qmcpack/CMakeLists.txt

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PROJECT(qmcpack)
CMAKE_MINIMUM_REQUIRED(VERSION 2.8)
#####################################################
SET(CMAKE_FALLBACK FALSE)
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")
if(COMMAND cmake_policy)
cmake_policy(SET CMP0003 NEW)
endif(COMMAND cmake_policy)
######################################################################
# Version
######################################################################
SET(QMCPLUSPLUS_VERSION_MAJOR 0)
SET(QMCPLUSPLUS_VERSION_MINOR 6)
SET(QMCPLUSPLUS_VERSION_PATCH 1)
SET(QMCPLUSPLUS_VERSION "${QMCPLUSPLUS_VERSION_MAJOR}.${QMCPLUSPLUS_VERSION_MINOR}.$(QMCPLUSPLUS_VERSION_PATH}")
######################################################################
# Build level
######################################################################
SET(QMC_BUILD_LEVEL 3 CACHE INTEGER
"QMC Build Level: 1=bare, 2=developer, 3=experimental")
######################################################################
#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 ${QMC_LIBRARY_PATHS} /sw/lib)
#endif(APPLE)
######################################################################
# Set the compiler-time parameters
# OHMMS_DIM = dimension of the problem
# OHMMS_INDEXTYPE = type of index
# OHMMS_PRECISION = base precision, float, double etc
# QMC_COMPLEX = true if using complex wavefunctions
# QMC_MPI = enable MPI
# QMC_OMP = enable OMP
# QMC_BITS = 32/64 bit
######################################################################
SET(OHMMS_DIM 3 CACHE INTEGER "Select physical dimension")
SET(OHMMS_INDEXTYPE int)
SET(OHMMS_PRECISION double)
SET(APP_PRECISION double)
SET(CUDA_PRECISION float)
######################################################################
# enable MPI and OPNEMP if possible
######################################################################
SET(QMC_MPI 1 CACHE BOOL "Enable/disable MPI")
SET(QMC_OMP 1 CACHE BOOL "Enable/disable OpenMP")
SET(QMC_BITS 64 CACHE INTEGER "Select OS bit")
SET(QMC_COMPLEX 0 CACHE INTEGER "Build for complex binary")
SET(PRINT_DEBUG 0 CACHE BOOL "Enable/disable debug printing")
SET(QMC_CUDA 0 CACHE BOOL "Build with GPU support through CUDA")
######################################################################
# set debug printout
# DEBUG_PSIBUFFER_ON keep track buffer's locator
######################################################################
SET(DEBUG_PSIBUFFER_ON 0 CACHE BOOL "Build with GPU support through CUDA")
######################################################################
# check environment variables
# todo: disallow environment
######################################################################
IF($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)
######################################################################
# 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 ${qmcpack_SOURCE_DIR}/CMake)
######################################################
# Get the current SVN version
######################################################
SET(QMCPLUSPLUS_SVN_LAST_CHANGED "2008-05-12")
FIND_PACKAGE(Subversion)
IF(Subversion_FOUND)
Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project)
MESSAGE(STATUS "Current revision : ${Project_WC_REVISION} modified on ${Project_WC_LAST_CHANGED_DATE}")
SET(QMCPLUSPLUS_BRANCH ${Project_WC_REVISION})
SET(QMCPLUSPLUS_LAST_CHANGED_DATE ${Project_WC_LAST_CHANGED_DATE})
ENDIF(Subversion_FOUND)
######################################################
#COMPILER choose one of the cmake files to customize the compiler options
#If nothing is chosen, default settings by cmake will be used.
#If the automatic detection does not work, comment out everything
#upto COMPILER MANUAL SELECTION and use one of the customized cmake file.
