Bug 220907 – sci-chemistry/aria NEW ebuild

• Status: RESOLVED FIXED
• Product: Gentoo Linux

[Description Justin Lecher (RETIRED) 2008-05-08 11:52:41 UTC]

This ebuild installs aria.

QUOTE
Our computer program ARIA (Ambiguous Restraints for Iterative Assignment) is a software for automated NOE assignment and NMR structure calculation. It speeds up and automatizes the assignment process through the use of an iterative structure calculation scheme. Additionally, a refinement in explicit water improves the  quality of the calculated structures, validation tests help spectroscopists to judge the quality of the final structures, and the support of the CCPN data model simplifies the exchange of information with other NMR software packages.
\QUOTE

It is manly an interface to speed up several things in NMR structure calculation tasks.

It is on a python code base.

[Comment 1 Justin Lecher (RETIRED) 2008-05-08 11:53:25 UTC]

Created attachment 152463 [details]
aria-2.2.ebuild

[Comment 2 Justin Lecher (RETIRED) 2008-05-08 11:53:46 UTC]

Created attachment 152465 [details]
sa_ls_cool2.patch

[Comment 3 Justin Lecher (RETIRED) 2008-05-13 10:08:25 UTC]

Created attachment 153029 [details]
aria-2.2.ebuild

Typo corrected;
src_test fixed;

[Comment 4 Donnie Berkholz (RETIRED) 2008-08-05 17:51:56 UTC]

As per https://bugs.gentoo.org/show_bug.cgi?id=220905#c7 -- upstream issues with changing sources, so WONTFIX.

[Comment 5 Justin Lecher (RETIRED) 2010-02-06 21:27:28 UTC]

I will add it

[Comment 6 Justin Lecher (RETIRED) 2010-02-06 21:28:19 UTC]

Commited