Fix the library link order in CMake configuration.

Issues are:
1) Wrong order of libaries. After in this fix, the order is qmcapp.cpp.o, qmcpack owned libraries, lapack/blas, FFT, XML2, HDF5, LIBZ, LIBM.
2) Performance issue on BGQ due to the inclusion of libmass after libm. This might also affect other platforms.
3) Duplicated occurance of libraries in the final linking line.


git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6919 e5b18d87-469d-4833-9cc0-8cdfa06e9491

CMakeLists.txt

@@ -423,7 +423,7 @@ ELSE(CMAKE_TOOLCHAIN_FILE)
   IF(LAPACK_FOUND)
     MESSAGE(STATUS "LAPACK libraries: ${LAPACK_LIBRARIES}")
     MESSAGE(STATUS "LAPACK linker flags: ${LAPACK_LINKER_FLAGS}")
-    link_libraries(${LAPACK_LIBRARIES} ${LAPACK_LINKER_FLAGS})
+    SET(LAPACK_LIBRARY ${LAPACK_LIBRARIES} ${LAPACK_LINKER_FLAGS})
   ENDIF()
 
 
@@ -462,8 +462,29 @@ INCLUDE(${CMAKE_ROOT}/Modules/FindThreads.cmake)
 # 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 )
+
+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")
+ENDIF(FFTW_FOUND)
  
+SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} ${FORTRAN_LIBRARIES})
+
 find_package(ZLIB)
 find_package(LibXml2)
 
@@ -590,37 +611,10 @@ ENDIF(QMC_CUDA)
 #  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
 ######################################################
 
-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")
-ENDIF(FFTW_FOUND)
-
 #include qmcpack/src build/src
 INCLUDE_DIRECTORIES( ${PROJECT_SOURCE_DIR}/src ${PROJECT_BINARY_DIR}/src)
 
@@ -646,7 +640,7 @@ set(build_einspline 1)
 if(build_einspline)
   SUBDIRS(src/einspline)
   INCLUDE_DIRECTORIES(${PROJECT_BINARY_DIR}/include)
-  SET(QMC_UTIL_LIBS ${QMC_UTIL_LIBS} einspline)
+  SET(QMC_UTIL_LIBS einspline ${QMC_UTIL_LIBS})
 endif()
 
 #include(ExternalProject)
@@ -684,6 +678,14 @@ endif()
 #  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

config/BGQToolChain.cmake

@@ -39,18 +39,18 @@ SET(CMAKE_FIND_ROOT_PATH
 SET(LAPACK_LIBRARY /soft/libraries/alcf/current/xl/LAPACK/lib/liblapack.a)
 SET(BLAS_LIBRARY /soft/libraries/essl/current/essl/5.1/lib64/libesslsmpbg.a)
 SET(FORTRAN_LIBRARIES
+$ENV{IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64/libmass.a 
+$ENV{IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64/libmassv.a 
 $ENV{IBM_FCMP_DIR}/bglib64/libxlf90_r.a
 $ENV{IBM_FCMP_DIR}/bglib64/libxlopt.a
 )
 
-LINK_LIBRARIES(
-$ENV{IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64/libmass.a 
-$ENV{IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64/libmassv.a 
+#LINK_LIBRARIES(
 #/soft/perftools/hpctw/libmpihpm_smp.a
 #/bgsys/drivers/ppcfloor/bgpm/lib/libbgpm.a
 #/bgsys/drivers/ppcfloor/spi/lib/libSPI_upci_cnk.a
 #-pg
-)
+#)
 
 FOREACH(type SHARED_LIBRARY SHARED_MODULE EXE)
   SET(CMAKE_${type}_LINK_STATIC_C_FLAGS "-Wl,-Bstatic")

src/QMCApp/CMakeLists.txt

@@ -37,8 +37,6 @@ ENDIF()
     TARGET_LINK_LIBRARIES(${p} ${l})
   ENDFOREACH(l ${QMC_UTIL_LIBS})
 
-  TARGET_LINK_LIBRARIES(${p} ${LAPACK_LIBRARY} ${BLAS_LIBRARY} ${FORTRAN_LIBRARIES})
-
   if(ENABLE_TAU_PROFILE)
     TARGET_LINK_LIBRARIES(${p} tau)
   endif(ENABLE_TAU_PROFILE)

src/QMCTools/CMakeLists.txt

@@ -39,8 +39,6 @@ FOREACH(p ${QTOOLS})
     TARGET_LINK_LIBRARIES(${p} ${l})
   ENDFOREACH(l ${QMC_UTIL_LIBS})
 
-  TARGET_LINK_LIBRARIES(${p} ${LAPACK_LIBRARY} ${BLAS_LIBRARY} ${FORTRAN_LIBRARIES})
-
   if(ENABLE_TAU_PROFILE)
     TARGET_LINK_LIBRARIES(${p} tau)
   endif(ENABLE_TAU_PROFILE)

src/SandBox/CMakeLists.txt

@@ -29,8 +29,6 @@ FOREACH(p ${MYTEST})
     TARGET_LINK_LIBRARIES(${p} ${l})
   ENDFOREACH(l ${QMC_UTIL_LIBS})
 
-  TARGET_LINK_LIBRARIES(${p} ${LAPACK_LIBRARY} ${BLAS_LIBRARY} ${FORTRAN_LIBRARIES})
-
   IF(MPI_LIBRARY)
     TARGET_LINK_LIBRARIES(${p} ${MPI_LIBRARY})
   ENDIF(MPI_LIBRARY)

src/benchmark/CMakeLists.txt

@@ -11,7 +11,6 @@ SET(BENCH numerics)
 FOREACH(p ${BENCH})
   ADD_EXECUTABLE( ${p}  ${p}.cpp)
   TARGET_LINK_LIBRARIES(${p} qmcutil)
-  TARGET_LINK_LIBRARIES(${p} ${LAPACK_LIBRARY} ${BLAS_LIBRARY} ${FORTRAN_LIBRARIES})
   IF(MPI_LIBRARY)
     TARGET_LINK_LIBRARIES(${p} ${MPI_LIBRARY})
   ENDIF(MPI_LIBRARY)