qmcpack/CMakeLists.txt

PROJECT(qmcpack)

CMAKE_MINIMUM_REQUIRED(VERSION 2.8)

#####################################################
SET(CMAKE_FALLBACK FALSE)
if(${CMAKE_MAJOR_VERSION} VERSION_LESS "3") 
if(${CMAKE_MINOR_VERSION} VERSION_LESS "8") 
  MESSAGE(WARNING ">>>> Recommend using cmake version 2.8.0 and higher. Using old cmake scripts. <<<< ")
  SET(CMAKE_FALLBACK TRUE)
endif(${CMAKE_MINOR_VERSION} VERSION_LESS "8")
endif(${CMAKE_MAJOR_VERSION} VERSION_LESS "3") 

if(COMMAND cmake_policy)
  cmake_policy(SET CMP0003 NEW)
endif(COMMAND cmake_policy)


######################################################################
# Version 
######################################################################
SET(QMCPLUSPLUS_VERSION_MAJOR 1)
SET(QMCPLUSPLUS_VERSION_MINOR 0)
SET(QMCPLUSPLUS_VERSION_PATCH 0)
SET(QMCPLUSPLUS_VERSION "${QMCPLUSPLUS_VERSION_MAJOR}.${QMCPLUSPLUS_VERSION_MINOR}.${QMCPLUSPLUS_VERSION_PATCH}")

######################################################################
# CTest 
######################################################################
SET( DROP_METHOD "http" )
SET( DROP_SITE "cdash.qmcpack.org" )
SET( DROP_LOCATION "/CDash/submit.php?project=QMCPACK" )
SET( TRIGGER_SITE "" )
SET( DROP_SITE_CDASH TRUE )
ENABLE_TESTING()
INCLUDE( CTest )

######################################################################
# Build level
######################################################################
SET(QMC_BUILD_LEVEL 3 CACHE INTEGER 
  "QMC Build Level: 1=bare, 2=developer, 3=experimental, 4=minimal")

######################################################################
#define the paths for library and executable for out-of-soruce compilation
######################################################################
SET (LIBRARY_OUTPUT_PATH ${qmcpack_BINARY_DIR}/lib CACHE PATH "Single output directory for building all libraries.")
SET (EXECUTABLE_OUTPUT_PATH ${qmcpack_BINARY_DIR}/bin CACHE PATH "Single output directory for building all executables.")

######################################################################
# build include and library paths required for the projects
# For XYZ library, set an environment as
# export XYZ_HOME='root-of-the-library'
# XYZ_HOME/include
# XYZ_HOME/lib
# IF XYZ library is found, XYZ_FOUND is set to true
#
# find_package is used with cmake 2.8 and higher
######################################################################
#if(APPLE)
#  set(QMC_INCLUDE_PATHS ${QMC_INCLUDE_PATHS} /sw/include)
#  set(QMC_LIBRARY_PATHS ${QMC_LIBRARY_PATHS} /sw/lib)
#endif(APPLE)

######################################################################
# Set the compiler-time parameters
# OHMMS_DIM =  dimension of the problem
# OHMMS_INDEXTYPE = type of index
# OHMMS_PRECISION  = base precision, float, double etc
# QMC_COMPLEX = true if using complex wavefunctions
# QMC_MPI =  enable MPI 
# QMC_OMP = enable OMP 
# QMC_BITS = 32/64 bit
######################################################################
SET(OHMMS_DIM 3 CACHE INTEGER "Select physical dimension")
SET(OHMMS_INDEXTYPE int)
SET(OHMMS_PRECISION double)
SET(APP_PRECISION double)
SET(CUDA_PRECISION float)
#SET(CUDA_PRECISION double)

######################################################################
# enable MPI and OPNEMP  if possible
######################################################################
SET(QMC_MPI 1 CACHE BOOL "Enable/disable MPI")
SET(QMC_OMP 1 CACHE BOOL "Enable/disable OpenMP")
SET(QMC_BITS 64 CACHE INTEGER "Select OS bit")
SET(QMC_COMPLEX 0 CACHE INTEGER "Build for complex binary")
SET(PRINT_DEBUG 0 CACHE BOOL "Enable/disable debug printing")
SET(QMC_CUDA 0 CACHE BOOL "Build with GPU support through CUDA")
SET(QMC_ADIOS 0 CACHE BOOL "Build with ADIOS")

