How to create a new project in Yambo

From The Yambo Project
Jump to: navigation, search

If you are about to start a new project with Yambo, you will be interested in knowing how to move the first steps in the code:

1) Edit the file config/mk/targets.mk

In the following np stands for your new project. NP_PROJ = yambo_np ypp_np

Choose two letters which will inequivocally identify your project. Example: "df" stands for "defects". DF_PROJ = yambo_df ypp_df

2) Edit the file config/mk/actions/compile_yambo.mk and config/mk/actions/compile_ypp.mk by adding the new executables:

yambo_df: ext-libs
         @+LIBS2DO="$(INT_LIBS)"; DIR2GO="lib" ; VPATH="$(topdir)/lib" ; $(mk_internal_lib)
         @+LIBS2DO="$(YLIBDRIVER)"; NAME="yambo_df_driver_"; DIR2GO="lib/yambo/driver/src"; VPATH="$(topdir)/lib/yambo/driver/src";\
         ADF="-D_DF -D_SC -D_yambo"; $(mk_external_yambo_lib)
         @+LIBS2DO="$(PJ_DFLIBS)"; XPATH="src"; VPATH="$(topdir)/src"; ADF="-D_DF -D_SC"; $(mk_src)
         @+X2DO="yambo_df"; XPATH="driver"; VPATH="$(topdir)/driver"; XLIBS="$(PJ_DFLIBS_LD)" ; DRILIBS="$(YLIBDRIVER_LD)"; \
         ADF="-D_DF -D_SC"; $(mk_yambo)


ypp_df: ext-libs
       @+LIBS2DO="$(INT_LIBS)"; DIR2GO="lib" ; VPATH="$(topdir)/lib" ; $(mk_internal_lib)
       @+LIBS2DO="$(YLIBDRIVER)"; NAME="ypp_df_driver_"; DIR2GO="lib/yambo/driver/src"; VPATH="$(topdir)/lib/yambo/driver/src"; \
       ADF="-D_DF -D_SC -D_ypp"; $(mk_external_yambo_lib)
       @+LIBS2DO="$(YPPDF_MAIN_LIBS)"; XPATH="src"; VPATH="$(topdir)/src"; ADF="-D_DF -D_SC "; $(mk_src)
       @+LIBS2DO="$(YPP_LIBS)"; XPATH="ypp"; VPATH="$(topdir)/ypp"; ADF="-D_YPP_DF -D_YPP_SC"; $(mk_ypp_src)
       @+X2DO="ypp_df"; XPATH="driver"; VPATH="$(topdir)/driver"; XLIBS="$(YPPDF_MAIN_LIBS_LD)"; \
       X_ypp_LIBS="$(YPP_LIBS_LD)"; DRILIBS="$(YLIBDRIVER_LD)"; ADF="-D_YPP_DF -D_YPP_SC"; $(mk_ypp)


3) Edit the file config/mk/libraries.mk by adding the libraries you need for your project, for example in this example we will use the main libs, plus "hamiltonian" and "sc":

PJ_DFLIBS    = $(MAIN_LIBS) collisions hamiltonian sc
PJ_DFLIBS_LD = $(MAIN_LIBS_LD) hamiltonian collisions sc

in the same you set also the libraries for ypp:

YPPDF_MAIN_LIBS    = $(YPP_MAIN_LIBS) collisions hamiltonian sc
YPPDF_MAIN_LIBS_LD = $(YPP_MAIN_LIBS_LD) collisions hamiltonian sc

4) edit the file driver/.objects

objs = yambo.o
#if defined _ypp || _ypp_ph || _ypp_rt || _ypp_surf || _ypp_magnetic || _ypp_sc || _ypp_nl || _ypp_df
objs = ypp.o
#endif

5) Edit the file: lib/yambo/driver/src/main/tool_init.c

   #if defined _YPP_DF || defined _DF
   pj="df";
   #endif