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