME/lib
|
|
# - if not found, build it from the source directory in $EINSPLINE_HOME
|
|
# - if everything fails, do not use it
|
|
######################################################################
|
|
SET(HAVE_EINSPLINE 1)
|
|
set(build_einspline 1)
|
|
#if(HAVE_EINSPLINE_EXT)
|
|
# set(HAVE_EINSPLINE 0)
|
|
# INCLUDE(${PROJECT_CMAKE}/FindEinspline.cmake)
|
|
# IF(EINSPLINE_FOUND)
|
|
# INCLUDE_DIRECTORIES(${EINSPLINE_INCLUDE_DIR})
|
|
# SET(QMC_UTIL_LIBS ${EINSPLINE_LIBRARIES} ${QMC_UTIL_LIBS})
|
|
# set(build_einspline 0)
|
|
# endif()
|
|
#endif()
|
|
if(build_einspline)
|
|
SUBDIRS(src/einspline)
|
|
INCLUDE_DIRECTORIES(${PROJECT_BINARY_DIR}/include)
|
|
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} einspline)
|
|
endif()
|
|
|
|
IF(BUILD_LMYENGINE_INTERFACE)
|
|
ADD_DEFINITIONS(-DHAVE_LMY_ENGINE)
|
|
SET(FORMIC_BINARY_DIR ${qmcpack_BINARY_DIR})
|
|
SUBDIRS(src/formic/utils)
|
|
SET(QMC_UTIL_LIBS formic_utils ${QMC_UTIL_LIBS})
|
|
ENDIF(BUILD_LMYENGINE_INTERFACE)
|
|
|
|
#include(ExternalProject)
|
|
# set(einspline_PREFIX "${CMAKE_CURRENT_BINARY_DIR}/einspline")
|
|
# set(einspline_INSTALL_DIR "${CMAKE_CURRENT_BINARY_DIR}/einspline")
|
|
# set(einspline_CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${einspline_INSTALL_DIR})
|
|
#ExternalProject_Add(
|
|
# einspline
|
|
# SVN_REPOSITORY http://qmctools.googlecode.com/svn/ext-packages/einspline
|
|
# )
|
|
# INSTALL_DIR ${einspline_INSTALL_DIR}
|
|
# CMAKE_ARGS ${einspline_CMAKE_ARGS}
|
|
# )
|
|
# find_package(einspline REQUIRED)
|
|
# set(HAVE_EINSPLINE 1)
|
|
#######################################################################
|
|
## Manage GTK+ and GTKMM packages for GUI
|
|
## search headers and libraries
|
|
## 1) -lXYZ-${XYZ_VERSION}
|
|
## 2) -lXYZ
|
|
## example: -lgtk-${GTK_VERSION} | -lgtk
|
|
#######################################################################
|
|
#SET(GTK_VERSION 2.0)
|
|
#SET(PANGO_VERSION 1.0)
|
|
#
|
|
#SET(GTKMM_VERSION 2.4)
|
|
#SET(PANGOMM_VERSION 1.4)
|
|
#SET(SIGCPP_VERSION 2.0)
|
|
#IF(ENABLE_GTK_GUI)
|
|
# INCLUDE(${PROJECT_CMAKE}/FindGTK.cmake)
|
|
# #THIS SHOULD GO TO the directory where GUI is built
|
|
# IF(GTKMM_FOUND)
|
|
# INCLUDE_DIRECTORIES(${GTKMM_INCLUDE_DIR})
|
|
# LINK_LIBRARIES(${GTKMM_LIBRARIES})
|
|
# ENDIF(GTKMM_FOUND)
|
|
#ENDIF(ENABLE_GTK_GUI)
