wham & cluster maxres=5000

[unres.git] / source / cluster / wham / src-HCD-5D / CMakeLists.txt

diff --git a/source/cluster/wham/src-HCD-5D/CMakeLists.txt b/source/cluster/wham/src-HCD-5D/CMakeLists.txt
index 29b4616..d443628 100644 (file)
--- a/source/cluster/wham/src-HCD-5D/CMakeLists.txt
+++ b/source/cluster/wham/src-HCD-5D/CMakeLists.txt
@@ -112,16 +112,16 @@ set_property(SOURCE ${UNRES_CLUSTER_WHAM_M_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS
 #=========================================
 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 -DFOURBODY" )
  
 #=========================================
 #  Settings for E0LL2Y force field
 #=========================================
 elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
    # set preprocesor flags   
-   set(CPPFLAGS "PROCOR  -DSPLITELE -DSCCORPDB" )
+   set(CPPFLAGS "PROCOR  -DSPLITELE -DSCCORPDB -DFOURBODY" )
 elseif(UNRES_MD_FF STREQUAL "4P")
-  set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
+  set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB -DFOURBODY" )
 elseif(UNRES_MD_FF STREQUAL "NEWCORR")
   set(CPPFLAGS "PROCOR  -DSPLITELE -DCORRCD -DNEWCORR" )
 endif(UNRES_MD_FF STREQUAL "GAB")
@@ -135,6 +135,10 @@ if(UNRES_DFA)
  set(CPPFLAGS "${CPPFLAGS} -DDFA")
 endif(UNRES_DFA)
 
+if(UNRES_5D)
+ set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG" )
+endif()
+
 #=========================================
 # Compiler specific flags
 #=========================================
@@ -179,11 +183,16 @@ set_property(SOURCE proc_proc.c PROPERTY COMPILE_DEFINITIONS "LINUX -DPGI" )
 #========================================
 #  Setting binary name
 #========================================
+
+set(DFA "")
+set(HCD-5D "")
 if(UNRES_DFA)
- set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_DFA.exe")
-else(UNRES_DFA)
- set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe")
-endif(UNRES_DFA)
+ set(DFA "_DFA")
+endif()
+if(UNRES_5D)
+ set(HCD-5D "_HCD-5D")
+endif()
+set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}${HCD-5D}${DFA}.exe")
 
 #=========================================
 # cinfo.f workaround for CMake