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

[Michal Husak]

Hi Ban

Thank you very much for the support !

It was the first case - the error occurred when running ctest ...
I had overlooked in the manual following instruction to do:

./utils/get_opt_externals

In other program packages (Quantum Espresso) , the download of 
required support files is a part
of the testing script  so I was expecting similar behavior ....

After the  externals download all test passed ...

Btw. as the result I have a fully functional Windows standalone 
binary version of latest DFTB plus, if
anybody is interested ... The recompilation was done by Cygwin64 
environment and  when distributed
with proper .dll it works without any Linux emulation request under 
Windows as a normal .exe file...

Contact me eventually directly (husakm at vscht.cz) for HOWTO or binary files ...

Michal Husak
UCT Prague




>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
>        2012/13 THE Awards UK University of the Year
>
>     The University of Strathclyde is a charitable body,
>          registered in Scotland, number SC015263
>
>----------
>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
>
>CAUTION: This email originated outside the University. Check before 
>clicking links or attachments.
>
>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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