X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=CMakeLists.txt;h=d23f507c716e45e60637ea226f21f66fc136dd78;hb=refs%2Fheads%2Fdevel;hp=d7e574ff446a8a20420b857c5460f95de8ae9edc;hpb=9871d519471d253de8e09bc983cb395dc7a95173;p=unres.git

diff --git a/CMakeLists.txt b/CMakeLists.txt
index d7e574f..d23f507 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -6,8 +6,8 @@ cmake_minimum_required(VERSION 2.8)
 project(UNRESPACK Fortran C)
 
 set(UNRES_MAJOR 3)
-set(UNRES_MINOR 2)
-set(UNRES_PATCH 1)
+set(UNRES_MINOR 5)
+set(UNRES_PATCH 2)
 set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
 
 #======================================
@@ -20,15 +20,15 @@ MACRO (TODAY RESULT)
         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}})
+        EXECUTE_PROCESS(COMMAND "date" "--rfc-2822" OUTPUT_VARIABLE ${RESULT})
+        string(REGEX REPLACE "\n" " " ${RESULT} ${${RESULT}})
     ELSE (WIN32)
         MESSAGE(SEND_ERROR "date not implemented")
         SET(${RESULT} 000000)
     ENDIF (WIN32)
 ENDMACRO (TODAY)
 
-# foramt variables used in cinfo.f 
+# format variables used in cinfo.f 
 MACRO (CINFO_FORMAT FN VN VD)
 # 50 znakowi
 # 73 w ca?ej linii
@@ -116,8 +116,8 @@ set(CMAKE_INSTALL_PREFIX "${CMAKE_SOURCE_DIR}/bin" CACHE PATH "Binary install di
 
 # Set force field
 if (NOT UNRES_FF)
-  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")
+  set(UNRES_MD_FF "NEWCORR" CACHE STRING "Choose the force field, options are: GAB E0LL2Y NEWCORR" )
+  set_property(CACHE UNRES_MD_FF PROPERTY STRINGS "GAB" "E0LL2Y" "NEWCORR")
 endif (NOT UNRES_FF)
 
 # Set CSA version force field
@@ -131,9 +131,12 @@ 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_NA_MMCE "Kompilujemy na mmmce?" OFF )
 
 option(UNRES_DFA "Choose whether or not to use DFA" OFF )
+option(UNRES_5D "Choose whether or not to use HCD-5D" ON )
+option(UNRES_NO5D "Choose the old code" OFF )
+option(UNRES_SUMSLD "Choose SUMSLD (ON) or LBFGS (OFF, default)" OFF )
 
 #=================================
 # MPI stuff
@@ -175,22 +178,37 @@ find_package (Threads)
 
 add_subdirectory(source/lib/xdrf)
 
-add_subdirectory(source/unres/src_MD)
+#add_subdirectory(source/unres/src_MD)
 
 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)
+ if(UNRES_NO5D)
+#    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_MD-M-SAXS-homology)
+#    add_subdirectory(source/unres/src_CSA_DiL)
+#    add_subdirectory(source/wham/src)
+#    add_subdirectory(source/wham/src-M)
+    add_subdirectory(source/wham/src-M-SAXS-homology)
+#    add_subdirectory(source/cluster/wham/src)
+#    add_subdirectory(source/cluster/wham/src-M)
+    add_subdirectory(source/cluster/wham/src-M-SAXS-homology)
+#
+ else(UNRES_NO5D)
+# src-HCD-5D
+  add_subdirectory(source/cluster/wham/src-HCD-5D)
+  add_subdirectory(source/wham/src-HCD-5D)
+  add_subdirectory(source/unres/src-HCD-5D)
+ endif(UNRES_NO5D)
+# if(NOT UNRES_DFA)
+   add_subdirectory(source/unres-dock)
+# endif(NOT UNRES_DFA)
 endif(UNRES_WITH_MPI)
 
-add_subdirectory(source/unres/src_MIN)
+#add_subdirectory(source/unres/src_MIN)
 add_subdirectory(source/cluster/unres/src)
-add_subdirectory(source/xdrfpdb/src)
+#add_subdirectory(source/xdrfpdb/src)
 add_subdirectory(source/xdrfpdb/src-M)
-add_subdirectory(source/maxlik/src_CSA)
-add_subdirectory(source/unres-dock)
+#add_subdirectory(source/maxlik/src_CSA)
+
+