changes to debug

[unres4.git] / source / unres / CMakeLists.txt

diff --git a/source/unres/CMakeLists.txt b/source/unres/CMakeLists.txt
index cc0b694..e5aad58 100644 (file)
--- a/source/unres/CMakeLists.txt
+++ b/source/unres/CMakeLists.txt
@@ -44,6 +44,13 @@ set(UNRES_MD_SRC0
         REMD.f90
 )
 
+if(UNRES_NEWGRAD)
+ set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} 
+       fdisy.f90 fdiag.f90 machpd.f90 
+       quindibisectok.F90
+       quindet2ok.F90)
+endif()
+
 set(UNRES_MD_SRC1
        data/minim_data.f90 
 )
@@ -64,7 +71,8 @@ set(UNRES_MD_SRC3
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
   set (CMAKE_Fortran_FLAGS_RELEASE " ")
   set (CMAKE_Fortran_FLAGS_DEBUG   "-O0 -g ")
-  set(FFLAGS0 "-fpp -c -O3 -ip " ) 
+#  set(FFLAGS0 "-fpp -c -O3 -ip " ) 
+  set(FFLAGS0 "-CB -g -ip -fpp  -heap-arrays" ) 
   set(FFLAGS1 "-fpp -c -O " ) 
   set(FFLAGS2 "-fpp -c -g -CA -CB ")
   set(FFLAGS3 "-fpp -c -g -O0 " )
@@ -110,6 +118,11 @@ elseif(UNRES_MD_FF STREQUAL "4P")
   set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
 endif(UNRES_MD_FF STREQUAL "GAB")
 
+if(UNRES_NEWGRAD)
+ set(CPPFLAGS "${CPPFLAGS} -DCARGRAD -DFIVEDIAG ")
+endif()
+
+
 #=========================================
 # System specific flags
 #=========================================
@@ -156,10 +169,18 @@ endif (architektura STREQUAL "64")
 #========================================
 if(UNRES_WITH_MPI) 
   # binary with mpi
-  set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe")
+  if(UNRES_NEWGRAD)
+   set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_NEWGRAD.exe")
+  else()
+   set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe")
+  endif()
 else(UNRES_WITH_MPI)
   # binary without mpi
-  set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
+  if(UNRES_NEWGRAD)
+   set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}_NEWGRAD.exe")
+  else()
+   set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
+  endif()
 endif(UNRES_WITH_MPI)  
 
 #=========================================