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jlec 12/03/21 13:55:28 |
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|
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Modified: metadata.xml ChangeLog |
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Log: |
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Fix metadata.xml |
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|
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(Portage version: 2.2.0_alpha93/cvs/Linux x86_64) |
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|
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Revision Changes Path |
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1.2 sci-chemistry/pdbmat/metadata.xml |
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|
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdbmat/metadata.xml?rev=1.2&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdbmat/metadata.xml?rev=1.2&content-type=text/plain |
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diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdbmat/metadata.xml?r1=1.1&r2=1.2 |
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Index: metadata.xml |
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=================================================================== |
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RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/pdbmat/metadata.xml,v |
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retrieving revision 1.1 |
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retrieving revision 1.2 |
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diff -u -r1.1 -r1.2 |
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--- metadata.xml 21 Mar 2012 13:47:43 -0000 1.1 |
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+++ metadata.xml 21 Mar 2012 13:55:28 -0000 1.2 |
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@@ -1,34 +1,24 @@ |
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<?xml version="1.0" encoding="UTF-8"?> |
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<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> |
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-<!-- |
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-$Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdbmat/metadata.xml,v 1.1 2012/03/21 13:47:43 jlec Exp $ |
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- |
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-This is the example metadata file. |
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-The root element of this file is <pkgmetadata>. Within this element a |
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-number of subelements are allowed: herd, maintainer, and |
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-longdescription. herd is a required subelement. |
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- |
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-For a full description look at: |
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-http://www.gentoo.org/proj/en/devrel/handbook/handbook.xml?part=2&chap=4 |
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- |
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- |
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-Before committing, please remove the comments from this file. They are |
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-not relevant for general metadata.xml files. |
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---> |
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<pkgmetadata> |
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- <!-- <herd>some-herd</herd> --> |
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+ <herd>sci-chemistry</herd> |
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<maintainer> |
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- <email>@gentoo.org</email> |
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- <!-- <description>Description of the maintainership</description> --> |
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+ <email>jlec@g.o</email> |
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</maintainer> |
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- <!-- <longdescription>Long description of the package</longdescription> --> |
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- <!-- |
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-<use> |
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- <flag name='flag'>Description of how USE='flag' affects this package</flag> |
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- <flag name='userland_GNU'>Description of how USERLAND='GNU' affects this |
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- package</flag> |
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- <flag name='aspell'>Uses <pkg>app-text/aspell</pkg> for spell checking. |
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- Requires an installed dictionary from <cat>app-dicts</cat></flag> |
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-</use> |
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---> |
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+ <longdescription> |
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+A fortran program in which Tirion's model (also called the Elastic Network |
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+Model) is implemented. Within the frame of this model, atoms (particles) |
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+less than cutoff (angstroms) away from each others are linked by springs of |
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+same strength. Alternatively, a list of interacting atoms can be given to the |
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+program. |
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+Requirements: a file with the coordinates of the system, in PDB (Protein Data |
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+Bank) or "x y z mass" format. |
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+ |
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+Output: the hessian (the mass-weighted second derivatives of energy matrix), |
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+in the "i j non-zero-ij-matrix-element" format. |
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+ |
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+Diagstd, a fortran program with a standard diagonalization routine, can next |
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+be used in order to obtain the corresponding normal modes of the system. If |
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+the system is large, the RTB approximation can prove usefull (see below). |
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+</longdescription> |
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</pkgmetadata> |
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1.2 sci-chemistry/pdbmat/ChangeLog |
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdbmat/ChangeLog?rev=1.2&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdbmat/ChangeLog?rev=1.2&content-type=text/plain |
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diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdbmat/ChangeLog?r1=1.1&r2=1.2 |
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|
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Index: ChangeLog |
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=================================================================== |
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RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/pdbmat/ChangeLog,v |
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retrieving revision 1.1 |
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retrieving revision 1.2 |
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diff -u -r1.1 -r1.2 |
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--- ChangeLog 21 Mar 2012 13:47:43 -0000 1.1 |
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+++ ChangeLog 21 Mar 2012 13:55:28 -0000 1.2 |
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@@ -1,6 +1,9 @@ |
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# ChangeLog for sci-chemistry/pdbmat |
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# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 |
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-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdbmat/ChangeLog,v 1.1 2012/03/21 13:47:43 jlec Exp $ |
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+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdbmat/ChangeLog,v 1.2 2012/03/21 13:55:28 jlec Exp $ |
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+ |
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+ 21 Mar 2012; Justin Lecher <jlec@g.o> metadata.xml: |
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+ Fix metadata.xml |
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|
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*pdbmat-3.89 (21 Mar 2012) |
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