unres

[unres.git] / CMakeLists.txt

diff --git a/CMakeLists.txt b/CMakeLists.txt
index e9cf242..f9d9491 100644 (file)
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -9,11 +9,64 @@ 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()
  
@@ -79,8 +132,10 @@ 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 mpi PATHS 
+  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
         /usr/local/lib
@@ -116,7 +171,7 @@ endif(MPIF_FOUND)
 
 #======================================
 # Detect system architecture
-#
+#=======================================
 
 if( CMAKE_SIZEOF_VOID_P EQUAL 4 )
   set(architektura "32")
@@ -126,6 +181,14 @@ 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
@@ -137,14 +200,21 @@ message("Detected ${architektura}-bit architecture")
 #=======================================     
 
 
-if(UNRES_NA_MMCE EQUAL "ON")
+add_subdirectory(source/lib/xdrf)
 
-  if(UNRES_WITH_MPI EQUAL "ON")
+
+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_DFA)
       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")
   else()
     add_subdirectory(source/unres/src_MD)
@@ -152,13 +222,27 @@ if(UNRES_NA_MMCE EQUAL "ON")
     # 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)
-  add_subdirectory(source/unres/src_MD-M)
+  if(UNRES_WITH_MPI)
+    add_subdirectory(source/unres/src_MD-M)
+    add_subdirectory(source/unres/src_MD_DFA)
+    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)
+    add_subdirectory(source/cluster/wham/src-M)
+  endif(UNRES_WITH_MPI)
   add_subdirectory(source/unres/src_MIN)
-  add_subdirectory(source/unres/src_CSA)
-
-endif(UNRES_NA_MMCE EQUAL "ON")
+  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)