X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2FCMakeLists.txt;h=d9be5ea7579a9b294eb1feee8b1ef18b8f869f1e;hb=08b96e38d3e1534b82b14c0a8c7948e490c6cebb;hp=3fa4bc823b9e1e79b908c51f485c1075b0c19cd8;hpb=91b9f78d94b96277537615722323ebe03cc0a014;p=unres4.git

diff --git a/source/unres/CMakeLists.txt b/source/unres/CMakeLists.txt
index 3fa4bc8..d9be5ea 100644
--- a/source/unres/CMakeLists.txt
+++ b/source/unres/CMakeLists.txt
@@ -22,11 +22,21 @@ set(UNRES_MD_SRC0
 	 data/MPI_data.F90
 	 data/REMD_data.F90
 	 data/comm_local.F90
+         inform.F90
+	 keys.F90
+	 math2.F90
+	 iounit.F90
+	 linmin.F90
+	 minima.F90
+	 output.F90
+	 scales.F90
+         search.F90
+         optsave_dum.F90
 	 prng_32.F90
 	 math.F90
 	 random.F90
 	 geometry.F90
-	 io_base.F90
+         io_base.F90
 	 energy.F90
 	 check_bond.F90
 	 control.F90
@@ -72,7 +82,7 @@ if (Fortran_COMPILER_NAME STREQUAL "ifort")
   set (CMAKE_Fortran_FLAGS_RELEASE " ")
   set (CMAKE_Fortran_FLAGS_DEBUG   "-O0 -g -traceback")
 #  set(FFLAGS0 "-fpp -c -CB -g -ip " ) 
-  set(FFLAGS0 "-O3 -g -ip -fpp   -mcmodel=large" ) 
+  set(FFLAGS0 "-CB -g -ip -fpp   -mcmodel=large" ) 
 #  set(FFLAGS0 "-O0 -CB -CA -g" )
   set(FFLAGS1 "-fpp -c -O " ) 
   set(FFLAGS2 "-fpp -c -g -CA -CB ")
@@ -125,7 +135,7 @@ endif(UNRES_MD_FF STREQUAL "GAB")
 
 if(UNRES_NEWGRAD)
 # set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG ")
-set(CPPFLAGS "${CPPFLAGS} -DCARGRAD -DFIVEDIAG -DSC_END")
+set(CPPFLAGS "${CPPFLAGS} -DCARGRAD -DFIVEDIAG -DSC_END -DLBFGS")
 endif()
 # set(CPPFLAGS "${CPPFLAGS} -DCARGRAD -DFIVEDIAG ")