######################################################################
# set debug printout
# DEBUG_PSIBUFFER_ON keep track buffer's locator
######################################################################
SET(DEBUG_PSIBUFFER_ON 0 CACHE BOOL "Build with GPU support through CUDA")
######################################################################
# check environment variables 
# todo: disallow environment
######################################################################
IF($ENV{QMC_MPI})
  SET(QMC_MPI $ENV{QMC_MPI}) 
  MESSAGE(STATUS "Found environment QMC_MPI=${QMC_MPI}")
ENDIF($ENV{QMC_MPI})
IF($ENV{QMC_OMP})
  SET(QMC_OMP $ENV{QMC_OMP}) 
  MESSAGE(STATUS "Found environment QMC_OMP=${QMC_OMP}")
ENDIF($ENV{QMC_OMP})
IF($ENV{QMC_BITS})
  SET(QMC_BITS $ENV{QMC_BITS})
  MESSAGE(STATUS "Found environment QMC_BITS=${QMC_BITS}")
ENDIF($ENV{QMC_BITS})
IF($ENV{QMC_COMPLEX})
  SET(QMC_COMPLEX $ENV{QMC_COMPLEX})
  MESSAGE(STATUS "Found environment QMC_COMPLEX=${QMC_COMPLEX}")
ENDIF($ENV{QMC_COMPLEX})

######################################################################
# Standard test
######################################################################
SET(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/CMake" ${CMAKE_MODULE_PATH})


######################################################################
# add macros to compile einspline if necessary
######################################################################
INCLUDE(${CMAKE_ROOT}/Modules/CheckFunctionExists.cmake)
INCLUDE(${CMAKE_ROOT}/Modules/CheckIncludeFile.cmake)
INCLUDE(${CMAKE_ROOT}/Modules/CheckTypeSize.cmake)

CHECK_FUNCTION_EXISTS(sincos HAVE_SINCOS)
CHECK_FUNCTION_EXISTS(round HAVE_STD_ROUND)
CHECK_FUNCTION_EXISTS(floor HAVE_FLOOR)
CHECK_FUNCTION_EXISTS(posix_memalign HAVE_POSIX_MEMALIGN)
CHECK_FUNCTION_EXISTS(pow HAVE_POW)
CHECK_FUNCTION_EXISTS(sqrt HAVE_SQRT)

CHECK_INCLUDE_FILE(dlfcn.h HAVE_DLFCN_H)
CHECK_INCLUDE_FILE(inttypes.h HAVE_INTTYPES_H)
CHECK_INCLUDE_FILE(memory.h HAVE_MEMORY_H)
CHECK_INCLUDE_FILE(pmmintrin.h HAVE_PMMINTRIN_H)
CHECK_INCLUDE_FILE(emmintrin.h HAVE_EMMINTRIN_H)
CHECK_INCLUDE_FILE(sys/stat.h HAVE_SYS_STAT_H)
CHECK_INCLUDE_FILE(sys/time.h HAVE_SYS_TIME_H)
CHECK_INCLUDE_FILE(sys/types.h HAVE_SYS_TYPES_H)
CHECK_INCLUDE_FILE(unistd.h HAVE_UNISTD_H)

######################################################################
# Build options
# QMC_BUILD_STATIC build static/dynamic  libraries
# BUILD_QMCTOOLS   build utility programs
# BUILD_SANDBOX    build test programs
# MPIP_PROFILE     profile mpi performance
######################################################################
#SET(BUILD_QMCTOOLS 1 CACHE BOOL "Build tools for QMCPACK")
#SET(BUILD_SANDBOX 0 CACHE BOOL "Build snadbox for testing")
#SET(MPIP_PROFILE 0 CACHE BOOL "Build with mpip for mpi profile")
#SET(BUILD_QMCTOOLS 1)
#SET(BUILD_SANDBOX 0)
#SET(MPIP_PROFILE 0)
#option(QMC_BUILD_STATIC "Link to static libraries" OFF)

