[DFTB-Plus-User] Unable to get "DFTD3" installed.

[Bálint Aradi]

You have two options:

* Either download dftd3 with the get_opt_external tool and set
COMPILE_DFTD3 := 1, so that the library is built when the DFTB+ is
built. This is the recommended way.

* Alternatively, if you already compiled libdftd3, you can set
COMPILE_DFTD3 := 0, and make sure, that DFTD3_INCS includes (with -I)
the folder, where the *.mod files of dftd3 can be found and DFTD3_LIBS
links the libdftd3.a from the proper location. This is not recommended,
unless you are skilled in compiling and linking codes on your own.

> # Set the compile time include and the link time library options for
> # dftd3-lib. Ignored if WITH_DFTD3 has been disabled or COMPILE_DFTD3
> enabled.
> DFTD3_INCS := -I /DFTB+/dftd3-lib-master/prg
> DFTD3_LIBS := -L /DFTB+/dftd3-lib-master/lib -ldftd3

-I needs the path, where the mod-files are.

But I really recommend, that you try to find somebody in your local
environment, who is experienced with compiling and linking codes, as
given step by step advices remotely is very difficult, while somebody
skilled could probably solve your problems in 5 minutes locally.

  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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