working martini

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

diff --git a/source/unres/CMakeLists.txt b/source/unres/CMakeLists.txt
index 3fa4bc8..d9be5ea 100644 (file)
--- 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 ")