# # 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 ${SIMPLE_MAJOR}.${SIMPLE_MINOR}.${SIMPLE_PATCH}) # Set makefile verbose on set( CMAKE_VERBOSE_MAKEFILE 1 ) # MPI stuff if(MPIF_LOCAL_DIR) find_library(MPIF_LIBRARY NAMES mpif77 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 mpif77 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 AND MPIF_LIBRARIES ) set( MPIF_FOUND TRUE ) message("MPIF found") else ( MPIF_INCLUDE_DIRECTORIES AND MPIF_LIBRARIES ) set( MPIF_FOUND FALSE ) message("MPIF_ID: ${MPIF_INCLUDE_DIRECTORIES} MPIF_LIB: ${MPIF_LIBRARIES}") message("MPIF not found") endif ( MPIF_INCLUDE_DIRECTORIES AND MPIF_LIBRARIES ) # End OF MPI stuff if (MPIF_FOUND) messege("MPI library "${MPIF_INCLUDE_DIRECTORIES} ) endif(MPIF_FOUND) 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" ) # Apply them to *.F sources add_definitions( ${CPPFLAGS} ) enable_language (Fortran) # 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 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) add_subdirectory(source)