|
|
|
|
###############################################################
|
|
# for specific linker in the case of profiling like hpctoolkit.
|
|
###############################################################
|
|
if(CMAKE_CXX_LINKER)
|
|
set(CMAKE_CXX_LINK_EXECUTABLE
|
|
"${CMAKE_CXX_LINKER} <FLAGS> <CMAKE_CXX_LINK_FLAGS> <LINK_FLAGS> <OBJECTS> -o <TARGET> <LINK_LIBRARIES>")
|
|
MESSAGE(STATUS "Linker is specified as '${CMAKE_CXX_LINKER}' instead of '${CMAKE_CXX_COMPILER}'")
|
|
endif()
|
|
|
|
###################################################
|
|
# Add user extra flags
|
|
###################################################
|
|
IF(QMC_INCLUDE)
|
|
FOREACH ( tmp ${QMC_INCLUDE} )
|
|
MESSAGE(STATUS "Adding '${tmp}' to include directories")
|
|
INCLUDE_DIRECTORIES( "${tmp}" )
|
|
ENDFOREACH()
|
|
ENDIF()
|
|
IF(QMC_EXTRA_LIBS)
|
|
string(REPLACE " " ";" QMC_EXTRA_LIBS ${QMC_EXTRA_LIBS})
|
|
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${QMC_EXTRA_LIBS})
|
|
MESSAGE("QMC_UTIL_LIBS=${QMC_UTIL_LIBS}")
|
|
ENDIF()
|
|
|
|
# Avoid unused variables warnings (for now) by using for information purposes
|
|
IF(QMC_DATA)
|
|
MESSAGE(STATUS "QMC_DATA is ${QMC_DATA}")
|
|
ENDIF()
|
|
IF(ENABLE_GCOV)
|
|
MESSAGE(STATUS "GCOV is enabled")
|
|
ENDIF()
|
|
|
|
###################################################
|
|
# Done searching libraries. Start building qmcpack
|
|
###################################################
|
|
|
|
MESSAGE(STATUS "Ready to build qmcpack")
|
|
|
|
####################################################################
|
|
# add definitions
|
|
# -DH5_USE_16_API for HDF5
|
|
# -DMPICH_SKIP_MPICXX : disable C++ binding of MPICH
|
|
####################################################################
|
|
|
|
ADD_DEFINITIONS(-DHAVE_CONFIG_H -DH5_USE_16_API -DUSE_REAL_STRUCT_FACTOR -DINLINE_ALL=inline -DADD_)
|
|
|
|
if(HAVE_MPI)
|
|
ADD_DEFINITIONS(-DMPICH_SKIP_MPICXX)
|
|
endif()
|
|
#ADD_DEFINITIONS(-DDISABLE_WS_CELL)
|
|
|
|
EXECUTE_PROCESS(COMMAND hostname OUTPUT_VARIABLE QMC_HOSTNAME OUTPUT_STRIP_TRAILING_WHITESPACE)
|
|
CONFIGURE_FILE(${qmcpack_SOURCE_DIR}/qmcpack.settings ${qmcpack_BINARY_DIR}/bin/qmcpack.settings)
|
|
|
|
#########################
|
|
# add definitions for adios profile
|
|
# add definitions for adios verification
|
|
########################
|
|
IF(QMC_ADIOS)
|
|
#ADD_DEFINITIONS(-DIO_PROFILE)
|
|
#ADD_DEFINITIONS(-DADIOS_VERIFY)
|
|
ADD_DEFINITIONS(-DWRITE_GLOBAL)
|
|
ENDIF(QMC_ADIOS)
|
|
|
|
SUBDIRS(src)
|
|
|
|
IF(NOT(QMC_BUILD_LEVEL GREATER 4))
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|
SUBDIRS(tests)
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|
SUBDIRS(examples)
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|
SUBDIRS(nexus/examples)
|
|
ENDIF()
|
|
|
|
#ADD_CUSTOM_TARGET(print_settings ALL
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|
# ${CMAKE_COMMAND} -E echo "Print build settings"
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|
# VERBATIM)
|
|
#
|
|
#add_custom_command(TARGET print_settings
|
|
# POST_BUILD
|
|
# COMMAND svn info ${qmcpack_SOURCE_DIR})
|
|
#
|
|
#file(APPEND ${qmcpack_BINARY_DIR}/bin/qmcpack.settings ${print_settings})
|