X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=CMakeLists.txt;h=b519d39f83dcfe8a574b77841a2fbaf1a2c48ed2;hb=c3a9c13bf805db6b0d6a86766d735eaffb52fb9f;hp=c9c8b95fc2e1c01177734ae0004c683200ce53d3;hpb=a1da60c51c6053818199a05696c4fcee6533f828;p=unres.git

diff --git a/CMakeLists.txt b/CMakeLists.txt
index c9c8b95..b519d39 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -6,13 +6,66 @@ 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()
@@ -67,8 +120,8 @@ option(UNRES_NA_MMCE "Kompilujemy na mmmce?" OFF )
 # MPI stuff
 #=================================
 
-# Note for the future - use finde package to get MPI 
-find_package(MPI)
+# Note for the future - use find package to get MPI 
+find_package(MPI QUIET)
 
 #if(MPI_LIBRARY)
 
@@ -81,15 +134,14 @@ 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
         /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
@@ -146,6 +198,9 @@ find_package (Threads)
 #=======================================     
 
 
+add_subdirectory(source/lib/xdrf)
+
+
 if(UNRES_NA_MMCE)
 
   if(UNRES_WITH_MPI)
@@ -154,6 +209,9 @@ 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/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)
@@ -161,15 +219,26 @@ 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/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)