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To: gentoo-science@g.o
From: Honza Macháček <Hloupy.Honza@...>
Subject: Re: Fwd: [gentoo-dev] About maintaining sci-physics/abinit
Date: Mon, 19 Mar 2012 15:56:10 +0100
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    On 03/19/2012 02:48 PM, justin wrote:<br>
    <span style="white-space: pre;">&gt; Hi,<br>
      &gt;<br>
      &gt; is anybody willed to maintain abinit?<br>
      &gt;<br>
      &gt; I will help and guide you if needed.<br>
      &gt;<br>
      &gt;<br>
      &gt; Thanks justin</span><br>
    <br>
    Well, I am sort of maintaining it for myself, committing to the
    overlay. But this is about the main tree, with respect to the plan
    of leaving Abinit in the overlay only, isn't it?<br>
    <br>
    At present, I am taking particularly long time with 6.12.1, since
    the upstream developers took finally a big leap forward with the
    version of BigDFT they use, some old stuff to compile Abinit with
    external BigDFT stopped working (the libraries are organised
    somewhat differently), and I would like to go directly to the latest
    version (1.6.0, has started using pkg-config) instead of the second
    latest (1.6-tuto).<br>
    <br>
    I have cleaned up the mess after your improvements to the BigDFT
    ebuild, but I am postponing my commit of it until I have the new
    Abinit compiled with its use (my old abinit ebuilds, by the way, are
    broken by your removal of the old BigDFT versions). BigDFT has
    changed from 1.6-tuto to 1.6.0 more than I have expected, so I may
    have to try and actually understand a bit some of its routines that
    Abinit calls.<br>
    <br>
    On my way to the new ebuilds I am contemplating the case of
    libabinit. Abinit by default does not install it, it even does not
    offer that as a configure option, only its main Makefile allows
    creating the library. As far as I have found, it does not use it,
    the library is just a package of some stuff, internal otherwise,
    that might be of interest to other projects, like BigDFT. So if we
    install libabinit separately by its own ebuild, Abinit itself will
    ignore it. Abinit uses (optionally) the libraries of BigDFT (and I
    am not sure if libabinit depends on them, if selected, or not); the
    in-tree ebuild (I've forgotten it even exists) just allows Abinit to
    download BigDFT (as well as several other plug-ins) during
    compilation(!) and compile its own copies of its own selected
    versions, my ebuild uses all the options as external libraries. 
    BigDFT uses libabinit, and I have not yet tried to set it up against
    an external copy; actually I have not yet even installed such a copy
    from the Abinit sources, I am just studying the way to do so. Since
    the 1.6-tuto version (well, maybe even before, but Abinit has not,
    until recently, used anything beyond 1.2.x, and last time I tried
    patching it for 1.3.x or newer, I failed miserably) BigDFT not only
    compiles its own libabinit from its own selection of the Abinit
    sources (possibly modified, I have not looked into this), but even
    installs it. Thus Abinit using BigDFT will have to link against
    libbigdft along with libabinit, provided by BigDFT; if I manage to
    install libabinit from the Abinit package, as well as to compile
    BigDFT against it, there will at least be a circular dependency.<br>
    <br>
    Maybe the best solution would be to compile BigDFT inside Abinit,
    after all. Does anyone use BigDFT on its own? I am currently
    thinking of that but I do not plan to stop using Abinit, and as far
    as I know, nobody has yet complained of BigDFT being sci-libs/bigdft
    instead of sci-physics/bigdft.<br>
    <br>
    Sorry for too long a comment. I am afraid I have missed the right
    way of discussing overlay ebuilds. So I am silently committing my
    ebuilds from time to time, and cursing loudly (in a discreet
    seclusion) those who contribute to the same ebuilds, often breaking
    my stuff.<br>
    <br>
    With best regards<br>
    <br>
    Honza Macháček<br>
    <br>
    P. S. Only when I started my first calculations with BigDFT, and it
    occured to me I could possibly view their results in v_sim, I
    noticed there already is sci-visualization/v_sim ebuild thanks to
    Jérôme Borme, Andreas K. Huettel, yourself, and Dongxu Li, the last
    Changelog entry by Dongxu Li complaining of the Abinit installation.
    Just then I realised that Abinit, left to its own devices, install
    completely bogus pkg-config file, and does not even install the
    libraries (different from libabinit) that it advertises there. I am
    working on that currently (looks easy, I hope) but I wonder: Is the
    roundabout way I have got known there is this work to do just my
    fault, just a symptom of my moderate psychopathy, or is it a symptom
    of some communication deficiency syndrome of the overlay?<br>
    <br>
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References:
Fwd: [gentoo-dev] About maintaining sci-physics/abinit
-- justin
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