printmat.f
probabl.F
read_coords.F
- readpdb.F
+ readpdb-mult.F
readrtns.F
rescode.f
setup_var.f
TMscore.F
refsys.f
read_constr_homology.F
+ boxshift.f
)
set(UNRES_CLUSTER_WHAM_M_PP_SRC
rmscalc.F
TMscore.F
read_constr_homology.F
- readpdb.F
+ readpdb-mult.F
)
if(UNRES_DFA)
set(CPPFLAGS "${CPPFLAGS} -DDFA")
endif(UNRES_DFA)
+if(UNRES_5D)
+ set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG" )
+endif()
+
#=========================================
# Compiler specific flags
#=========================================
#========================================
# 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}_HCD-5D_DFA.exe")
-else(UNRES_DFA)
- set(UNRES_CLUSTER_WHAM_M_BIN "cluster_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_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}${HCD-5D}${DFA}.exe")
#=========================================
# cinfo.f workaround for CMake