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Re: [Outreachy] predictprotein and other RostLab packages



Hi Andreas,
I managed to reproduce conditions when that strange message with pdb2pqr appears and when not:
It appears if I download, build, and call tests.
It doesn't appear if I download, *call quilt push -a*, build, call tests.
It also appears if I build project at first time, then *call quilt push -a*, and then build again.
This happens because of rules defined in debian/rules, and pMC_mult_wrap.cpp and *.saved files in pdb2pka folder.

How can be solved manually?
after call quilt push -a, cd to pdb2pka, when remove *.saved files and run command

    swig -c++ -python -o pMC_mult_wrap.cpp pMC_mult.i

The same command as in `override_dh_auto_configure` in debian/rules. When I noticed that, I run build in verbose mode.
Scons also builds all .cpp files, so, when it is run after swig regenerates pMC_mult_wrap.cpp, it uses version of that file which correspond to unpatched sources, Because in any previous run of `override_dh_auto_clean` it is reset to version which is stored in .saved. That's why I think there should be different order of commands, and this should fix that problem. At least I tried to reproduce, it doesn't appear any more. Please check my recent commit, and tell me if the error still appears.

There is also 1 problem with this package - in last test it can't load apbs package, even if it is installed. pdb2pqr doesn't fail, still some functionality which involves apbs call, is not available. For the moment I worked on that package I decided to postpone it and to fix later. Now I'll try to install apbs from sources and check where the problem is - if you don't mind.


2016-06-29 15:54 GMT+03:00 Andreas Tille <andreas@an3as.eu>:
Hi Tanya,

On Wed, Jun 29, 2016 at 01:35:38PM +0300, merlettaia wrote:
>
> 2016-06-22 11:39 GMT+03:00 Andreas Tille <andreas@an3as.eu>:
>
> > > Conservation-code,
> >
> > I realised that there is no such matrix blosum63.bla even in the source
> > package (only 62).  Similarliy with swissprot1.distribution - we just
> > have swissprot.distribution (without "1").  Do you have any explanation
> > for this?
>
> I removed this from test and added some description (describing this
> behavior) to README.test instead.

Good.  Package is uploaded now.

> > > * pdb2pqr - added 3 tests, fixed lintian warnings.
> >
> > At first I need to say that I'm very happy about your engaged work on
> > the packages your are touching.  It is a proof of deeper understanding
> > of Debian packaging.  Your changelog regarding non-test issues is
> > impressing and very appreciated.  I wonder whether you are interested in
> > staying in the Debian Med team even after this outreachy project and to
> > apply as Debian Maintained.  I would definitely support this intention.
>
> Yes, I'm interested :)

Very good.  Feel free to decide yourself if you apply right now and may
be do the first upload your own at the end of the outreachy program or
wait a bit and apply afterwards.  Its your decision how you are feeling
about it.

> > I consider it a sensible strategy to provide other tests than those that
> > are done at build time if it turns out as to complex for the moment.
> > Your tests are looking sensible and we can keep on working on even more
> > fine grained tests later if necessary.
> >
> > $ sh pdb2pka-test
> > Run pdb2pqr...
> > ...
> > This smells like a missing Dependency.  Could you please investigate
> > which package might provide this?
> >
>
> Pdb2pqr uses SWIG (http://www.swig.org/), so this error is SWIG-specific.
> For me this error appeared when one of interface files, which should be
> regenerated, was replaced by backup file (and it simply dissapeared when it
> was regenerated). I'll check this package again now and describe in next
> letter how to avoid this.

OK.

Thanks for your work on this

     Andreas.

--
http://fam-tille.de



--
Best wishes,
Tanya.

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