######################################################################
# Performance-related macros
# QMC_SK_USE_RECURSIVE enable/disable recursive evalaution of SK
######################################################################
SET(QMC_SK_USE_RECURSIVE 0)
IF($ENV{QMC_SK_RECURSIVE})
  MESSAGE(STATUS "SK structure factor uses a recursive algorithm.")
  SET(QMC_SK_USE_RECURSIVE $ENV{QMC_SK_RECURSIVE}) 
ENDIF($ENV{QMC_SK_RECURSIVE})

######################################################################
# FIXED PARAMETERS for test and legacy reasons
# DO NOT TOUCH THESE
# QMC_ORTHO  = 0 for general unit cell, 1 for orthogonal cells
# QMC_FASTWALKER  = true, when operation is faster for each walker
######################################################################
SET(QMC_FASTWALKER 1)
SET(OHMMS_ORTHO 0)

######################################################################
#list of options to determine libraries. First, try to use libraries available
#FindXYZ.cmake will set the values if successful
######################################################################
SET(ENABLE_PHDF5 0 CACHE BOOL "Enable phdf5 for output")
SET(HAVE_LIBXML2 1)
SET(HAVE_LIBFFTW 0)
SET(HAVE_LIBXMLPP 0)
SET(HAVE_LIBHDF5 0)
SET(HAVE_LIBSPRNG 0)
SET(HAVE_LIBBLITZ 0)
SET(HAVE_LIBGSL 0)
SET(MAC_VECLIB 0)
SET(ENABLE_GTK_GUI 0)
set(ENABLE_TAU_PROFILE 0 CACHE BOOL "Enable tau for profiling")
set(TAU_HOME $ENV{TAU_HOME})

######################################################
# Directory where customize cmake files reside
######################################################
SET (PROJECT_CMAKE ${qmcpack_SOURCE_DIR}/CMake)

######################################################
# set ADIOS flags 
######################################################
IF(QMC_ADIOS)
  IF(NOT HAVE_ADIOS)
    SET (ADIOS_FOUND 0)
    INCLUDE(${PROJECT_CMAKE}/FindADIOS.cmake)
    IF (${ADIOS_FOUND} EQUAL 1)
      INCLUDE_DIRECTORIES(${ADIOS_INCLUDES})
      MESSAGE(STATUS "Found ADIOS")
      LINK_LIBRARIES(${ADIOS_LIBRARIES})
      ADD_DEFINITIONS(-DHAVE_ADIOS)
    ELSE()
      MESSAGE(STATUS "Couldn't find ADIOS")
      MESSAGE(FATAL_ERROR "ADIOS_HOME: export ADIOS_HOME=/path/to/adios")
    ENDIF()
	ELSE()
		ADD_DEFINITIONS(-DHAVE_ADIOS)
  endif()
ENDIF(QMC_ADIOS)

######################################################
# Get the current SVN version
######################################################
SET(QMCPLUSPLUS_SVN_LAST_CHANGED "2008-05-12")
SET(QMCPLUSPLUS_BRANCH "00000") # Will be edited on export, do not edit. Exact match required.
SET(QMCPLUSPLUS_LAST_CHANGED_DATE "2001-01-01") # Will be edited on export, do not edit. Exact match required.
FIND_PACKAGE(Subversion) 
IF(Subversion_FOUND) 
  IF (EXISTS "${PROJECT_SOURCE_DIR}/.svn") # Avoid using svn with exported files
    Subversion_WC_INFO(${PROJECT_SOURCE_DIR} my) 
    MESSAGE(STATUS "Current revision : ${my_WC_REVISION} modified on ${Project_WC_LAST_CHANGED_DATE}") 
    SET(QMCPLUSPLUS_BRANCH ${my_WC_REVISION}) 
    SET(QMCPLUSPLUS_LAST_CHANGED_DATE ${my_WC_LAST_CHANGED_DATE}) 
  ENDIF()
ENDIF()

