X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCMakeLists.txt;h=2dec9ec3a4d271b9abba2b3f2097ca49ead1aaa8;hb=22ea58d3be4c7c625b9c5fb0e9f6d1b2bf7428f6;hp=ecd2b5a2ddb0efc8f06dc74c9f25a08ddc6e00b6;hpb=8ca80e88c3aaf3974fef6d7ea574c26a4f0ca7da;p=unres.git diff --git a/source/unres/src_MD-M/CMakeLists.txt b/source/unres/src_MD-M/CMakeLists.txt index ecd2b5a..2dec9ec 100644 --- a/source/unres/src_MD-M/CMakeLists.txt +++ b/source/unres/src_MD-M/CMakeLists.txt @@ -81,6 +81,7 @@ set(UNRES_MDM_SRC0 sc_move.F shift.F sort.f + ssMD.F stochfric.F sumsld.f surfatom.f @@ -89,7 +90,6 @@ set(UNRES_MDM_SRC0 timing.F together.F unres.F - ssMD.F ) set(UNRES_MDM_SRC3 energy_p_new_barrier.F energy_p_new-sep_barrier.F gradient_p.F ) @@ -142,6 +142,7 @@ set(UNRES_MDM_PP_SRC rmsd.F sc_move.F shift.F + ssMD.F stochfric.F sumsld.f test.F @@ -192,14 +193,14 @@ set_property(SOURCE ${UNRES_MDM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} ) #========================================= if(UNRES_MD_FF STREQUAL "GAB" ) # set preprocesor flags - set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" ) + set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB -DTIMING -DTIMING_ENE" ) #========================================= # Settings for E0LL2Y force field #========================================= elseif(UNRES_MD_FF STREQUAL "E0LL2Y") # set preprocesor flags - set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0" ) + set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 " ) endif(UNRES_MD_FF STREQUAL "GAB") @@ -224,6 +225,9 @@ elseif (Fortran_COMPILER_NAME STREQUAL "f95") elseif (Fortran_COMPILER_NAME STREQUAL "gfortran") # Add old gfortran flags set(CPPFLAGS "${CPPFLAGS} -DG77") +else (Fortran_COMPILER_NAME STREQUAL "ifort") + # Default preprocessor flags + set(CPPFLAGS "${CPPFLAGS} -DPGI") endif (Fortran_COMPILER_NAME STREQUAL "ifort") @@ -321,7 +325,7 @@ target_link_libraries( UNRES_BIN-MD-M xdrf ) #========================================= # Install Path #========================================= -install(TARGETS UNRES_BIN-MD-M DESTINATION ${CMAKE_INSTALL_PREFIX}) +install(TARGETS UNRES_BIN-MD-M DESTINATION ${CMAKE_INSTALL_PREFIX}/unres/MD) #========================================= # TESTS