X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FCMakeLists.txt;h=c1645062612879c2ffb3bff04c1041f69d305bed;hb=50bbb7ed37fdeb4ea91a69e369aed72d9c0bbe79;hp=5565fff9a96bc1b2394d65875d457a150c97cba6;hpb=265eaae50a6395a702b10f889dd23a863e4bf1cf;p=unres.git diff --git a/source/wham/src/CMakeLists.txt b/source/wham/src/CMakeLists.txt index 5565fff..c164506 100644 --- a/source/wham/src/CMakeLists.txt +++ b/source/wham/src/CMakeLists.txt @@ -94,7 +94,7 @@ set(UNRES_WHAM_PP_SRC if (Fortran_COMPILER_NAME STREQUAL "ifort") set(FFLAGS0 "-mcmodel=medium -g -CB -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) elseif (Fortran_COMPILER_NAME STREQUAL "gfortran") - set(FFLAGS0 "-g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) + set(FFLAGS0 "-std=legacy -g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) endif (Fortran_COMPILER_NAME STREQUAL "ifort") @@ -108,10 +108,27 @@ endif(UNRES_WITH_MPI) set_property(SOURCE ${UNRES_WHAM_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} ) #========================================= -# WHAM preprocesor flags +# Settings for GAB force field #========================================= -set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" ) +if(UNRES_MD_FF STREQUAL "GAB" ) + # set preprocesor flags + set(CPPFLAGS "PROCOR -DSPLITELE -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB" ) + +#========================================= +# Settings for E0LL2Y force field +#========================================= +elseif(UNRES_MD_FF STREQUAL "E0LL2Y") + # set preprocesor flags + set(CPPFLAGS "PROCOR -DSPLITELE -DSCCORPDB" ) +endif(UNRES_MD_FF STREQUAL "GAB") + + +#========================================= +# Additional flags +#========================================= +set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN") + #========================================= # System specific flags