X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FCMakeLists.txt;h=b6184495842303201992160a0742cf3b6982d91f;hb=e37d739bbb104dff7a0c2965558195db02d89e34;hp=e00a115ebad887c58dfb8cebdee378ba6bdf7c4e;hpb=43fd38cadfbe4659305fdd450cb851601dd6654c;p=unres.git diff --git a/source/unres/src_MD-M/CMakeLists.txt b/source/unres/src_MD-M/CMakeLists.txt index e00a115..b618449 100644 --- a/source/unres/src_MD-M/CMakeLists.txt +++ b/source/unres/src_MD-M/CMakeLists.txt @@ -7,7 +7,7 @@ enable_language (Fortran) #================================ # build the xdrf library #================================ -add_subdirectory(xdrf) +#add_subdirectory(xdrf) #================================ # Set source file lists @@ -71,7 +71,6 @@ set(UNRES_MDM_SRC0 permut.F pinorm.f printmat.f - prng_32.F q_measure.F ran.f randgens.f @@ -96,6 +95,13 @@ set(UNRES_MDM_SRC0 unres.F ) +if (Fortran_COMPILER_NAME STREQUAL "ifort") + 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 @@ -133,7 +139,6 @@ set(UNRES_MDM_PP_SRC newconf.f parmread.F permut.F - prng_32.F q_measure1.F q_measure3.F q_measure.F @@ -156,6 +161,11 @@ set(UNRES_MDM_PP_SRC ) +if(NOT Fortran_COMPILER_NAME STREQUAL "ifort") + set(UNRES_MDM_PP_SRC "${UNRES_MDM_PP_SRC} prng_32.F") +endif(NOT Fortran_COMPILER_NAME STREQUAL "ifort") + + #================================================ # Set comipiler flags for different sourcefiles #================================================ @@ -190,36 +200,46 @@ set_property(SOURCE ${UNRES_MDM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} ) #========================================= # Settings for GAB force field #========================================= -if(UNRES_FF STREQUAL "GAB" ) +if(UNRES_MD_FF STREQUAL "GAB" ) # set preprocesor flags - set(CPPFLAGS "PROCOR -DLINUX -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" ) - - if (Fortran_COMPILER_NAME STREQUAL "ifort") - # Add ifort preprocessor flags - set(CPPFLAGS "${CPPFLAGS} -DPGI") - elseif (Fortran_COMPILER_NAME STREQUAL "f95") - # Add gfortran flags - set(CPPFLAGS "${CPPFLAGS} -DG77") - elseif (Fortran_COMPILER_NAME STREQUAL "gfortran") - # Add gfortran flags - set(CPPFLAGS "${CPPFLAGS} -DG77") - endif (Fortran_COMPILER_NAME STREQUAL "ifort") + set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" ) #========================================= # Settings for E0LL2Y force field #========================================= -elseif(UNRES_FF STREQUAL "E0LL2Y") +elseif(UNRES_MD_FF STREQUAL "E0LL2Y") # set preprocesor flags - set(CPPFLAGS "PROCOR -DLINUX -DUNRES -DISNAN -DSPLITELE -DLANG0" ) + set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0" ) +endif(UNRES_MD_FF STREQUAL "GAB") - if (Fortran_COMPILER_NAME STREQUAL "ifort") - # Add ifort preprocessor flags - set(CPPFLAGS "${CPPFLAGS} -DPGI") - endif (Fortran_COMPILER_NAME STREQUAL "ifort") -endif(UNRES_FF STREQUAL "GAB") +#========================================= +# System specific flags +#========================================= +if(${CMAKE_SYSTEM_NAME} MATCHES "Linux") + set(CPPFLAGS "${CPPFLAGS} -DLINUX") +endif(${CMAKE_SYSTEM_NAME} MATCHES "Linux") + +#========================================= +# Compiler specific flags +#========================================= + +if (Fortran_COMPILER_NAME STREQUAL "ifort") + # Add ifort preprocessor flags + set(CPPFLAGS "${CPPFLAGS} -DPGI") +elseif (Fortran_COMPILER_NAME STREQUAL "f95") + # Add new gfortran flags + set(CPPFLAGS "${CPPFLAGS} -DG77") +elseif (Fortran_COMPILER_NAME STREQUAL "gfortran") + # Add old gfortran flags + set(CPPFLAGS "${CPPFLAGS} -DG77") +endif (Fortran_COMPILER_NAME STREQUAL "ifort") + + +#========================================= # Add MPI preprocessor flags +#========================================= if (UNRES_WITH_MPI) set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") endif(UNRES_WITH_MPI) @@ -289,7 +309,7 @@ if(UNRES_WITH_MPI) endif(UNRES_WITH_MPI) # link libxdrf.a #message("UNRES_XDRFLIB=${UNRES_XDRFLIB}") -target_link_libraries( UNRES_BIN-MD-M xdrf-MD-M ) +target_link_libraries( UNRES_BIN-MD-M xdrf ) #========================================= # TESTS