X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=CMakeLists.txt;h=13cfec2e70d9db32ba178173349911cb7089dbb4;hb=25a2005fefa69509c2e1eaf90847e897d81a903e;hp=54c8f7fcf730f83c0b7df74e2b7ffc9d2923bda7;hpb=8ca80e88c3aaf3974fef6d7ea574c26a4f0ca7da;p=unres.git

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 54c8f7f..13cfec2 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -63,6 +63,13 @@ MACRO (CINFO_FORMAT FN VN VD)
 	file(APPEND ${FN} "       write(iout,*)'${STR}'\n")
     endif(SUMA GREATER 50)
 ENDMACRO (CINFO_FORMAT)
+
+# Some MPI wrappers pass double include paths
+# This macro fixes broken by semicolon occurence in path
+MACRO (FIX_DBL_INCLUDE RESULT)
+  string(REPLACE ";" " -I" ${RESULT} "${${RESULT}}")
+ENDMACRO (FIX_DBL_INCLUDE)
+
 #======================================
 # CTest stuff
 #======================================A
@@ -86,8 +93,8 @@ 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_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "None" "Debug" "Release" )
+  set (CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo." FORCE)
+  set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "None" "Debug" "Release" "RelWithDebInfo")
 endif (NOT CMAKE_BUILD_TYPE)
 
 
@@ -109,13 +116,13 @@ set(CMAKE_INSTALL_PREFIX "${CMAKE_SOURCE_DIR}/bin" CACHE PATH "Binary install di
 
 # Set force field
 if (NOT UNRES_FF)
-  set(UNRES_MD_FF "GAB" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
+  set(UNRES_MD_FF "E0LL2Y" 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(UNRES_CSA_FF "E0LL2Y" 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)
 
@@ -126,6 +133,7 @@ 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 )
 
+option(UNRES_DFA "Choose whether or not to use DFA" OFF )
 
 #=================================
 # MPI stuff
@@ -136,6 +144,7 @@ find_package(MPI QUIET)
 
 if (MPI_Fortran_FOUND)
   message("MPI found")
+  FIX_DBL_INCLUDE(MPI_Fortran_INCLUDE_PATH)
 else()
   message("MPI not found - disabling MPI compile flags ")
   set ( UNRES_WITH_MPI "OFF")
@@ -176,7 +185,6 @@ if(UNRES_NA_MMCE)
       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")
@@ -189,14 +197,12 @@ if(UNRES_NA_MMCE)
   add_subdirectory(source/cluster/unres/src)
   add_subdirectory(source/xdrfpdb/src)
   add_subdirectory(source/xdrfpdb/src-M)
-  add_subdirectory(source/maxlik/src_CSA)
 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/unres/src_CSA_DiL)
     add_subdirectory(source/wham/src)
     add_subdirectory(source/wham/src-M)
     add_subdirectory(source/cluster/wham/src)
@@ -206,6 +212,6 @@ else()
   add_subdirectory(source/cluster/unres/src)
   add_subdirectory(source/xdrfpdb/src)
   add_subdirectory(source/xdrfpdb/src-M)
-  add_subdirectory(source/maxlik/src_CSA)
+  add_subdirectory(source/unres-dock)
 endif(UNRES_NA_MMCE)