Merge branch 'devel' of mmka.chem.univ.gda.pl:unres into devel

diff --combined CMakeLists.txt
index 2446895,5f701f7..f933d69
--- 1/CMakeLists.txt
--- 2/CMakeLists.txt
+++ b/CMakeLists.txt
@@@ -9,10 -9,63 +9,63 @@@ set(UNRES_MAJOR 3
  set(UNRES_MINOR 1)
  set(UNRES_PATCH 0)
  set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
-  
+ 
  #======================================
- # CTest stuff
+ # MACROS
+ #======================================
+ 
+ # Get system date
+ MACRO (TODAY RESULT)
+     IF (WIN32)
+         EXECUTE_PROCESS(COMMAND "date" "/T" OUTPUT_VARIABLE ${RESULT})
+         string(REGEX REPLACE "(..)/(..)/..(..).*" "\\3\\2\\1" ${RESULT} ${${RESULT}})
+     ELSEIF(UNIX)
+         EXECUTE_PROCESS(COMMAND "date" OUTPUT_VARIABLE ${RESULT})
+         string(REGEX REPLACE "(...) (...) (.+) (..:..:..) (.+) (....).*" "\\1 \\2 \\3 \\4 \\5 \\6" ${RESULT} ${${RESULT}})
+     ELSE (WIN32)
+         MESSAGE(SEND_ERROR "date not implemented")
+         SET(${RESULT} 000000)
+     ENDIF (WIN32)
+ ENDMACRO (TODAY)
+ 
+ # foramt variables used in cinfo.f 
+ MACRO (CINFO_FORMAT FN VN VD)
+ # 50 znakowi
+ # 73 w całej linii
+ #        write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...'
+     string(LENGTH "${VN}" VNLEN)
+     string(LENGTH "${VD}" VDLEN)
+     set(STR "${VN} ${VD}")
+     string(LENGTH "${STR}" SUMA)
+     math(EXPR STRLEN 50-${VNLEN})
+ #    message("lancuch=${STRLEN}") 
+ # Fit in one line?
+ # No.
+     if(SUMA GREATER 50)       
+         string(SUBSTRING "${STR}" 0 50 STR_OUT) 
+ #        message("        write(iout,*)'${VAR} = ${STR_OUT}'") 
+         file(APPEND ${FN} "       write(iout,*)'${STR_OUT}'\n")
+         math(EXPR STRLEN ${SUMA}-50)
+         string(SUBSTRING "${STR}" 50 ${STRLEN} STR)
+         string(LENGTH "${STR}" STRLEN)
+         while(STRLEN GREATER 48)
+ #            message("Przycinam lancuch")
+             string(SUBSTRING "${STR}" 0 48 STR_OUT)  
+             file(APPEND ${FN} "       write(iout,*)'  ${STR_OUT}'\n")
+             math(EXPR STRLEN ${STRLEN}-49)
+             string(SUBSTRING "${STR}" 49 ${STRLEN} STR)
+             string(LENGTH "${STR}" STRLEN)
+         endwhile(STRLEN GREATER 48)   
+         file(APPEND ${FN} "       write(iout,*)'  ${STR}'\n")
+ #        MESSAGE("DLUGOSC = ${VNLEN}; DLUGOSCD = ${VDLEN}; SUMA=${SUMA}; ${VAR} = ${${VAR}} " )
+ # Yes
+     else(SUMA GREATER 50)
+       file(APPEND ${FN} "       write(iout,*)'${STR}'\n")
+     endif(SUMA GREATER 50)
+ ENDMACRO (CINFO_FORMAT)
  #======================================
+ # CTest stuff
+ #======================================A
  
  include(CTest)
  enable_testing()
@@@ -81,7 -134,6 +134,7 @@@ if(MPIF_LOCAL_DIR
  else(MPIF_LOCAL_DIR)
    find_library(MPIF_LIBRARY NAMES mpi mpich PATHS 
        ${MPI_LIBRARY}
 +      ${MPI_LIBRARY}/../
        ${MPI_EXTRA_LIBRARY}
        /users/local/mpi64/mpich-1.2.7p1/lib 
        /usr/lib
@@@ -158,6 -210,7 +211,7 @@@ 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")
@@@ -170,13 -223,14 +224,14 @@@
    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)
@@@ -186,6 -240,6 +241,6 @@@
    add_subdirectory(source/cluster/unres/src)
    add_subdirectory(source/xdrfpdb/src)
    add_subdirectory(source/xdrfpdb/src-M)
- 
+   add_subdirectory(source/maxlik/src_CSA)
  endif(UNRES_NA_MMCE)