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ctest dock wham ref max Cv
[unres.git]
/
CMakeLists.txt
diff --git
a/CMakeLists.txt
b/CMakeLists.txt
index
a8d5aa0
..
b060364
100644
(file)
--- a/
CMakeLists.txt
+++ b/
CMakeLists.txt
@@
-6,8
+6,8
@@
cmake_minimum_required(VERSION 2.8)
project(UNRESPACK Fortran C)
set(UNRES_MAJOR 3)
project(UNRESPACK Fortran C)
set(UNRES_MAJOR 3)
-set(UNRES_MINOR 2)
-set(UNRES_PATCH 1)
+set(UNRES_MINOR 5)
+set(UNRES_PATCH 0)
set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
#======================================
set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
#======================================
@@
-28,7
+28,7
@@
MACRO (TODAY RESULT)
ENDIF (WIN32)
ENDMACRO (TODAY)
ENDIF (WIN32)
ENDMACRO (TODAY)
-# foramt variables used in cinfo.f
+# format variables used in cinfo.f
MACRO (CINFO_FORMAT FN VN VD)
# 50 znakowi
# 73 w ca?ej linii
MACRO (CINFO_FORMAT FN VN VD)
# 50 znakowi
# 73 w ca?ej linii
@@
-116,8
+116,8
@@
set(CMAKE_INSTALL_PREFIX "${CMAKE_SOURCE_DIR}/bin" CACHE PATH "Binary install di
# Set force field
if (NOT UNRES_FF)
# Set 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
endif (NOT UNRES_FF)
# Set CSA version force field
@@
-131,7
+131,7
@@
option(UNRES_WITH_MPI "Choose whether or not to use MPI library" ON )
# Piasek cluster devel stuff
# 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_DFA "Choose whether or not to use DFA" OFF )
@@
-196,4
+196,7
@@
add_subdirectory(source/cluster/unres/src)
#add_subdirectory(source/xdrfpdb/src)
add_subdirectory(source/xdrfpdb/src-M)
#add_subdirectory(source/maxlik/src_CSA)
#add_subdirectory(source/xdrfpdb/src)
add_subdirectory(source/xdrfpdb/src-M)
#add_subdirectory(source/maxlik/src_CSA)
+
+if(NOT UNRES_DFA)
add_subdirectory(source/unres-dock)
add_subdirectory(source/unres-dock)
+endif(NOT UNRES_DFA)