qmcpack/CMakeLists.txt

PROJECT(qmcPlusPlus)

######################################################################
# Version 
######################################################################
SET(QMCPLUSPLUS_VERSION_MAJOR 0)
SET(QMCPLUSPLUS_VERSION_MINOR 2)
SET(QMCPLUSPLUS_VERSION_PATCH 0)
SET(QMCPLUSPLUS_RELEASE 0)
SET(QMCPLUSPLUS_VERSION "${QMCPLUSPLUS_VERSION_MAJOR}.${QMCPLUSPLUS_VERSION_MINOR}.$(QMCPLUSPLUS_VERSION_PATH}")

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

######################################################################
# Optinal features
######################################################################

######################
#choose parallel mode
######################
OPTION(QMC_MPI "Enable MPI library" OFF)

######################
#1 to build static library
######################
SET(QMC_BUILD_STATIC 0)

######################
#set 32/64 bit OS 
######################
SET(BITS 32)

#list of options to determine libraries. First, try to use libraries available
SET(INTEL_COMPILER 0)
SET(ENABLE_OPENMP 0)
SET(HAVE_MPI 0)
SET(HAVE_OOMPI 0)
SET(HAVE_LIBXML2 0)
SET(HAVE_LIBXMLPP 0)
SET(HAVE_LIBHDF5 0)
SET(HAVE_LIBSPRNG 0)
SET(HAVE_LIBBLITZ 0)
SET(HAVE_LIBGSL 0)

######################################################################
#important settings for QMC simulations to instantiate template classes
#OHMMS_* is to reuse Ohmms class libraries
#OHMMS_DIM =  dimension of the problem
#OHMMS_INDEXTYPE = type of index
#OHMMS_PRECISION  = base precision, float, double etc
#OHMMS_ORTHO  = 0 for general unit cell, 1 for orthogonal cells
#QMC_FASTWALKER  = true, when operation is faster for each walker
#QMC_APPS  =  an application to compile
######################################################################
SET(OHMMS_DIM 3)
SET(OHMMS_INDEXTYPE int)
SET(OHMMS_PRECISION double)
SET(OHMMS_ORTHO 0)
SET(QMC_FASTWALKER 1)
SET(QMCAPPS  MolecuApps)

######################################################################
#experimental settings for optimization
######################################################################
SET(INTEL_COMPILER 0)

SET (PROJECT_CMAKE ${qmcPlusPlus_SOURCE_DIR}/CMake)
######################################################
#COMPILER choose one of the cmake files to customize the compiler options
#If nothing is chosen, default settings by cmake will  be used.
######################################################
INCLUDE(${PROJECT_CMAKE}/GNUCompilers.cmake)
#INCLUDE(${PROJECT_CMAKE}/Intel8.cmake)
#INCLUDE(${PROJECT_CMAKE}/IBMCompilers.cmake)
#INCLUDE(${PROJECT_CMAKE}/KCCCompilers.cmake)
#INCLUDE(${PROJECT_CMAKE}/Intel7.cmake)
 
INCLUDE(${CMAKE_ROOT}/Modules/FindThreads.cmake)

#check external libraries: required
INCLUDE(${PROJECT_CMAKE}/FindLibxml2.cmake)
INCLUDE(${PROJECT_CMAKE}/FindLapack.cmake)
INCLUDE(${PROJECT_CMAKE}/FindHDF5.cmake)
INCLUDE(${PROJECT_CMAKE}/FindBoost.cmake)

IF(QMC_MPI)
  INCLUDE(${PROJECT_SOURCE_DIR}/CMake/addMPI.cmake)
ENDIF(QMC_MPI)

IF(FOUND_LIBXML2)
  INCLUDE_DIRECTORIES(${LIBXML2_INCLUDE_DIR})
  LINK_LIBRARIES(${LIBXML2_LIBRARY})
  SET(HAVE_LIBXML2 1)
ENDIF(FOUND_LIBXML2)

IF(FOUND_BOOST)
  SET(HAVE_LIBBOOST 1)
  INCLUDE_DIRECTORIES(${BOOST_INCLUDE_DIR})
ENDIF(FOUND_BOOST)

IF(FOUND_HDF5)
  SET(HAVE_LIBHDF5 1)
  INCLUDE_DIRECTORIES(${HDF5_INCLUDE_DIR})
  LINK_LIBRARIES(${HDF5_LIBRARY})
  #zlib
  INCLUDE(${CMAKE_ROOT}/Modules/FindZLIB.cmake)
  IF(ZLIB_FOUND)
    LINK_LIBRARIES(${ZLIB_LIBRARY})
  ENDIF(ZLIB_FOUND)
  #szlib
  INCLUDE(${PROJECT_CMAKE}/FindSZLIB.cmake)
  IF(SZLIB_FOUND)
    LINK_LIBRARIES(${SZLIB_LIBRARY})
  ENDIF(SZLIB_FOUND)
ENDIF(FOUND_HDF5)

INCLUDE_DIRECTORIES(
  ${qmcPlusPlus_SOURCE_DIR}/src
  ${qmcPlusPlus_BINARY_DIR}/src
)
ADD_DEFINITIONS(-DHAVE_CONFIG_H)

SUBDIRS(src)