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})
#======================================
# 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 )
#=================================
#=======================================
+# order is important
+# the most independent ones should go first
+
add_subdirectory(source/xdrf)
add_subdirectory(source/unres)
-
+add_subdirectory(source/wham)
+add_subdirectory(source/cluster)