project(UNRESPACK Fortran C)
set(UNRES_MAJOR 3)
-set(UNRES_MINOR 1)
-set(UNRES_PATCH 0)
+set(UNRES_MINOR 2)
+set(UNRES_PATCH 1)
set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
#======================================
# MPI stuff
#=================================
-# Note for the future - use finde package to get MPI
-find_package(MPI)
-
-#if(MPI_LIBRARY)
-
-#MPI_INCLUDE_PATH
-
-
-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 mpi mpich PATHS
- ${MPI_LIBRARY}
- ${MPI_EXTRA_LIBRARY}
- /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
- ${MPI_INCLUDE_PATH}
- /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 ${MPIF_LIBRARY})
-
-if ( MPIF_INCLUDE_DIRECTORIES )
- set( MPIF_FOUND TRUE )
+# Note for the future - use find package to get MPI
+find_package(MPI QUIET)
+
+if (MPI_Fortran_FOUND)
message("MPI found")
-else ( MPIF_INCLUDE_DIRECTORIES )
- set( MPIF_FOUND FALSE )
+else()
message("MPI not found - disabling MPI compile flags ")
set ( UNRES_WITH_MPI "OFF")
-endif ( MPIF_INCLUDE_DIRECTORIES )
-
-if (MPIF_FOUND)
- message("MPIF_LIBRARIES=${MPIF_LIBRARY}")
- message("MPIF_INCLUDE_DIRECTORIES=${MPIF_INCLUDE_DIRECTORIES}" )
-endif(MPIF_FOUND)
-
-
+endif(MPI_Fortran_FOUND)
#======================================
# Detect system architecture
add_subdirectory(source/unres/src_MD)
add_subdirectory(source/unres/src_MD-M)
add_subdirectory(source/unres/src_CSA)
+ add_subdirectory(source/unres/src_CSA_DiL)
add_subdirectory(source/cluster/wham/src)
add_subdirectory(source/cluster/wham/src-M)
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
if(UNRES_WITH_MPI)
add_subdirectory(source/unres/src_MD-M)
add_subdirectory(source/unres/src_CSA)
+ add_subdirectory(source/unres/src_CSA_DiL)
add_subdirectory(source/wham/src)
add_subdirectory(source/wham/src-M)
add_subdirectory(source/cluster/wham/src)