X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=CMakeLists.txt;h=518075271bc707960b3fc50903973a9449c5c230;hb=8889f8be9b85751ccce8d13da6dae495175f2885;hp=a343543bb3d6962b3f1df7c3d0e158e52a2595d7;hpb=55d75fc5211f284fc032dbb7fbb0fb6eff427a10;p=unres.git

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a343543..5180752 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -35,7 +35,8 @@ SET(CMAKE_Fortran_COMPILE_OBJECT "<CMAKE_Fortran_COMPILER>  ${CMAKE_START_TEMP_F
    
 # 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)
+  set (CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: None Debug Release." FORCE)
+  set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "None" "Debug" "Release" )
 endif (NOT CMAKE_BUILD_TYPE)
    
 #=======================================  
@@ -44,28 +45,50 @@ endif (NOT CMAKE_BUILD_TYPE)
 
 # 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" )
+  set(UNRES_MD_FF "GAB" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
+  set_property(CACHE UNRES_MD_FF PROPERTY STRINGS "GAB" "E0LL2Y")
 endif (NOT UNRES_FF)
 
+# Set CSA version force field
+if (NOT UNRES_CSA_FF)
+  set(UNRES_CSA_FF "4P" CACHE STRING "Choose the CSA version force field, options are: CASP3 ALPHA BETA ALPHABETA CASP5 3P 4P" )
+  set_property(CACHE UNRES_CSA_FF PROPERTY STRINGS "CASP3" "ALPHA" "BETA" "ALPHABETA" "CASP5" "3P" "4P" ) 
+endif (NOT UNRES_CSA_FF)
+
 # Use of MPI library (default ON)
 option(UNRES_WITH_MPI "Choose whether or not to use MPI library" ON )
 
+
+# Piasek cluster devel stuff
+option(UNRES_NA_MMCE "Kompilujemy na mmmce?" OFF )
+
+
 #=================================
 # 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 mpich PATHS 
+  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   
@@ -78,10 +101,10 @@ set( MPIF_LIBRARIES  ${MPIF_LIBRARY})
 
 if ( MPIF_INCLUDE_DIRECTORIES )
   set( MPIF_FOUND TRUE )
-  message("MPIF found")
+  message("MPI found")
 else ( MPIF_INCLUDE_DIRECTORIES )
   set( MPIF_FOUND FALSE )
-  message("MPIF not found - disabling MPI compile flags ")
+  message("MPI not found - disabling MPI compile flags ")
   set ( UNRES_WITH_MPI "OFF")
 endif ( MPIF_INCLUDE_DIRECTORIES )
 
@@ -94,7 +117,7 @@ endif(MPIF_FOUND)
 
 #======================================
 # Detect system architecture
-#
+#=======================================
 
 if( CMAKE_SIZEOF_VOID_P EQUAL 4 )
   set(architektura "32")
@@ -104,6 +127,14 @@ endif( CMAKE_SIZEOF_VOID_P EQUAL 4 )
 
 message("Detected ${architektura}-bit architecture")	
 
+#=======================================
+# Find other libraries
+#=======================================
+
+# used by unres/src_MIN
+find_package (Threads)
+
+
 
 #=======================================
 #  Create diractories for build targets
@@ -113,11 +144,47 @@ message("Detected ${architektura}-bit architecture")
 #=======================================
 # 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()
 
+add_subdirectory(source/lib/xdrf)
+
+
+if(UNRES_NA_MMCE)
+
+  if(UNRES_WITH_MPI)
+    # Brak MPI dla gfortrana, wiec tylko na ifort sie skompiluje
+    if (Fortran_COMPILER_NAME STREQUAL "ifort")
+      add_subdirectory(source/unres/src_MD)
+      add_subdirectory(source/unres/src_MD-M)
+      add_subdirectory(source/unres/src_CSA)
+      add_subdirectory(source/cluster/wham/src)
+      add_subdirectory(source/cluster/wham/src-M)
+    endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+  else()
+    add_subdirectory(source/unres/src_MD)
+    # src_MD-M doesn't work yet witout MPI
+    # add_subdirectory(source/unres/src_MD-M)
+  endif()
+  add_subdirectory(source/unres/src_MIN)
+  add_subdirectory(source/cluster/unres/src)
+  add_subdirectory(source/xdrfpdb/src)
+  add_subdirectory(source/xdrfpdb/src-M)
+
+else()
+
+  add_subdirectory(source/unres/src_MD)
+  if(UNRES_WITH_MPI)
+    add_subdirectory(source/unres/src_MD-M)
+    add_subdirectory(source/unres/src_CSA)
+    add_subdirectory(source/wham/src)
+    add_subdirectory(source/wham/src-M)
+    add_subdirectory(source/cluster/wham/src)
+    add_subdirectory(source/cluster/wham/src-M)
+  endif(UNRES_WITH_MPI)
+  add_subdirectory(source/unres/src_MIN)
+  add_subdirectory(source/cluster/unres/src)
+  add_subdirectory(source/xdrfpdb/src)
+  add_subdirectory(source/xdrfpdb/src-M)
+
+endif(UNRES_NA_MMCE)