Adam's changes

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

diff --git a/source/wham/src-HCD-5D/CMakeLists.txt b/source/wham/src-HCD-5D/CMakeLists.txt
index aa99003..279b474 100644 (file)
--- a/source/wham/src-HCD-5D/CMakeLists.txt
+++ b/source/wham/src-HCD-5D/CMakeLists.txt
@@ -68,6 +68,7 @@ set(UNRES_WHAM_M_SRC0
        define_pairs.f
        mysort.f
         ssMD.F
+        boxshift.f
 )
 
 set(UNRES_WHAM_M_PP_SRC
@@ -154,7 +155,7 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
 elseif(UNRES_MD_FF STREQUAL "4P")
   set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB -DFOURBODY" )
 elseif(UNRES_MD_FF STREQUAL "NEWCORR")
-  set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG" )
+  set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD" )
 endif(UNRES_MD_FF STREQUAL "GAB")
 
 #=========================================
@@ -165,6 +166,10 @@ set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DWHAM")
 if(UNRES_DFA)
  set(CPPFLAGS "${CPPFLAGS} -DDFA")
 endif(UNRES_DFA)
+
+if(UNRES_5D)
+ set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG" )
+endif()
  
 
 #=========================================
@@ -215,11 +220,16 @@ set_property(SOURCE ${UNRES_WHAM_M_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLA
 #========================================
 #  Setting binary name
 #========================================
+set(DFA "")
+set(HCD-5D "")
 if(UNRES_DFA)
- set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D_DFA.exe")
-else(UNRES_DFA)
- set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D.exe")
-endif(UNRES_DFA)
+ set(DFA "_DFA")
+endif()
+if(UNRES_5D)
+ set(HCD-5D "_HCD-5D")
+endif()
+
+set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}${HCD-5D}${DFA}.exe")
 #=========================================
 # cinfo.f workaround for CMake
 #=========================================