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})
#======================================
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
# 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
# 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" OFF )
+option(UNRES_NO5D "Choose the old code" OFF )
+option(UNRES_SUMSLD "Choose SUMSLD (ON) or LBFGS (OFF, default)" OFF )
#=================================
# MPI stuff
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)
+
+