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adding in cmake UNRES_MD_FF = 4P for wham and cluster
[unres.git]
/
source
/
wham
/
src
/
CMakeLists.txt
diff --git
a/source/wham/src/CMakeLists.txt
b/source/wham/src/CMakeLists.txt
index
09848db
..
6bfb1c2
100644
(file)
--- a/
source/wham/src/CMakeLists.txt
+++ b/
source/wham/src/CMakeLists.txt
@@
-125,6
+125,8
@@
if(UNRES_MD_FF STREQUAL "GAB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
# set preprocesor flags
set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" )
+elseif(UNRES_MD_FF STREQUAL "4P")
+ set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" )
endif(UNRES_MD_FF STREQUAL "GAB")
endif(UNRES_MD_FF STREQUAL "GAB")
@@
-177,7
+179,7
@@
set_property(SOURCE ${UNRES_WHAM_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS
#========================================
# Setting binary name
#========================================
#========================================
# Setting binary name
#========================================
-set(UNRES_WHAM_BIN "wham_${Fortran_COMPILER_NAME}.exe")
+set(UNRES_WHAM_BIN "wham_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe")
#=========================================
# cinfo.f workaround for CMake
#=========================================
# cinfo.f workaround for CMake