X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD-5D%2FCMakeLists.txt;h=cc91281d69422ab0ec81f0259d2f4b2b799933ae;hb=df5ad6c769f328b01ef15673420b789f998f0d83;hp=aa990032ddb4a2fb0747e329f2336feef6a2acfe;hpb=7980f79b7d2bac583153caace7127c57b89119aa;p=unres.git diff --git a/source/wham/src-HCD-5D/CMakeLists.txt b/source/wham/src-HCD-5D/CMakeLists.txt index aa99003..cc91281 100644 --- a/source/wham/src-HCD-5D/CMakeLists.txt +++ b/source/wham/src-HCD-5D/CMakeLists.txt @@ -154,7 +154,7 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y") elseif(UNRES_MD_FF STREQUAL "4P") set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB -DFOURBODY" ) elseif(UNRES_MD_FF STREQUAL "NEWCORR") - set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG" ) + set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD" ) endif(UNRES_MD_FF STREQUAL "GAB") #========================================= @@ -165,6 +165,10 @@ set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DWHAM") if(UNRES_DFA) set(CPPFLAGS "${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 ${CPPFLA #======================================== # Setting binary name #======================================== +set(DFA "") +set(HCD-5D "") if(UNRES_DFA) - set(UNRES_WHAM_M_BIN "wham-mult_${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 #=========================================