Bug 266648 – sci-physics/espresso-3.0.0 (new ebuild)

• Product: Gentoo Linux
• Status: RESOLVED FIXED

[Description Christoph Junghans (RETIRED) 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) 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) 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) 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) 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) 2009-05-16 12:54:12 UTC]

No it is not, I am sorry! (Asche auf mein Haupt.)

[Comment 6 Justin Lecher (RETIRED) 2009-05-17 01:15:44 UTC]

Same as bug 268165

[Comment 7 Christoph Junghans (RETIRED) 2010-03-25 21:41:41 UTC]

ESPResSo announcement list [e-mail]
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) 2010-08-14 12:26:25 UTC]

ESPResSo announcement list [e-mail]
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) 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 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) 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) 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.