[DFTB-Plus-User] dftbplus-1.3.0 stops at _dir_extlib_dftd3

[Bálint Aradi]

Dear Biswajit,

> However, the installer is unable to find the "arpack" library. I also
> could not find it so that I can provide the path in the makefile.
> Currently, it is written in the makefile as 

The ARPACK library is something you have to have on your systems (see
Prerequisites on the release notes page). Usually, you can easily
install it as a package in most Linux distributions.

But, if you do not have it, you can change

CPPOPT += -DWITH_ARPACK
LIB_ARPACK = -larpack

into

#CPPOPT += -DWITH_ARPACK
#LIB_ARPACK = -larpack

(comment them out). Then DFTB+ will compile also without the ARPACK
library, but you won't have the TD-DFTB functionality.

But, actually, unless you have strong reasons for compiling the code
yourself, you can just use the precompiled binary from the download page.

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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