X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-M%2FCMakeLists.txt;h=d534ddbf5c2a6df5e6d92c68064c87b2da8a3778;hb=c4ef3eecd2008357d488bb12599cfe892137ab57;hp=c7882075964b61a7151c6b25ae526e2defaa5f6c;hpb=3aa160580140e8af99438854191735ee5f6b4910;p=unres.git diff --git a/source/wham/src-M/CMakeLists.txt b/source/wham/src-M/CMakeLists.txt index c788207..d534ddb 100644 --- a/source/wham/src-M/CMakeLists.txt +++ b/source/wham/src-M/CMakeLists.txt @@ -112,10 +112,24 @@ endif(UNRES_WITH_MPI) set_property(SOURCE ${UNRES_WHAM_M_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} ) #========================================= -# WHAM preprocesor flags +# Settings for GAB force field #========================================= +if(UNRES_MD_FF STREQUAL "GAB" ) + # set preprocesor flags + set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" ) -set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" ) +#========================================= +# Settings for E0LL2Y force field +#========================================= +elseif(UNRES_MD_FF STREQUAL "E0LL2Y") + # set preprocesor flags + set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" ) +endif(UNRES_MD_FF STREQUAL "GAB") + +#========================================= +# Additional flags +#========================================= +set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN") #========================================= # System specific flags