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dyn-ss in MD-M
[unres.git]
/
source
/
unres
/
src_MD-M
/
CMakeLists.txt
diff --git
a/source/unres/src_MD-M/CMakeLists.txt
b/source/unres/src_MD-M/CMakeLists.txt
index
cba4cc2
..
1f40e66
100644
(file)
--- a/
source/unres/src_MD-M/CMakeLists.txt
+++ b/
source/unres/src_MD-M/CMakeLists.txt
@@
-93,6
+93,7
@@
set(UNRES_MDM_SRC0
timing.F
together.F
unres.F
timing.F
together.F
unres.F
+ ssMD.F
)
if (Fortran_COMPILER_NAME STREQUAL "ifort")
)
if (Fortran_COMPILER_NAME STREQUAL "ifort")
@@
-203,7
+204,7
@@
set_property(SOURCE ${UNRES_MDM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
#=========================================
if(UNRES_MD_FF STREQUAL "GAB" )
# set preprocesor flags
#=========================================
if(UNRES_MD_FF STREQUAL "GAB" )
# set preprocesor flags
- set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
+ set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB -DTIMING -DTIMING_ENE" )
#=========================================
# Settings for E0LL2Y force field
#=========================================
# Settings for E0LL2Y force field
@@
-268,10
+269,10
@@
set_property(SOURCE proc_proc.c PROPERTY COMPILE_DEFINITIONS "SGI" )
#========================================
if(UNRES_WITH_MPI)
# binary with mpi
#========================================
if(UNRES_WITH_MPI)
# binary with mpi
- set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_FF}.exe")
+ set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_MD_FF}.exe")
else(UNRES_WITH_MPI)
# binary without mpi
else(UNRES_WITH_MPI)
# binary without mpi
- set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_FF}.exe")
+ set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
endif(UNRES_WITH_MPI)
#=========================================
endif(UNRES_WITH_MPI)
#=========================================