X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=CMakeLists.txt;h=de9672a26582b6e2c6b1d47fdeaf942f6c53d9e2;hb=08b96e38d3e1534b82b14c0a8c7948e490c6cebb;hp=584d1d7fe9c13f215a33596e1ac4e7918cb69b6c;hpb=44f511c990edb035789e841e987b3382d8f241d4;p=unres4.git diff --git a/CMakeLists.txt b/CMakeLists.txt index 584d1d7..de9672a 100644 --- 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 ) #=================================