X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2FCMakeLists.txt;h=36dc72ac6c6e9dbeda2a5555eab5fbfed95e4164;hb=44b64ca55413e26a0abac46b0288c6e408dec932;hp=e2c129f5c9f4d4240bc910b2024f49254f940495;hpb=c4d3af184529909554ad0472e52ca8987de91ca9;p=unres.git

diff --git a/source/cluster/wham/src-M/CMakeLists.txt b/source/cluster/wham/src-M/CMakeLists.txt
index e2c129f..36dc72a 100644
--- a/source/cluster/wham/src-M/CMakeLists.txt
+++ b/source/cluster/wham/src-M/CMakeLists.txt
@@ -2,7 +2,7 @@
 # CMake project file for cluster analysis from WHAM for oligomeric proteins  
 # 
 
-enable_language (Fortran)
+enable_language (Fortran C)
 
 #================================
 # Set source file lists
@@ -29,6 +29,7 @@ set(UNRES_CLUSTER_WHAM_M_SRC0
 	parmread.F
 	permut.f
 	pinorm.f
+	printmat.f
 	probabl.F
 	read_coords.F
 	readpdb.f
@@ -54,7 +55,6 @@ set(UNRES_CLUSTER_WHAM_M_PP_SRC
 	timing.F
 	track.F
 	work_partition.F
-	proc_proc.c
 ) 
 
 
@@ -62,9 +62,9 @@ set(UNRES_CLUSTER_WHAM_M_PP_SRC
 # Set comipiler flags for different sourcefiles  
 #================================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(FFLAGS0 "-ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
+  set(FFLAGS0 "-ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres"  ) 
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 "-I. -I${CMAKE_CURRENT_SOURCE_DIR}/inlude_unres " ) 
+  set(FFLAGS0 "-std=legacy -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) 
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 # Add MPI compiler flags
@@ -74,8 +74,29 @@ endif(UNRES_WITH_MPI)
 
 set_property(SOURCE ${UNRES_CLUSTER_WHAM_M_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
 
-set(CPPFLAGS "PROCOR -DSPLITELE -DPROCOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+#=========================================
+#  Settings for GAB force field
+#=========================================
+if(UNRES_MD_FF STREQUAL "GAB" )
+   # set preprocesor flags   
+   set(CPPFLAGS "PROCOR  -DSPLITELE -DCRYST_BOND  -DCRYST_THETA -DCRYST_SC  -DSCCORPDB" )
+ 
+#=========================================
+#  Settings for E0LL2Y force field
+#=========================================
+elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
+   # set preprocesor flags   
+   set(CPPFLAGS "PROCOR  -DSPLITELE -DSCCORPDB" )
+endif(UNRES_MD_FF STREQUAL "GAB")
 
+#=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN" 
+
+#=========================================
+# Compiler specific flags
+#=========================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
   # Add ifort preprocessor flags
   set(CPPFLAGS "${CPPFLAGS} -DPGI") 
@@ -108,6 +129,7 @@ endif(UNRES_WITH_MPI)
 #=========================================
 set_property(SOURCE ${UNRES_CLUSTER_WHAM_M_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
 
+set_property(SOURCE proc_proc.c PROPERTY COMPILE_DEFINITIONS "LINUX -DPGI" )
 
 #========================================
 #  Setting binary name
@@ -133,7 +155,7 @@ set(UNRES_CLUSTER_WHAM_M_BIN "unres_clustMD.exe")
 #=========================================
 # Set full unres CLUSTER sources
 #=========================================
-set(UNRES_CLUSTER_WHAM_M_SRCS ${UNRES_CLUSTER_WHAM_M_SRC0} ${CMAKE_CURRENT_SOURCE_DIR}/proc_proc.c)
+set(UNRES_CLUSTER_WHAM_M_SRCS ${UNRES_CLUSTER_WHAM_M_SRC0} proc_proc.c)
 
 #=========================================
 # Build the binary