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Bug 266648 - sci-physics/espresso-3.0.0 (new ebuild)
Summary: sci-physics/espresso-3.0.0 (new ebuild)
Status: RESOLVED FIXED
Alias: None
Product: Gentoo Linux
Classification: Unclassified
Component: New packages (show other bugs)
Hardware: All Linux
: High enhancement (vote)
Assignee: Christoph Junghans (RETIRED)
URL: http://www.espresso.mpg.de
Whiteboard:
Keywords: InVCS
Depends on:
Blocks:
 
Reported: 2009-04-18 14:09 UTC by Christoph Junghans (RETIRED)
Modified: 2011-04-26 21:10 UTC (History)
2 users (show)

See Also:
Package list:
Runtime testing required: ---


Attachments
ebuild for espresso-2.1.2j (espresso-2.1.2j.ebuild,2.45 KB, text/plain)
2009-04-18 14:17 UTC, Christoph Junghans (RETIRED)
Details
ebuild for espresso-2.1.2j (EAPI 2 Version) (espresso-2.1.2j.ebuild,2.54 KB, text/plain)
2009-05-01 20:05 UTC, Christoph Junghans (RETIRED)
Details
ebuild for espresso-2.1.2j (EAPI 2 Version) (espresso-2.1.2j.ebuild,2.52 KB, text/plain)
2009-05-13 20:09 UTC, Christoph Junghans (RETIRED)
Details
Screenshot (espresso.png,6.48 KB, image/png)
2011-04-21 11:17 UTC, Agostino Sarubbo
Details

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Description Christoph Junghans (RETIRED) gentoo-dev 2009-04-18 14:09:31 UTC
Extensible Simulation Package for Research on Soft matter (ESPResSo)

ESPResSo is a highly versatile software package for the scientific simulation and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research, with emphasis on charged systems.

Features:
* ESPResSo can perform Molecular Dynamics simulations of bead-spring models in various ensembles ((N,V,E), (N,V,T), and (N,p,T))
* ESPResSo contains a number of advanced algorithms, e.g.
 * DPD thermostat (for hydrodynamics)
 * P3M, MMM2D, MMM1D, ELC for electrostatic interactions
 * Lattice-Boltzmann for hydrodynamics (under development) 
 * ESPResSo is open-source and free
 * ESPResSo is parallelised, i.e. it can run on many processors in parallel
 * ESPResSo is Tcl-script-driven
 * License: GPL (GNU public license)
 * ESPResSo has been developed at the Max-Planck-Institut für Polymerforschung (MPI-P) in Mainz
Comment 1 Christoph Junghans (RETIRED) gentoo-dev 2009-04-18 14:17:16 UTC
Created attachment 188792 [details]
ebuild for espresso-2.1.2j

from upstream cvs
Comment 2 Christoph Junghans (RETIRED) gentoo-dev 2009-05-01 20:05:12 UTC
Created attachment 190064 [details]
ebuild for espresso-2.1.2j (EAPI 2 Version)

update from cvs
Comment 3 Christoph Junghans (RETIRED) gentoo-dev 2009-05-13 20:09:22 UTC
Created attachment 191203 [details]
ebuild for espresso-2.1.2j (EAPI 2 Version)

tk event bug #225999 fixed, added tk back to IUSE.
Comment 4 Justin Lecher (RETIRED) gentoo-dev 2009-05-16 11:18:45 UTC
Please stop changing bug titles in the way you are doing right now.
[science overlay] means the ebuild is allready in the science overlay. Is it?
Comment 5 Christoph Junghans (RETIRED) gentoo-dev 2009-05-16 12:54:12 UTC
No it is not, I am sorry! (Asche auf mein Haupt.)
Comment 6 Justin Lecher (RETIRED) gentoo-dev 2009-05-17 01:15:44 UTC
Same as bug 268165
Comment 7 Christoph Junghans (RETIRED) gentoo-dev 2010-03-25 21:41:41 UTC
ESPResSo announcement list espresso-announce@fias.uni-frankfurt.de
Thu Mar 18 19:31:09 CET 2010

Dear ESPResSo users,

A new public ESPResSo Release (version 2.1.5c) has been put
onto the web server. It is available via the "Download" section of

           http://www.espresso.mpg.de

Kind regards,
Torsten.

Comment 8 Christoph Junghans (RETIRED) gentoo-dev 2010-08-14 12:26:25 UTC
ESPResSo announcement list espresso-announce@fias.uni-frankfurt.de
Jul 20 2010

Dear ESPResSo users,

A new public ESPResSo Release (version 2.2.0) has been put
onto the web server. It is available via the "Download" section of

          http://www.espresso.mpg.de

This version includes: Adaptive Resolution Scheme (AdResS), Metadynamics
                       and experimental cmake support.

Detailed information about this release can be found at:

          http://espressowiki.mpip-mainz.mpg.de/espresso/release_notes.html


Kind regards,
Torsten.

-----
Bumped to EAPI 3
Comment 9 Christoph Junghans (RETIRED) gentoo-dev 2011-04-20 13:08:29 UTC
Espresso 3.0.0 was released:

http://lists.gnu.org/archive/html/espressomd-devel/2011-04/msg00004.html

Add to the tree.

@agostino: Can you please test it on amd64?
Comment 10 Agostino Sarubbo gentoo-dev 2011-04-21 11:17:45 UTC
Created attachment 270765 [details]
Screenshot

Yes, np

i don't know the usage of this program, but when i start it i see a blank window like $attachment (my is black for my theme)

With -test it compiles fine but fails with test. It does not die but block merge process.
Comment 11 Christoph Junghans (RETIRED) gentoo-dev 2011-04-21 12:13:58 UTC
(In reply to comment #10)
> Yes, np
> 
> i don't know the usage of this program, but when i start it i see a blank
> window like $attachment (my is black for my theme)
> 
> With -test it compiles fine but fails with test. It does not die but block
> merge process.
Thanks a lot for your help.

I will take another look if the automated tests work, but I guess they just take very long time.
Comment 12 Christoph Junghans (RETIRED) gentoo-dev 2011-04-26 21:10:39 UTC
(In reply to comment #10)
> With -test it compiles fine but fails with test. It does not die but block
> merge process.
Thanks, test do not work if tk is enabled.