Re: [RFS] tortoize
Hi Maarten,
thanks a lot for your contribution.
On Wed, Nov 25, 2020 at 11:34:55AM +0100, Maarten L. Hekkelman wrote:
> I just checked in code for tortoize, an application to calculate
> ramachandran z-scores.
>
> Tortoize validates protein structure models by checking the
> Ramachandran plot and side-chain rotamer distributions. Quality
> Z-scores are given at the residue level and at the model level
> (ramachandran-z and torsions-z). Higher scores are better. To compare
> models or to describe the reliability of the model Z-scores jackknife-
> based standard deviations are also reported (ramachandran-jackknife-sd
> and torsion-jackknife-sd).
I changed the autopkgtest a bit. Please stick to the common name for
the test script run-unit-test as its in the package template. The
rationale is that we can do all package wide changes over the Debian
Med packages.
Moreover you were refering to the data file in debian/tests. While
this is perfectly possible for the autopkgtest in debci it does not
help the user who tries to run it on the local machine (as it is
explained in the README.test file). So the date file needs to be
provided as example *inside* the package - which I did.
BTW, it seems to be the same example file in libcifpp. I'd consider it
a good idea to have this file only once and set dependencies
appropriately. Apropos dependencies: Either tortoize itself has a
missing dependency or we need some Test-Depends. When I'm running the
test script in my pbuilder chroot I get:
+ pkg=tortoize
+ '[' /tmp/autopkgtest.C15beQ/autopkgtest_tmp = '' ']'
+ cp -a /usr/share/doc/tortoize/examples/1cbs.cif /tmp/autopkgtest.C15beQ/autopkgtest_tmp
+ cd /tmp/autopkgtest.C15beQ/autopkgtest_tmp
+ mkdssp 1cbs.cif 1cbs-dssp.cif
/tmp/autopkgtest.C15beQ/tree/debian/tests/run-unit-test: line 17: mkdssp: command not found
Could you please `gbp pull` and check this situation?
Kind regards
Andreas.
--
http://fam-tille.de
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