######################################################
INCLUDE(${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 ${CMAKE_TOOLCHAIN_FILE} toolchain ")
ELSE(CMAKE_TOOLCHAIN_FILE)
SET(QMC_BUILD_STATIC 0)
SET(FOUND_CXXENV 0)
SET(ENABLE_OPENMP 0)
SET(HAVE_MPI 0)
SET(INTEL_COMPILER 0)
SET(HAVE_MKL 0)
SET(HAVE_MKL_VML 0)
SET(HAVE_ACML 0)
SET(HAVE_SSE 0)
SET(HAVE_SSE2 0)
SET(HAVE_SSE3 0)
SET(HAVE_SSSE3 0)
SET(USE_PREFETCH 0)
SET(PREFETCH_AHEAD 12)
SET(HAVE_C_VARARRAYS 1)
######################################################
# Try to identify CPU identity
######################################################
SET(CPU_IDENTITY "generic")
INCLUDE(${PROJECT_CMAKE}/CheckProcessorID.cmake)
#------------------------------------
# On Jaguar use CrayXT.cmake
#------------------------------------
IF($ENV{HOST} MATCHES "jaguar")
MESSAGE(" Working on jaguar. Using CMake/CrayXT.cmake")
SET(CPU_IDENTITY "barcelona")
INCLUDE(${PROJECT_CMAKE}/CrayXT.cmake)
SET(FOUND_CXXENV 1)
SET(CMAKE_SKIP_RPATH TRUE)
ENDIF($ENV{HOST} MATCHES "jaguar")
#------------------------------------
# Check if using IBM compilers
#------------------------------------
IF($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)
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($ENV{CXX} MATCHES "mp")
SET(HAVE_MPI 1)
SET(HAVE_OOMPI 1)
SET(MPI_FOUND TRUE)
else($ENV{CXX} MATCHES "mp")
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)
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)
ENDIF(CMAKE_TOOLCHAIN_FILE)
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 )
INCLUDE(${PROJECT_CMAKE}/FindBoost.cmake)
INCLUDE(${PROJECT_CMAKE}/FindHDF5.cmake)
INCLUDE(${PROJECT_CMAKE}/FindZLIB.cmake)
INCLUDE(${PROJECT_CMAKE}/FindSZLIB.cmake)
INCLUDE(${PROJECT_CMAKE}/FindLibxml2.cmake)
IF(LIBXML2_FOUND)
INCLUDE_DIRECTORIES(${LIBXML2_INCLUDE_DIR})
SET(HAVE_LIBXML2 1)
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${LIBXML2_LIBRARIES})
ENDIF(LIBXML2_FOUND)
IF(HDF5_FOUND)
SET(HAVE_LIBHDF5 1)
INCLUDE_DIRECTORIES(${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(ZLIB_FOUND)
# SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${ZLIB_LIBRARIES})
#ENDIF(ZLIB_FOUND)
IF(SZLIB_FOUND)
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${SZLIB_LIBRARIES})
ENDIF(SZLIB_FOUND)
ELSE(HDF5_FOUND)
MESSAGE(FATAL_ERROR "Require hdf5 1.6.4 or higher. Set HDF5_HOME")
ENDIF(HDF5_FOUND)
IF(Boost_FOUND)
SET(HAVE_LIBBOOST 1)
INCLUDE_DIRECTORIES(${Boost_INCLUDE_DIR})
MESSAGE(STATUS "Setting Boost_INCLUDE_DIR="${Boost_INCLUDE_DIR})
ELSE()
MESSAGE(FATAL_ERROR "Require boost 1.33.x or higher. Set BOOST_HOME")
ENDIF()
#set(HAVE_CUDA 0)
IF(QMC_CUDA)
set(CUDA_PROPAGATE_HOST_FLAGS OFF)
if(CUDA_NVCC_FLAGS MATCHES "arch")
MESSAGE(STATUS "Setting CUDA FLAGS="${CUDA_NVCC_FLAGS})
else()
SET(CUDA_NVCC_FLAGS
"-arch=sm_13;-Drestrict=__restrict__;-DNO_CUDA_MAIN;-O3;-use_fast_math")#
MESSAGE(WARNING "Using outdated CUDA FLAGS="${CUDA_NVCC_FLAGS})
endif()
FIND_PACKAGE(CUDA REQUIRED)
set(HAVE_CUDA 1)
ENDIF(QMC_CUDA)
#INCLUDE(${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(${PROJECT_CMAKE}/FindFFTW.cmake)
IF(FFTW_FOUND)
SET(HAVE_LIBFFTW 1)
INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FFTW_LIBRARIES})
ENDIF(FFTW_FOUND)
#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)
###################################################
# 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 -DAPPNAMESPACE=qmcplusplus)
if(HAVE_MPI)
ADD_DEFINITIONS(-DMPICH_SKIP_MPICXX)
endif()
#ADD_DEFINITIONS(-DDISABLE_WS_CELL)
SUBDIRS(src)