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Bug 325105 - New ebuild: Octopus (scientific program aimed at the ab initio virtual experimentation)
Summary: New ebuild: Octopus (scientific program aimed at the ab initio virtual experi...
Status: CONFIRMED
Alias: None
Product: Gentoo Linux
Classification: Unclassified
Component: New packages (show other bugs)
Hardware: All Linux
: High enhancement (vote)
Assignee: Default Assignee for New Packages
URL:
Whiteboard:
Keywords: EBUILD
Depends on:
Blocks:
 
Reported: 2010-06-22 20:55 UTC by Nicolas Bigaouette
Modified: 2011-04-11 12:22 UTC (History)
1 user (show)

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

Attachments
Ebuild for Octopus v3.2.0 (octopus-3.2.0.ebuild,1.14 KB, text/plain)
2010-06-22 20:57 UTC, Nicolas Bigaouette 		Details
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Description Nicolas Bigaouette 2010-06-22 20:55:19 UTC 
Here is a new ebuild for Octopus, a "scientific program aimed at the ab initio virtual experimentation".
http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page
I included optional dependency for MPI, NetCDF and static compilation.

Reproducible: Always
Comment 1 Nicolas Bigaouette 2010-06-22 20:57:08 UTC 
Created attachment 236277 [details]
Ebuild for Octopus v3.2.0
Comment 2 Kacper Kowalik (Xarthisius) (RETIRED) gentoo-dev 2010-06-22 21:37:48 UTC 
Thank you for your ebuild. I'll try to put it science overlay if the time permits.

Note:
Lot's of bundled libs (sci-libs/metis-4.0 in particular)
Comment 3 Dongxu Li 2011-04-11 12:22:28 UTC 
(In reply to comment #1)
> Created attachment 236277 [details]
> Ebuild for Octopus v3.2.0

I tested the ebuild, and found there are file conflicts between the libxc within octopus and the sci-libs/libxc in sci-overlay.

Upstream may consider allowing libxc from an external package.