X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=CMakeLists.txt;h=87cffd93af3c204d7a9603ea047718fea476f54d;hb=1121264f65fb40d821cd4a9bcb299c3fc4d06d33;hp=b8b63fefe9d03ff9fd0ddd251b8d36a72399c706;hpb=1b470325cddfb529c605552dd37cb0e4b0dc0e2b;p=unres.git

diff --git a/CMakeLists.txt b/CMakeLists.txt
index b8b63fe..87cffd9 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -6,14 +6,67 @@ cmake_minimum_required(VERSION 2.8)
 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})
- 
+
 #======================================
-# 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()
  
@@ -67,53 +120,15 @@ 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 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
@@ -157,8 +172,9 @@ 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/xdrfpdb/src)
-      add_subdirectory(source/xdrfpdb/src-M)
+      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")
   else()
     add_subdirectory(source/unres/src_MD)
@@ -166,18 +182,26 @@ if(UNRES_NA_MMCE)
     # 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)
+  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/xdrfpdb/src)
-    add_subdirectory(source/xdrfpdb/src-M)
-	
+    add_subdirectory(source/unres/src_CSA_DiL)
+    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)
+  add_subdirectory(source/maxlik/src_CSA)
 endif(UNRES_NA_MMCE)