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cluster wham test homo small memory single sco
[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
f4ca643
..
42d52e9
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
readrtns.F
read_constr_homology.F
arcos.f
- cartder.f
cartprint.f
chainbuild.F
geomout.F
cartprint.f
chainbuild.F
geomout.F
@@
-49,7
+48,7
@@
set(UNRES_WHAM_M_SRC0
PMFprocess.F
oligomer.F
readrtns_compar.F
PMFprocess.F
oligomer.F
readrtns_compar.F
- readpdb.F
+ readpdb-mult.F
fitsq.f
contact.f
elecont.f
fitsq.f
contact.f
elecont.f
@@
-68,6
+67,7
@@
set(UNRES_WHAM_M_SRC0
define_pairs.f
mysort.f
ssMD.F
define_pairs.f
mysort.f
ssMD.F
+ boxshift.f
)
set(UNRES_WHAM_M_PP_SRC
)
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
PMFprocess.F
read_constr_homology.F
read_dist_constr.F
- readpdb.F
+ readpdb-mult.F
read_ref_str.F
readrtns_compar.F
readrtns.F
read_ref_str.F
readrtns_compar.F
readrtns.F
@@
-165,6
+165,10
@@
set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DWHAM")
if(UNRES_DFA)
set(CPPFLAGS "${CPPFLAGS} -DDFA")
endif(UNRES_DFA)
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 ${CPPFLA
#========================================
# Setting binary name
#========================================
#========================================
# Setting binary name
#========================================
+set(DFA "")
+set(HCD-5D "")
if(UNRES_DFA)
if(UNRES_DFA)
- set(UNRES_WHAM_M_BIN "wham-mult_${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
#=========================================
#=========================================
# cinfo.f workaround for CMake
#=========================================