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jlec 12/03/21 13:57:18 |
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|
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Added: metadata.xml ChangeLog diagrtb-2.64.ebuild Manifest |
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Log: |
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New addition, written by me |
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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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1.1 sci-mathematics/diagrtb/metadata.xml |
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|
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-mathematics/diagrtb/metadata.xml?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-mathematics/diagrtb/metadata.xml?rev=1.1&content-type=text/plain |
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|
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Index: metadata.xml |
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=================================================================== |
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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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<pkgmetadata> |
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<herd>sci-chemistry</herd> |
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<maintainer> |
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<email>jlec@g.o</email> |
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</maintainer> |
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<longdescription> |
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A fortran program for the calculation of some eigenvectors of a large real, |
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symmetrical, matrix. |
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If the matrix was obtained, for instance, with the PDBMAT program, these |
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eigenvectors correspond to the low-frequency normal modes (i.e., mostly |
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those with a collective character) of the system. Note that in the case of |
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proteins, low-frequency normal modes thus obtained are found to be very close |
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to those obtained with standard, much more realistic (e.g., all atoms with |
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empirical force fields), models. |
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|
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The method used rests upon the RTB approximation (standing for |
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Rotations-Translations-of-Blocks). Within the frame of this approximation, |
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blocks of n (n=1,2,...) consecutive monomers (amino-acid residues) are |
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assumed to behave like rigid bodies. |
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|
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Requirements: a matrix in the "i j non-zero-ij-matrix-element" format. |
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A file with the coordinates of the system, in the PDB or "x y z mass |
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block-number" format. |
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</longdescription> |
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</pkgmetadata> |
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|
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|
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|
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1.1 sci-mathematics/diagrtb/ChangeLog |
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|
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-mathematics/diagrtb/ChangeLog?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-mathematics/diagrtb/ChangeLog?rev=1.1&content-type=text/plain |
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|
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Index: ChangeLog |
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=================================================================== |
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# ChangeLog for sci-mathematics/diagrtb |
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# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 |
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# $Header: /var/cvsroot/gentoo-x86/sci-mathematics/diagrtb/ChangeLog,v 1.1 2012/03/21 13:57:18 jlec Exp $ |
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|
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*diagrtb-2.64 (21 Mar 2012) |
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|
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21 Mar 2012; Justin Lecher <jlec@g.o> +diagrtb-2.64.ebuild, |
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+files/CMakeLists.txt, +metadata.xml: |
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New addition, written by me |
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|
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|
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|
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|
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1.1 sci-mathematics/diagrtb/diagrtb-2.64.ebuild |
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|
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-mathematics/diagrtb/diagrtb-2.64.ebuild?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-mathematics/diagrtb/diagrtb-2.64.ebuild?rev=1.1&content-type=text/plain |
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|
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Index: diagrtb-2.64.ebuild |
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=================================================================== |
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# Copyright 1999-2012 Gentoo Foundation |
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# Distributed under the terms of the GNU General Public License v2 |
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# $Header: /var/cvsroot/gentoo-x86/sci-mathematics/diagrtb/diagrtb-2.64.ebuild,v 1.1 2012/03/21 13:57:18 jlec Exp $ |
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|
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EAPI=4 |
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|
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inherit cmake-utils fortran-2 |
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|
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DESCRIPTION="Calculation of some eigenvectors of a large real, symmetrical, matrix" |
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HOMEPAGE="http://ecole.modelisation.free.fr/modes.html" |
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SRC_URI="http://ecole.modelisation.free.fr/rtb2011.tar.gz -> ${P}.tar.gz" |
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|
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SLOT="0" |
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LICENSE="as-is" |
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KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" |
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IUSE="examples" |
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|
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S="${WORKDIR}"/Source_RTB2011 |
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|
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src_prepare() { |
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cp "${FILESDIR}"/CMakeLists.txt . || die |
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} |
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|
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src_configure() { |
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mycmakeargs=( |
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$(cmake-utils_use examples EXAMPLES) |
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) |
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cmake-utils_src_configure |
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} |
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|
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|
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|
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1.1 sci-mathematics/diagrtb/Manifest |
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|
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file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-mathematics/diagrtb/Manifest?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-mathematics/diagrtb/Manifest?rev=1.1&content-type=text/plain |
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|
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Index: Manifest |
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=================================================================== |
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AUX CMakeLists.txt 364 RMD160 fe6c030e410573e784470db03372625369895020 SHA1 402dcd825f84da16b5cea2c3c060fffcc28d2521 SHA256 00f44ed116a81a0eda1252505d6c9714a708ee021ab682d32de109d41c03b7d7 |
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DIST diagrtb-2.64.tar.gz 2429842 RMD160 00a4d4a2d815e60d3f1fa9648c2b0df13fd91fd7 SHA1 e79ede62842541e9673db0dda2ee8ac779cb6792 SHA256 bbab6ed2f9eeae1c64d0d55764908748a5e321589df81c7d87647623950b7aa0 |
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EBUILD diagrtb-2.64.ebuild 660 RMD160 b007e94caf6afd7867f2d8b25db2d1bb6c763961 SHA1 7903f53a117b6333aecca948db9a7ecb1115b40e SHA256 dae162bee69bce1f86eca870a576531621f0e115ed658ff0e64f35f71bdcc76e |
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MISC ChangeLog 293 RMD160 7bb573129289f0a8ed2381cdb6f23bf4f70032a8 SHA1 b5022a8fefffd56a4a2fb8373bfd500c97ffe4d7 SHA256 72684b87e24645fad5050b7f3c49570afd22e73a1ae64df41bb782c6dd5b31a5 |
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MISC metadata.xml 1191 RMD160 28600224c43a9b3df566750b79cafcafe83e4ee2 SHA1 9e2b0857a32614cdc41ac78fe2f5264d4ed04ad2 SHA256 51a2aba2d12e3cd43c4a508b3cba3ba084bb86d43b5d94127ed7bb487f258ff6 |
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