X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD-5D%2FCMakeLists.txt;h=f7541e32b80c991e79e1e5642443ecd73effa4d9;hb=915aca0187c1157b991cb5f13960e82e3007cca6;hp=29b4616e493de46b4890baedd6b32c1797cb6b37;hpb=020e579626d686ec20ecd9f0cc4c8313f474e152;p=unres.git

diff --git a/source/cluster/wham/src-HCD-5D/CMakeLists.txt b/source/cluster/wham/src-HCD-5D/CMakeLists.txt
index 29b4616..f7541e3 100644
--- a/source/cluster/wham/src-HCD-5D/CMakeLists.txt
+++ b/source/cluster/wham/src-HCD-5D/CMakeLists.txt
@@ -32,7 +32,7 @@ set(UNRES_CLUSTER_WHAM_M_SRC0
 	 printmat.f
 	 probabl.F
 	 read_coords.F
-	 readpdb.F
+	 readpdb-mult.F
 	 readrtns.F
 	 rescode.f
 	 setup_var.f
@@ -51,6 +51,7 @@ set(UNRES_CLUSTER_WHAM_M_SRC0
          TMscore.F
          refsys.f
          read_constr_homology.F
+         boxshift.f
 )
 
 set(UNRES_CLUSTER_WHAM_M_PP_SRC
@@ -72,7 +73,7 @@ set(UNRES_CLUSTER_WHAM_M_PP_SRC
 	rmscalc.F
 	TMscore.F
 	read_constr_homology.F
-	readpdb.F
+	readpdb-mult.F
 ) 
 
 if(UNRES_DFA)
@@ -112,16 +113,16 @@ 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 +136,10 @@ if(UNRES_DFA)
  set(CPPFLAGS "${CPPFLAGS} -DDFA")
 endif(UNRES_DFA)
 
+if(UNRES_5D)
+ set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG" )
+endif()
+
 #=========================================
 # Compiler specific flags
 #=========================================
@@ -179,11 +184,16 @@ set_property(SOURCE proc_proc.c PROPERTY COMPILE_DEFINITIONS "LINUX -DPGI" )
 #========================================
 #  Setting binary name
 #========================================
+
+set(DFA "")
+set(HCD-5D "")
 if(UNRES_DFA)
- set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${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