######################################################
#COMPILER choose one of the cmake files to customize the compiler options
#If nothing is chosen, default settings by cmake will  be used.
#If the automatic detection does not work, comment out everything 
#upto COMPILER MANUAL SELECTION and use one of the customized cmake file.
######################################################
INCLUDE(${CMAKE_ROOT}/Modules/TestCXXAcceptsFlag.cmake)
INCLUDE(${CMAKE_ROOT}/Modules/CheckCCompilerFlag.cmake)


######################################################
# DO NOT MODIFY BELOW
# If you like to customize your build, create a toolchain as instructed
######################################################
######################################################
# now set the compiler flags and the macros in src/config.h
######################################################
IF(CMAKE_TOOLCHAIN_FILE)
  MESSAGE(STATUS "Using ${CMAKE_TOOLCHAIN_FILE} toolchain ")
ELSE(CMAKE_TOOLCHAIN_FILE)
  MESSAGE(STATUS "Trying to figure out .....")
  SET(QMC_BUILD_STATIC 0)
  SET(FOUND_CXXENV 0)
  SET(ENABLE_OPENMP 0)
  SET(HAVE_MPI 0)
  SET(INTEL_COMPILER 0)
  SET(HAVE_MKL 0)
  SET(HAVE_MKL_VML 0)
  SET(HAVE_ACML 0)
  SET(HAVE_SSE 0)
  SET(HAVE_SSE2 0)
  SET(HAVE_SSE3 0)
  SET(HAVE_SSSE3 0)
  SET(USE_PREFETCH 0)
  SET(PREFETCH_AHEAD 12)
  SET(HAVE_C_VARARRAYS 1)

  ######################################################
  # Try to identify CPU identity
  ######################################################
  SET(CPU_IDENTITY "generic")
  #INCLUDE(${PROJECT_CMAKE}/CheckProcessorID.cmake)

  #------------------------
  # On Cray's machine
  #------------------------
  IF($ENV{CRAYOS_VERSION} MATCHES ".")
    MESSAGE(STATUS "Running on a Cray machine. OS version : $ENV{CRAYOS_VERSION}")
    #SET(CPU_IDENTITY "bulldozer")   
    SET(CMAKE_SKIP_RPATH TRUE)

    # Flags for ctest
    SET(USE_EXT_MPI_FOR_SERIAL_TESTS 1)
    FIND_PROGRAM(MPIEXEC aprun)
    SET(MPIEXEC_NUMPROC_FLAG "-n")

    IF($ENV{HOST} MATCHES "eos")
      SET(BOOST_ROOT $ENV{BOOST_DIR})
    ENDIF($ENV{HOST} MATCHES "eos")

    IF(QMC_CUDA)
      MESSAGE(STATUS "Building GPU code. Linking dynamically.")
    ELSE(QMC_CUDA)
      SET(QMC_BUILD_STATIC 1)
      MESSAGE(STATUS "Building CPU code. Linking statically.")
      SET(BUILD_SHARED_LIBS off)
      SET(CMAKE_FIND_LIBRARY_SUFFIXES .a)
      FOREACH(type SHARED_LIBRARY SHARED_MODULE EXE)
        SET(CMAKE_${type}_LINK_STATIC_C_FLAGS "-Wl,-Bstatic")
        SET(CMAKE_${type}_LINK_DYNAMIC_C_FLAGS "-static")
        SET(CMAKE_${type}_LINK_STATIC_CXX_FLAGS "-Wl,-Bstatic")
        SET(CMAKE_${type}_LINK_DYNAMIC_CXX_FLAGS "-static")
      ENDFOREACH(type)
    ENDIF(QMC_CUDA)
  ENDIF($ENV{CRAYOS_VERSION} MATCHES ".")

