critical bugfix NARES_UNRES interface

[unres4.git] / CMakeLists.txt

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 5016506..de9672a 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 4)
-set(UNRES_MINOR 0)
-set(UNRES_PATCH 1)
+set(UNRES_MINOR 1)
+set(UNRES_PATCH 0)
 set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
 
 #======================================
@@ -114,13 +114,14 @@ set(CMAKE_INSTALL_PREFIX "${CMAKE_SOURCE_DIR}/bin" CACHE PATH "Binary install di
 
 # Set force field
 if (NOT UNRES_FF)
-  set(UNRES_MD_FF "GAB" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
-  set_property(CACHE UNRES_MD_FF PROPERTY STRINGS "GAB" "E0LL2Y")
+  set(UNRES_MD_FF "GAB" 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)
 
 # Use of MPI library (default ON)
 option(UNRES_WITH_MPI "Choose whether or not to use MPI library" ON )
 
+option(UNRES_NEWGRAD "Choose whether or not to use NEWGRAD" OFF )
 
 
 #=================================
@@ -171,4 +172,4 @@ message("Detected ${architektura}-bit architecture")
 add_subdirectory(source/xdrf)
 add_subdirectory(source/unres)
 add_subdirectory(source/wham)
-#add_subdirectory(source/cluster)
+add_subdirectory(source/cluster)