diff options
author | Justin Lecher <jlec@gentoo.org> | 2012-03-21 13:57:18 +0000 |
---|---|---|
committer | Justin Lecher <jlec@gentoo.org> | 2012-03-21 13:57:18 +0000 |
commit | 4fb1bd44e6109b5572d2e3aa720234457b31452e (patch) | |
tree | a906de310f6596f8070a6652bfb29a3af7577e0a /sci-mathematics | |
parent | Fix metadata.xml (diff) | |
download | gentoo-2-4fb1bd44e6109b5572d2e3aa720234457b31452e.tar.gz gentoo-2-4fb1bd44e6109b5572d2e3aa720234457b31452e.tar.bz2 gentoo-2-4fb1bd44e6109b5572d2e3aa720234457b31452e.zip |
New addition, written by me
(Portage version: 2.2.0_alpha93/cvs/Linux x86_64)
Diffstat (limited to 'sci-mathematics')
-rw-r--r-- | sci-mathematics/diagrtb/ChangeLog | 10 | ||||
-rw-r--r-- | sci-mathematics/diagrtb/Manifest | 5 | ||||
-rw-r--r-- | sci-mathematics/diagrtb/diagrtb-2.64.ebuild | 29 | ||||
-rw-r--r-- | sci-mathematics/diagrtb/files/CMakeLists.txt | 13 | ||||
-rw-r--r-- | sci-mathematics/diagrtb/metadata.xml | 27 |
5 files changed, 84 insertions, 0 deletions
diff --git a/sci-mathematics/diagrtb/ChangeLog b/sci-mathematics/diagrtb/ChangeLog new file mode 100644 index 000000000000..b1a37960fceb --- /dev/null +++ b/sci-mathematics/diagrtb/ChangeLog @@ -0,0 +1,10 @@ +# ChangeLog for sci-mathematics/diagrtb +# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-mathematics/diagrtb/ChangeLog,v 1.1 2012/03/21 13:57:18 jlec Exp $ + +*diagrtb-2.64 (21 Mar 2012) + + 21 Mar 2012; Justin Lecher <jlec@gentoo.org> +diagrtb-2.64.ebuild, + +files/CMakeLists.txt, +metadata.xml: + New addition, written by me + diff --git a/sci-mathematics/diagrtb/Manifest b/sci-mathematics/diagrtb/Manifest new file mode 100644 index 000000000000..b4170e1ac3f1 --- /dev/null +++ b/sci-mathematics/diagrtb/Manifest @@ -0,0 +1,5 @@ +AUX CMakeLists.txt 364 RMD160 fe6c030e410573e784470db03372625369895020 SHA1 402dcd825f84da16b5cea2c3c060fffcc28d2521 SHA256 00f44ed116a81a0eda1252505d6c9714a708ee021ab682d32de109d41c03b7d7 +DIST diagrtb-2.64.tar.gz 2429842 RMD160 00a4d4a2d815e60d3f1fa9648c2b0df13fd91fd7 SHA1 e79ede62842541e9673db0dda2ee8ac779cb6792 SHA256 bbab6ed2f9eeae1c64d0d55764908748a5e321589df81c7d87647623950b7aa0 +EBUILD diagrtb-2.64.ebuild 660 RMD160 b007e94caf6afd7867f2d8b25db2d1bb6c763961 SHA1 7903f53a117b6333aecca948db9a7ecb1115b40e SHA256 dae162bee69bce1f86eca870a576531621f0e115ed658ff0e64f35f71bdcc76e +MISC ChangeLog 293 RMD160 7bb573129289f0a8ed2381cdb6f23bf4f70032a8 SHA1 b5022a8fefffd56a4a2fb8373bfd500c97ffe4d7 SHA256 72684b87e24645fad5050b7f3c49570afd22e73a1ae64df41bb782c6dd5b31a5 +MISC metadata.xml 1191 RMD160 28600224c43a9b3df566750b79cafcafe83e4ee2 SHA1 9e2b0857a32614cdc41ac78fe2f5264d4ed04ad2 SHA256 51a2aba2d12e3cd43c4a508b3cba3ba084bb86d43b5d94127ed7bb487f258ff6 diff --git a/sci-mathematics/diagrtb/diagrtb-2.64.ebuild b/sci-mathematics/diagrtb/diagrtb-2.64.ebuild new file mode 100644 index 000000000000..a780ae71707b --- /dev/null +++ b/sci-mathematics/diagrtb/diagrtb-2.64.ebuild @@ -0,0 +1,29 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-mathematics/diagrtb/diagrtb-2.64.ebuild,v 1.1 2012/03/21 13:57:18 jlec Exp $ + +EAPI=4 + +inherit cmake-utils fortran-2 + +DESCRIPTION="Calculation of some eigenvectors of a large real, symmetrical, matrix" +HOMEPAGE="http://ecole.modelisation.free.fr/modes.html" +SRC_URI="http://ecole.modelisation.free.fr/rtb2011.tar.gz -> ${P}.tar.gz" + +SLOT="0" +LICENSE="as-is" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="examples" + +S="${WORKDIR}"/Source_RTB2011 + +src_prepare() { + cp "${FILESDIR}"/CMakeLists.txt . || die +} + +src_configure() { + mycmakeargs=( + $(cmake-utils_use examples EXAMPLES) + ) + cmake-utils_src_configure +} diff --git a/sci-mathematics/diagrtb/files/CMakeLists.txt b/sci-mathematics/diagrtb/files/CMakeLists.txt new file mode 100644 index 000000000000..d1eb6c62f09f --- /dev/null +++ b/sci-mathematics/diagrtb/files/CMakeLists.txt @@ -0,0 +1,13 @@ +cmake_minimum_required (VERSION 2.6) +project (DIAGRTB Fortran) + +option (EXAMPLES "Instal additional example files" OFF) + +add_executable(diagrtb diagrtb.f) + +install (TARGETS diagrtb DESTINATION bin) +install (FILES diagrtb.README DESTINATION share/doc/diagrtb) + +if ( EXAMPLES ) + install (DIRECTORY ../Try_RTB2011 DESTINATION share/diagrtb/examples) +endif (EXAMPLES) diff --git a/sci-mathematics/diagrtb/metadata.xml b/sci-mathematics/diagrtb/metadata.xml new file mode 100644 index 000000000000..b2b6df7d599c --- /dev/null +++ b/sci-mathematics/diagrtb/metadata.xml @@ -0,0 +1,27 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <herd>sci-chemistry</herd> + <maintainer> + <email>jlec@gentoo.org</email> + </maintainer> + <longdescription> +A fortran program for the calculation of some eigenvectors of a large real, +symmetrical, matrix. +If the matrix was obtained, for instance, with the PDBMAT program, these +eigenvectors correspond to the low-frequency normal modes (i.e., mostly +those with a collective character) of the system. Note that in the case of +proteins, low-frequency normal modes thus obtained are found to be very close +to those obtained with standard, much more realistic (e.g., all atoms with +empirical force fields), models. + +The method used rests upon the RTB approximation (standing for +Rotations-Translations-of-Blocks). Within the frame of this approximation, +blocks of n (n=1,2,...) consecutive monomers (amino-acid residues) are +assumed to behave like rigid bodies. + +Requirements: a matrix in the "i j non-zero-ij-matrix-element" format. +A file with the coordinates of the system, in the PDB or "x y z mass +block-number" format. +</longdescription> +</pkgmetadata> |