X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2FCMakeLists.txt;h=2a48eda085b7740bb77e8a53feab82a40026d57d;hb=b75e68533dc131221f1af10f6b2b81d65c1acade;hp=cc0b694a4fbe240c8767b9d9d1b81d5d5e91efe3;hpb=df0d15d1ab81e01e177d3d39354e72364b294e1c;p=unres4.git

diff --git a/source/unres/CMakeLists.txt b/source/unres/CMakeLists.txt
index cc0b694..2a48eda 100644
--- 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 
 )
@@ -110,6 +117,11 @@ 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 "${CPPFLAGS} -DCARGRAD -DFIVEDIAG ")
+endif()
+
+
 #=========================================
 # System specific flags
 #=========================================
@@ -156,10 +168,18 @@ endif (architektura STREQUAL "64")
 #========================================
 if(UNRES_WITH_MPI) 
   # binary with mpi
-  set(UNRES_BIN "unresMD_${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)  
 
 #=========================================