cmake date format

[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 d2df206..7da9abf 100644 (file)
--- a/source/wham/src-HCD-5D/CMakeLists.txt
+++ b/source/wham/src-HCD-5D/CMakeLists.txt
@@ -20,7 +20,6 @@ set(UNRES_WHAM_M_SRC0
        readrtns.F
        read_constr_homology.F
        arcos.f
-       cartder.f
        cartprint.f
        chainbuild.F
        geomout.F
@@ -49,7 +48,7 @@ set(UNRES_WHAM_M_SRC0
        PMFprocess.F
        oligomer.F
         readrtns_compar.F
-       readpdb.F
+       readpdb-mult.F
        fitsq.f 
        contact.f
        elecont.f
@@ -68,6 +67,7 @@ set(UNRES_WHAM_M_SRC0
        define_pairs.f
        mysort.f
         ssMD.F
+        boxshift.f
 )
 
 set(UNRES_WHAM_M_PP_SRC
@@ -90,7 +90,7 @@ set(UNRES_WHAM_M_PP_SRC
        PMFprocess.F
        read_constr_homology.F
        read_dist_constr.F
-       readpdb.F       
+       readpdb-mult.F  
        read_ref_str.F
        readrtns_compar.F
        readrtns.F
@@ -142,7 +142,7 @@ set_property(SOURCE ${UNRES_WHAM_M_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 -DFOURBODY" )
 
 
 #=========================================
@@ -150,9 +150,9 @@ if(UNRES_MD_FF STREQUAL "GAB" )
 #=========================================
 elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
   # set preprocesor flags   
-  set(CPPFLAGS "PROCOR  -DSPLITELE " )
+  set(CPPFLAGS "PROCOR  -DSPLITELE -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 -DUNRES -DISNAN -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD" )
 endif(UNRES_MD_FF STREQUAL "GAB")
@@ -165,6 +165,10 @@ 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 +219,16 @@ 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_${UNRES_MD_FF}_DFA.exe")
-else(UNRES_DFA)
- set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe")
-endif(UNRES_DFA)
+ set(DFA "_DFA")
+endif()
+if(UNRES_5D)
+ set(HCD-5D "_HCD-5D")
+endif()
+
+set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}${HCD-5D}${DFA}.exe")
 #=========================================
 # cinfo.f workaround for CMake
 #=========================================
@@ -236,7 +245,7 @@ FILE(WRITE ${CINFO}
        write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
 ")
 
-CINFO_FORMAT(${CINFO} "Compiled" "${DATE}" )
+CINFO_FORMAT(${CINFO} "Cmake run on " "${DATE}" )
 CINFO_FORMAT(${CINFO} "Compiled by" "$ENV{USER}@$ENV{HOST}" )
 CINFO_FORMAT(${CINFO} "OS name:" "${CMAKE_SYSTEM_NAME}" )
 CINFO_FORMAT(${CINFO} "OS release:" "${CMAKE_SYSTEM}" )