  #------------------------------------
  # Check if using IBM compilers
  #------------------------------------
  IF($ENV{CXX} MATCHES "xlC")
    INCLUDE(${PROJECT_CMAKE}/IBMCompilers.cmake)
    SET(FOUND_CXXENV 1)
  ENDIF($ENV{CXX} MATCHES "xlC")

  #------------------------------------
  # Check if using Intel compilers
  #------------------------------------
  IF($ENV{CXX} MATCHES "icpc")
    INCLUDE(${PROJECT_CMAKE}/IntelCompilers.cmake)
    SET(FOUND_CXXENV 1)
  ENDIF($ENV{CXX} MATCHES "icpc")

  #------------------------------------
  # other compilers, e.g., mpicxx 
  # most likely *unix with gnu or intel compilers
  # using "-restrict" option to find out if intel compilers are backend.
  #------------------------------------
  IF(NOT FOUND_CXXENV)
    IF(CMAKE_COMPILER_IS_GNUCXX)
      INCLUDE(${PROJECT_CMAKE}/GNUCompilers.cmake)
      SET(FOUND_CXXENV 1)
    ELSE(CMAKE_COMPILER_IS_GNUCXX)
      SET(CMAKE_TRY_INTEL_CXX_FLAGS "-restrict")
      CHECK_CXX_ACCEPTS_FLAG(${CMAKE_TRY_INTEL_CXX_FLAGS} INTEL_CXX_FLAGS)
      IF(INTEL_CXX_FLAGS)
        INCLUDE(${PROJECT_CMAKE}/IntelCompilers.cmake)
        SET(FOUND_CXXENV 1)
      ENDIF(INTEL_CXX_FLAGS)
    ENDIF(CMAKE_COMPILER_IS_GNUCXX)
  ENDIF(NOT FOUND_CXXENV)

  #-------------------------------------------------------------------
  #  check MPI installation
  #-------------------------------------------------------------------
  IF(QMC_MPI)
    ## mpi compilers
    if($ENV{CXX} MATCHES "mp")
      SET(HAVE_MPI 1)
      SET(HAVE_OOMPI 1)
      SET(MPI_FOUND TRUE)
    elseif($ENV{CRAYOS_VERSION} MATCHES ".")
      SET(HAVE_MPI 1)
      SET(HAVE_OOMPI 1)
      SET(MPI_FOUND TRUE)
    else()
      include(FindMPI)
      IF(MPI_FOUND)
        MESSAGE(STATUS "Found mpi.h and libraries. Check for working mpi compiler ")
        FILE(WRITE ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/testmpi.cxx 
          "#include <mpi.h>"
          "int main(int argc, char** argv){MPI_Init(&argc,&argv); MPI_Finalize();return 0;}\n")
        #TRY_COMPILE(MPI_WORKS ${CMAKE_BINARY_DIR} 
        #${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/testmpi.cxx
        #OUTPUT_VARIABLE OUTPUT)
        set(MPI_WORKS 1)
        IF(MPI_WORKS)
          MESSAGE(STATUS "MPI is enabled")
          SET(HAVE_MPI 1)
          SET(HAVE_OOMPI 1)
          #LINK_LIBRARIES(${MPI_LIBRARY})
        ELSE(MPI_WORKS)
          MESSAGE(STATUS "MPI is disabled")
          SET(HAVE_MPI 0)
          SET(HAVE_OOMPI 0)
        ENDIF(MPI_WORKS)
      ENDIF(MPI_FOUND)
    endif($ENV{CXX} MATCHES "mp")
  ENDIF(QMC_MPI)

  #-------------------------------------------------------------------
  # check lapack/blas
  #-------------------------------------------------------------------
  #INCLUDE(${PROJECT_CMAKE}/FindLapack.cmake)
  find_package(LAPACK)
  if(LAPACK_FOUND)
    MESSAGE(STATUS "LAPACK libraries: ${LAPACK_LIBRARIES}")
    MESSAGE(STATUS "LAPACK linker flags: ${LAPACK_LINKER_FLAGS}")
    link_libraries(${LAPACK_LIBRARIES} ${LAPACK_LINKER_FLAGS})
  endif()


ENDIF(CMAKE_TOOLCHAIN_FILE)


# 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()
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 )
 
IF(BGQ)

set(CMAKE_FIND_ROOT_PATH_MODE_PROGRAM NEVER)
set(CMAKE_FIND_ROOT_PATH_MODE_LIBRARY ONLY)
set(CMAKE_FIND_ROOT_PATH_MODE_INCLUDE ONLY)
set(CMAKE_SHARED_LINKER_FLAGS "")

