X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FCMakeLists.txt;h=556250eb41137fa25b990f3c6d996e32b8bb39d2;hb=52166346a9daa454a65b719c708cbcd6fe96da34;hp=aeed5bc12910056823beee6415e32487b081e601;hpb=8dba24517f6c04f199cb878e3b63f99e53c1cb47;p=unres.git

diff --git a/source/wham/src/CMakeLists.txt b/source/wham/src/CMakeLists.txt
index aeed5bc..556250e 100644
--- a/source/wham/src/CMakeLists.txt
+++ b/source/wham/src/CMakeLists.txt
@@ -37,6 +37,7 @@ set(UNRES_WHAM_SRC0
 	rescode.f
 	setup_var.f
 	slices.F
+	ssMD.F
 	store_parm.F
 	timing.F
 	wham_calc1.F
@@ -79,6 +80,7 @@ set(UNRES_WHAM_PP_SRC
 	readrtns_compar.F
 	readrtns.F
 	slices.F
+	ssMD.F
 	store_parm.F
 	timing.F
 	wham_calc1.F
@@ -92,7 +94,7 @@ set(UNRES_WHAM_PP_SRC
 # Set comipiler flags for different sourcefiles  
 #================================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(FFLAGS0 "-mcmodel=medium -g -CB -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) 
+  set(FFLAGS0 "-mcmodel=large -g -CB -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) 
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
   set(FFLAGS0 "-std=legacy -g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) 
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
@@ -113,7 +115,7 @@ set_property(SOURCE ${UNRES_WHAM_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
 
 if(UNRES_MD_FF STREQUAL "GAB" )
   # set preprocesor flags   
-  set(CPPFLAGS "PROCOR  -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC  -DSCCORPDB" )
+  set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC  -DSCCORPDB" )
 
 #=========================================
 #  Settings for E0LL2Y force field
@@ -125,6 +127,12 @@ endif(UNRES_MD_FF STREQUAL "GAB")
 
 
 #=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DWHAM ") 
+
+
+#=========================================
 # System specific flags
 #=========================================
 if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
@@ -144,6 +152,9 @@ elseif (Fortran_COMPILER_NAME STREQUAL "f95")
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
   # Add old gfortran flags
   set(CPPFLAGS "${CPPFLAGS} -DG77") 
+else (Fortran_COMPILER_NAME STREQUAL "ifort")
+  # Default preprocessor flags 
+  set(CPPFLAGS "${CPPFLAGS} -DPGI")
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 #=========================================