# 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 )
-enable_language (Fortran)
+# 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_Fortran_COMPILER> ${CMAKE_START_TEMP_FILE} <FLAGS> <DEFINES> -c <SOURCE> -o <OBJECT> ${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."
+ "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)
-
-