[Debichem-devel] p4VASP packaging

[Graham Inggs]

Hi Michael

Since your last email I've made many changes to my p4vasp packaging [1] and
I think it is ready for review and hopefully for upload too.

On 16 March 2014 14:18, Michael Banck <mbanck at debian.org> wrote:

> I concur about shipping it as one application for now, this also lets us
> ignore what to do about the forked odpdom for now.
>

I went ahead and prepared it as a single binary package.


> You talk about API documentation above, but I don't see any in the .deb
> I built, did that get stripped again or is this some in-app feature with
> a non-standard location?
>

I ended up repacking the source tarball, excluding the API documentation
and a couple of other files we don't need (trimming it down to 1/10 of its
original size).
If we ever decide to ship the API documentation in future, we would build
it using epydoc and doxygen as upstream do anyway.


> If this is a self-contained application package, it might be useful not
> to ship the API documentation anyway, until there are users of it and/or
> the library/API is split off into its own package.  But that's your
> call.
>
> Same goes for the header files.  I see you remove the .a static
> libraries, but then the header files serve no purpose either, because
> you can include them, but not link anything in.
>

API documentation and header files are no longer included.


> I am not sure about the location of _cp4vasp.so.  This is a python
> extension module in C, not a C library really, I guess.  Currently you
> put it in /usr/lib, but I would say it should be moved to
> /usr/lib/python$(PYVERSION)/dist-packages or so, see e.g. the top of
> https://packages.debian.org/sid/amd64/python-bzrlib/filelist (the ones
> in pyshared are symbolic links to ../../python$(PYVERSION)/dist-packages
> AFAICT).  See also the python-avogadro package as an example.
>

I moved _cp4vasp.so as you suggested.


> 1. Too bad there are no example files shipped, but with those non-free
> codes, I guess it might be difficult to ship them anyway.  Maybe input
> files would be fine, you could maybe talk to upstream about this.
>

There is a nice tutorial [2] on upstream's website, as well as an example
[3] for download.


> 2. As I don't have access to VASP, I couldn't really test it out.  What
> I noted is that the sqlite database setup is not very straight-forward -
> ...
> This is likely an upstream problem, but I thought I'd mention it here.
>

I did mention this to upstream and apparently a rewrite of the database and
applet layer is planned for the migration to python3.

Regards
Graham

[1] http://anonscm.debian.org/gitweb/?p=debichem/packages/p4vasp.git
[2]
http://www.p4vasp.at/index.php/documentation/7-exploring-density-of-states-dos-and-band-structure
[3] http://www.p4vasp.at/index.php/downloads/summary/1-examples/2-ldos
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