# # CMake project file for UNRES # cmake_minimum_required(VERSION 2.8) project(UNRESPACK Fortran C) set(UNRES_MAJOR 3) set(UNRES_MINOR 1) set(UNRES_PATCH 0) set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH}) #====================================== # CTest stuff #====================================== include(CTest) enable_testing() # Set makefile verbose on set( CMAKE_VERBOSE_MAKEFILE 1 ) #====================================== # Fortran compilers stuff #====================================== # Get the compiler name get_filename_component (Fortran_COMPILER_NAME ${CMAKE_Fortran_COMPILER} NAME) # Altough cmake enables you to set some compiler definitions it seems by default they are ignored. # This is a workaround to pass compiler definitions (preprocesor flags) to fortran compilers like ifort SET(CMAKE_Fortran_COMPILE_OBJECT " ${CMAKE_START_TEMP_FILE} -c -o ${CMAKE_END_TEMP_FILE}") #set(CPPFLAGS "-DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DSPLITELE -DLANGO -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" ) #add_definitions( ${CPPFLAGS} ) # make sure that the default is a RELEASE if (NOT CMAKE_BUILD_TYPE) set (CMAKE_BUILD_TYPE RELEASE CACHE STRING "Choose the type of build, options are: None Debug Release." FORCE) endif (NOT CMAKE_BUILD_TYPE) #======================================= # Set the varous build variables #======================================= # Set force field if (NOT UNRES_FF) set(UNRES_FF "GAB" "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" ) #message ( "Please set the Force field (UNRES_FF) to : GAB, 0ELE" ) endif (NOT UNRES_FF) # Use of MPI library (default ON) option(UNRES_WITH_MPI "Choose whether or not to use MPI library" ON ) #================================= # MPI stuff #================================= if(MPIF_LOCAL_DIR) find_library(MPIF_LIBRARY NAMES libmpich.a NO_DEFAULT_PATH PATHS ${MPIF_LOCAL_DIR}/lib) find_path( MPIF_INCLUDE_DIRECTORIES NAMES mpif.h NO_DEFAULT_PATH PATHS ${MPIF_LOCAL_DIR}/include ) else(MPIF_LOCAL_DIR) find_library(MPIF_LIBRARY NAMES mpich PATHS /users/local/mpi64/mpich-1.2.7p1/lib /usr/lib /usr/local/lib /usr/local/mpi/lib ) find_path( MPIF_INCLUDE_DIRECTORIES NAMES mpif.h PATHS /users/local/mpi64/mpich-1.2.7p1/include /usr/include /usr/local/include /usr/include/mpi /usr/local/mpi/include ) endif(MPIF_LOCAL_DIR) set( MPIF_LIBRARIES ${MPIF_LIBRARY}) if ( MPIF_INCLUDE_DIRECTORIES ) set( MPIF_FOUND TRUE ) message("MPIF found") else ( MPIF_INCLUDE_DIRECTORIES ) set( MPIF_FOUND FALSE ) message("MPIF not found - disabling MPI compile flags ") set ( UNRES_WITH_MPI "OFF") endif ( MPIF_INCLUDE_DIRECTORIES ) if (MPIF_FOUND) message("MPIF_LIBRARIES=${MPIF_LIBRARY}") message("MPIF_INCLUDE_DIRECTORIES=${MPIF_INCLUDE_DIRECTORIES}" ) endif(MPIF_FOUND) #====================================== # Detect system architecture # if( CMAKE_SIZEOF_VOID_P EQUAL 4 ) set(architektura "32") else (CMAKE_SIZEOF_VOID_P EQUAL 4) set(architektura "64") endif( CMAKE_SIZEOF_VOID_P EQUAL 4 ) message("Detected ${architektura}-bit architecture") #======================================= # Create diractories for build targets #======================================= #execute_process(COMMAND ${CMAKE_COMMAND} -E make_directory ${CMAKE_BINARY_DIR}/bin/unres/MD ) #======================================= # Add source files #======================================= add_subdirectory(source/unres/src_MD) if(UNRES_WITH_MPI) # add_subdirectory(source/unres/src_CSA) add_subdirectory(source/unres/src_MD-M) endif()