#########FFTW WORK AROUND; A. Benali
SET(Libfftw fftw3)
IF(QMC_BUILD_STATIC)
  SET(Libfftw libfftw3.a)
ENDIF(QMC_BUILD_STATIC)

IF(FFTW_INCLUDE_DIRS)
  FIND_PATH(FFTW_INCLUDE_DIR fftw3.h  ${FFTW_INCLUDE_DIRS})
  FIND_LIBRARY(FFTW_LIBRARIES ${Libfftw} ${FFTW_LIBRARY_DIRS})
ELSE(FFTW_INCLUDE_DIRS)
  FIND_PATH(FFTW_INCLUDE_DIR fftw3.h ${FFTW_HOME}/include
$ENV{FFTW_HOME}/include)
  FIND_LIBRARY(FFTW_LIBRARIES ${Libfftw} ${FFTW_HOME}/lib $ENV{FFTW_HOME}/lib) 
ENDIF(FFTW_INCLUDE_DIRS)
SET(FFTW_FOUND FALSE)
IF(FFTW_INCLUDE_DIR AND FFTW_LIBRARIES)
  MESSAGE(STATUS "FFTW_INCLUDE_DIR=${FFTW_INCLUDE_DIR}")
  MESSAGE(STATUS "FFTW_LIBRARIES=${FFTW_LIBRARIES}")
  SET(FFTW_FOUND TRUE)
ENDIF()

MARK_AS_ADVANCED(
   FFTW_INCLUDE_DIR
   FFTW_LIBRARIES
   FFTW_FOUND
)

IF(FFTW_FOUND)
  SET(HAVE_LIBFFTW 1)
  INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
  SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FFTW_LIBRARIES})
ELSE(FFTW_FOUND)
    MESSAGE(STATUS "${FFTW_LIBRARIES} ${FFTW_INCLUDE_DIR}")
    MESSAGE(FATAL_ERROR "Could not found FFTW ")
ENDIF(FFTW_FOUND)
###END DEFINITIONS FOR FFTW

####DEFINITION FOR LIBXML2
SET(Libxml2 xml2)
if(QMC_BUILD_STATIC)
  set(Libxml2 libxml2.a)
endif(QMC_BUILD_STATIC)

IF(Libxml2_INCLUDE_DIRS)

  FIND_PATH(LIBXML2_INCLUDE_DIR libxml/xpath.h ${Libxml2_INCLUDE_DIRS})
  FIND_LIBRARY(LIBXML2_LIBRARIES ${Libxml2} PATHS ${Libxml2_LIBRARY_DIRS})

ELSE(Libxml2_INCLUDE_DIRS)

  FIND_LIBRARY(LIBXML2_LIBRARIES ${Libxml2} PATHS $ENV{LIBXML2_HOME}/lib)

  FIND_PATH(LIBXML_INCLUDE_DIR libxml2/libxml/xpath.h PATHS
${LIBXML2_HOME}/include $ENV{LIBXML2_HOME}/include)
  if(LIBXML_INCLUDE_DIR)
    set(LIBXML2_INCLUDE_DIR ${LIBXML_INCLUDE_DIR}/libxml2)
  else(LIBXML_INCLUDE_DIR)
    FIND_PATH(LIBXML2_INCLUDE_DIR libxml/xpath.h $ENV{LIBXML2_HOME}/include)
  endif(LIBXML_INCLUDE_DIR)

ENDIF(Libxml2_INCLUDE_DIRS)

SET(LIBXML2_FOUND FALSE)
IF(LIBXML2_INCLUDE_DIR AND LIBXML2_LIBRARIES)
  message( STATUS "LIBXML2_INCLUDE_DIR=${LIBXML2_INCLUDE_DIR}" )
  message( STATUS "LIBXML2_LIBRARIES=${LIBXML2_LIBRARIES}" )
  SET(LIBXML2_FOUND TRUE)
ENDIF()


MARK_AS_ADVANCED(
  LIBXML2_INCLUDE_DIR 
  LIBXML2_LIBRARIES 
  LIBXML2_FOUND
  )


