X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FCMakeLists.txt;h=0b80a8a91936d005c7896da518f1fdaf08c5d05a;hb=df5ad6c769f328b01ef15673420b789f998f0d83;hp=211072c9a2c7be898c728561480cc284b42bb691;hpb=7980f79b7d2bac583153caace7127c57b89119aa;p=unres.git diff --git a/source/unres/src-HCD-5D/CMakeLists.txt b/source/unres/src-HCD-5D/CMakeLists.txt index 211072c..0b80a8a 100644 --- a/source/unres/src-HCD-5D/CMakeLists.txt +++ b/source/unres/src-HCD-5D/CMakeLists.txt @@ -238,13 +238,16 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y") elseif(UNRES_MD_FF STREQUAL "4P") set(CPPFLAGS "UNRES -DISNAN -DSPLITELE -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 -DLBFGS" ) + set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD" ) endif(UNRES_MD_FF STREQUAL "GAB") if(UNRES_DFA) set(CPPFLAGS "${CPPFLAGS} -DDFA") endif(UNRES_DFA) +if(UNRES_5D) + set(CPPFLAGS "${CPPFLAGS} -DFIVEDIAG -DLBFGS" ) +endif() #========================================= # System specific flags @@ -301,16 +304,22 @@ set_property(SOURCE ${UNRES_MDM_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} #======================================== # Setting binary name #======================================== + +set(DFA "") +set(HCD-5D "") +if(UNRES_DFA) + set(DFA "_DFA") +endif() +if(UNRES_5D) + set(HCD-5D "_HCD-5D") +endif() + if(UNRES_WITH_MPI) # binary with mpi - if(UNRES_DFA) - set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D_DFA.exe") - else(UNRES_DFA) - set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D.exe") - endif(UNRES_DFA) + set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}${HCD-5D}${DFA}.exe") else(UNRES_WITH_MPI) # binary without mpi - set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}_HCD-5D.exe") + set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}${HCD-5D}${DFA}.exe") endif(UNRES_WITH_MPI) #=========================================