diff options
author | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 13:49:04 -0700 |
---|---|---|
committer | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 17:38:18 -0700 |
commit | 56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch) | |
tree | 3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-mathematics/diagrtb | |
download | gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.gz gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.bz2 gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.zip |
proj/gentoo: Initial commit
This commit represents a new era for Gentoo:
Storing the gentoo-x86 tree in Git, as converted from CVS.
This commit is the start of the NEW history.
Any historical data is intended to be grafted onto this point.
Creation process:
1. Take final CVS checkout snapshot
2. Remove ALL ChangeLog* files
3. Transform all Manifests to thin
4. Remove empty Manifests
5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$
5.1. Do not touch files with -kb/-ko keyword flags.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests
X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project
X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration
X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn
X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts
X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration
X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging
X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-mathematics/diagrtb')
-rw-r--r-- | sci-mathematics/diagrtb/Manifest | 1 | ||||
-rw-r--r-- | sci-mathematics/diagrtb/diagrtb-2.64.ebuild | 30 | ||||
-rw-r--r-- | sci-mathematics/diagrtb/files/CMakeLists.txt | 13 | ||||
-rw-r--r-- | sci-mathematics/diagrtb/metadata.xml | 27 |
4 files changed, 71 insertions, 0 deletions
diff --git a/sci-mathematics/diagrtb/Manifest b/sci-mathematics/diagrtb/Manifest new file mode 100644 index 000000000000..0c9f34449ed1 --- /dev/null +++ b/sci-mathematics/diagrtb/Manifest @@ -0,0 +1 @@ +DIST diagrtb-2.64.tar.gz 2429842 SHA256 bbab6ed2f9eeae1c64d0d55764908748a5e321589df81c7d87647623950b7aa0 diff --git a/sci-mathematics/diagrtb/diagrtb-2.64.ebuild b/sci-mathematics/diagrtb/diagrtb-2.64.ebuild new file mode 100644 index 000000000000..1283039df7eb --- /dev/null +++ b/sci-mathematics/diagrtb/diagrtb-2.64.ebuild @@ -0,0 +1,30 @@ +# Copyright 1999-2014 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +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 -> ${P}.tar.gz" + +LICENSE="all-rights-reserved" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="examples" +RESTRICT="mirror bindist" + +S="${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> |