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 "Missing Libxml2")
ENDIF(LIBXML2_FOUND)
###END DEFINITIONS FOR LIBXML2

###DEFINITION FOR ZLIB 
set(Libz z)
IF(QMC_BUILD_STATIC)
  set(Libz libz.a)
ENDIF(QMC_BUILD_STATIC)

#FIND_PATH(ZLIB_INCLUDE_DIR zlib.h ${ZLIB_HOME}/include $ENV{ZLIB_HOME}/include)
FIND_LIBRARY(ZLIB_LOC ${Libz} ${ZLIB_HOME}/lib64 ${ZLIB_HOME}/lib $ENV{ZLIB_HOME}/lib)

IF(ZLIB_LOC)
  set(ZLIB_LIBRARY ${ZLIB_LOC})
  set(ZLIB_FOUND TRUE)
ENDIF(ZLIB_LOC)

SET(ZLIB_FOUND FALSE)
IF(ZLIB_LIBRARY)
  message( STATUS "ZLIB_LIBRARIES=${ZLIB_LIBRARY}" )
  SET(ZLIB_FOUND TRUE)
ENDIF()

ELSE(BGQ)

find_package(ZLIB)
find_package(LibXml2)

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 "Missing Libxml2")
ENDIF(LIBXML2_FOUND)

ENDIF(BGQ)


set(HDF5_USE_STATIC_LIBRARIES off)
if(QMC_BUILD_STATIC)
  set(HDF5_USE_STATIC_LIBRARIES on)
endif()

find_package(HDF5)
IF(HDF5_FOUND)
  SET(HAVE_LIBHDF5 1)
  INCLUDE_DIRECTORIES(${HDF5_INCLUDE_DIR})
  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)
ELSE(HDF5_FOUND)
  if(NOT QMC_PHI)
    MESSAGE(FATAL_ERROR "Require hdf5 1.6.4 or higher. Set HDF5_HOME")
  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_HOME")
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")
    MESSAGE(STATUS "Setting CUDA FLAGS=${CUDA_NVCC_FLAGS}")
  else(CUDA_NVCC_FLAGS MATCHES "arch")
    if(CUDA_VERSION VERSION_GREATER 6.5 OR CUDA_VERSION VERSION_EQUAL 6.5)
      SET(CUDA_NVCC_FLAGS
          "-arch=sm_35;-Drestrict=__restrict__;-DNO_CUDA_MAIN;-O3;-use_fast_math")
    else(CUDA_VERSION VERSION_GREATER 6.5 OR CUDA_VERSION VERSION_EQUAL 6.5)
      SET(CUDA_NVCC_FLAGS
          "-arch=sm_20;-Drestrict=__restrict__;-DNO_CUDA_MAIN;-O3;-use_fast_math")#
      MESSAGE(WARNING "Using outdated CUDA FLAGS=${CUDA_NVCC_FLAGS}")
    endif(CUDA_VERSION VERSION_GREATER 6.5 OR CUDA_VERSION VERSION_EQUAL 6.5)
  endif(CUDA_NVCC_FLAGS MATCHES "arch")
  set(HAVE_CUDA 1)
  MESSAGE("CUDA_PRECISION=${CUDA_PRECISION}")
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)

###############################################################
# 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 optional macros
######################################################

IF(BGQ)
ELSE(BGQ)
find_package(FFTW)
IF(FFTW_FOUND)
  SET(HAVE_LIBFFTW 1)
  INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
  SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FFTW_LIBRARIES})
ENDIF(FFTW_FOUND)
ENDIF(BGQ)
#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()

#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)


###################################################
# Add user extra flags
###################################################
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()

###################################################
# 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 -DDISABLE_TIMER=1 -DUSE_REAL_STRUCT_FACTOR -DINLINE_ALL=inline)

IF(CMAKE_COMPILER_IS_GNUCXX) 
  ADD_DEFINITIONS(-DADD_)
ENDIF(CMAKE_COMPILER_IS_GNUCXX) 

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)

#ADD_CUSTOM_TARGET(print_settings ALL
#      ${CMAKE_COMMAND} -E echo "Print build settings"
#          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})