X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCMakeLists.txt;h=eed7732cf62a68ebb81310ce99301cb4daf51550;hb=3a3ee5013eef26f00c82b6948724fd9c54accc15;hp=f88fb4f257c8cc3befce16d584ee9f0e6b63954b;hpb=c6335222f02abf32e0cc697ec8a4666c754655b9;p=unres.git diff --git a/source/unres/src_MD-M/CMakeLists.txt b/source/unres/src_MD-M/CMakeLists.txt index f88fb4f..eed7732 100644 --- a/source/unres/src_MD-M/CMakeLists.txt +++ b/source/unres/src_MD-M/CMakeLists.txt @@ -5,11 +5,6 @@ enable_language (Fortran) #================================ -# build the xdrf library -#================================ -#add_subdirectory(xdrf) - -#================================ # Set source file lists #================================ set(UNRES_MDM_SRC0 @@ -71,6 +66,7 @@ set(UNRES_MDM_SRC0 permut.F pinorm.f printmat.f + prng_32.F q_measure.F ran.f randgens.f @@ -96,15 +92,6 @@ set(UNRES_MDM_SRC0 ssMD.F ) -if (Fortran_COMPILER_NAME STREQUAL "ifort") - set(UNRES_MDM_SRC0 ${UNRES_MDM_SRC0} prng.f ) -elseif(Fortran_COMPILER_NAME STREQUAL "mpif90") - set(UNRES_MDM_SRC0 ${UNRES_MDM_SRC0} prng.f ) -else() - set(UNRES_MDM_SRC0 ${UNRES_MDM_SRC0} prng_32.F ) -endif (Fortran_COMPILER_NAME STREQUAL "ifort") - - set(UNRES_MDM_SRC3 energy_p_new_barrier.F energy_p_new-sep_barrier.F gradient_p.F ) set(UNRES_MDM_PP_SRC @@ -142,6 +129,7 @@ set(UNRES_MDM_PP_SRC newconf.f parmread.F permut.F + prng_32.F q_measure1.F q_measure3.F q_measure.F @@ -188,10 +176,10 @@ endif (Fortran_COMPILER_NAME STREQUAL "ifort") # Add MPI compiler flags if(UNRES_WITH_MPI) - set(FFLAGS0 "${FFLAGS0} -I${MPIF_INCLUDE_DIRECTORIES}") - set(FFLAGS1 "${FFLAGS1} -I${MPIF_INCLUDE_DIRECTORIES}") - set(FFLAGS2 "${FFLAGS2} -I${MPIF_INCLUDE_DIRECTORIES}") - set(FFLAGS3 "${FFLAGS3} -I${MPIF_INCLUDE_DIRECTORIES}") + set(FFLAGS0 "${FFLAGS0} -I${MPI_Fortran_INCLUDE_PATH}") + set(FFLAGS1 "${FFLAGS1} -I${MPI_Fortran_INCLUDE_PATH}") + set(FFLAGS2 "${FFLAGS2} -I${MPI_Fortran_INCLUDE_PATH}") + set(FFLAGS3 "${FFLAGS3} -I${MPI_Fortran_INCLUDE_PATH}") endif(UNRES_WITH_MPI) set_property(SOURCE ${UNRES_MDM_SRC0} APPEND PROPERTY COMPILE_FLAGS ${FFLAGS0} ) @@ -247,7 +235,9 @@ if (UNRES_WITH_MPI) endif(UNRES_WITH_MPI) +#========================================= # add 64-bit specific preprocessor flags +#========================================= if (architektura STREQUAL "64") set(CPPFLAGS "${CPPFLAGS} -DAMD64") endif (architektura STREQUAL "64") @@ -266,10 +256,10 @@ set_property(SOURCE proc_proc.c PROPERTY COMPILE_DEFINITIONS "SGI" ) #======================================== if(UNRES_WITH_MPI) # binary with mpi - set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_FF}.exe") + set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_MD_FF}.exe") else(UNRES_WITH_MPI) # binary without mpi - set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_FF}.exe") + set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe") endif(UNRES_WITH_MPI) #========================================= @@ -323,7 +313,7 @@ set_target_properties(UNRES_BIN-MD-M PROPERTIES OUTPUT_NAME ${UNRES_BIN}) #========================================= # link MPI library (libmpich.a) if(UNRES_WITH_MPI) - target_link_libraries( UNRES_BIN-MD-M ${MPIF_LIBRARIES} ) + target_link_libraries( UNRES_BIN-MD-M ${MPI_Fortran_LIBRARIES} ) endif(UNRES_WITH_MPI) # link libxdrf.a #message("UNRES_XDRFLIB=${UNRES_XDRFLIB}")