[DFTB-Plus-User] missing files required to test run

[Benjamin Hourahine]

Hello Michal,

Are you getting this error when running ctest, or changing to the directory and manually running the calculation?

In the first case, what happens with (from top directory):

 ./utils/get_opt_externals
 cmake -B_build .
 cd _build/
 make -j
 ctest -R extcharges

?

If the second case, are you running test_extcharges or a different binary?

Regards

Ben

       Dr. B. Hourahine, SUPA, Department of Physics,
     University of Strathclyde, John Anderson Building,
             107 Rottenrow, Glasgow G4 0NG, UK.
     +44 141 548 2325, benjamin.hourahine at strath.ac.uk

2013/4 THE Awards Entrepreneurial University of the Year
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________________________________
From: DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of Michal Husak <Michal.Husak at vscht.cz>
Sent: 18 May 2022 16:48
To: dftb-plus-user at mailman.zfn.uni-bremen.de <dftb-plus-user at mailman.zfn.uni-bremen.de>
Subject: [DFTB-Plus-User] missing files required to test run

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Hi

I had successfully recompiled DFTB+ and tested with the firscalc
example from the repos file ...

Unfortunately when I want to run the full automatic tests (ctest)
from the distributio,
I get error logs like:

cp: cannot stat 'extcharges/H-H.skf': No such file or directory

It is clear the .skf files are not a part of the source file distribution ....
Unfortunately there is no mention in the manual how to downlaod and
palce them correctly for the "ctest" execution ...

For the repos distribution iw was sufficent to run :


./scripts/get_slakos


is the something similar required to do to run the full "ctest" suite ?

Michal Husak

UCT Prague



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