[gentoo-commits] gentoo-x86 commit in sci-chemistry/autodock_vina: metadata.xml ChangeLog autodock_vina-1.1.1.ebuild

[gentoo-commits] gentoo-x86 commit in sci-chemistry/autodock_vina: metadata.xml ChangeLog autodock_vina-1.1.1.ebuild

[Justin Lecher (jlec)]

jlec        10/05/18 11:43:46

  Added:                metadata.xml ChangeLog autodock_vina-1.1.1.ebuild
  Log:
  Initial addition of sci-chemistry/autodock_vina
  (Portage version: 2.2_rc67/cvs/Linux x86_64)

Revision  Changes    Path
1.1                  sci-chemistry/autodock_vina/metadata.xml

file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/autodock_vina/metadata.xml?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/autodock_vina/metadata.xml?rev=1.1&content-type=text/plain

Index: metadata.xml
===================================================================
<?xml version="1.0" encoding="UTF-8"?>
<pkgmetadata>
<herd>sci-chemistry</herd>
<maintainer>
  <email>jlec@gentoo.org</email>
</maintainer>
<longdescription>
AutoDock Vina is a new open-source program for drug discovery, molecular
docking and virtual screening, offering multi-core capability, high
performance and enhanced accuracy and ease of use. [1]
AutoDock Vina has been designed and implemented by Dr. Oleg Trott
in the Molecular Graphics Lab at The Scripps Research Institute.
If you used AutoDock Vina in your work, please cite:
O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy
of docking with a new scoring function, efficient optimization and
multithreading
Journal of Computational Chemistry 31 (2010) 455-461
</longdescription>
<!--
<use>
  <flag name='flag'>Description of how USE='flag' affects this package</flag>
  <flag name='userland_GNU'>Description of how USERLAND='GNU' affects this
	  package</flag>
  <flag name='aspell'>Uses <pkg>app-text/aspell</pkg> for spell checking.
	  Requires an installed dictionary from <cat>app-dicts</cat></flag>
</use>
-->
</pkgmetadata>



1.1                  sci-chemistry/autodock_vina/ChangeLog

file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/autodock_vina/ChangeLog?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/autodock_vina/ChangeLog?rev=1.1&content-type=text/plain

Index: ChangeLog
===================================================================
# ChangeLog for sci-chemistry/autodock_vina
# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/autodock_vina/ChangeLog,v 1.1 2010/05/18 11:43:46 jlec Exp $

*autodock_vina-1.1.1 (18 May 2010)

  18 May 2010; Justin Lecher <jlec@gentoo.org> +files/1.1.1-gentoo.patch,
  +autodock_vina-1.1.1.ebuild, +metadata.xml:
  Initial addition




1.1                  sci-chemistry/autodock_vina/autodock_vina-1.1.1.ebuild

file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/autodock_vina/autodock_vina-1.1.1.ebuild?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/autodock_vina/autodock_vina-1.1.1.ebuild?rev=1.1&content-type=text/plain

Index: autodock_vina-1.1.1.ebuild
===================================================================
# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/autodock_vina/autodock_vina-1.1.1.ebuild,v 1.1 2010/05/18 11:43:46 jlec Exp $

EAPI="3"

inherit eutils flag-o-matic versionator

MY_P="${PN}_$(replace_all_version_separators _)"

DESCRIPTION="Program for drug discovery, molecular docking and virtual screening"
HOMEPAGE="http://vina.scripps.edu/"
SRC_URI="http://vina.scripps.edu/download/${MY_P}.tgz"

SLOT="0"
KEYWORDS="~amd64 ~x86"
LICENSE="Apache-2.0"
IUSE="debug"

RDEPEND="dev-libs/boost"
DEPEND="${RDEPEND}"

S="${WORKDIR}"/${MY_P}/build/linux/release

src_prepare() {
	cd "${WORKDIR}"/${MY_P} && epatch "${FILESDIR}"/${PV}-gentoo.patch
}

src_compile() {
	local c_options

	use debug || c_options="-DNDEBUG"

	emake \
		BASE="${EPREFIX}"/usr/ \
		GPP="$(tc-getCXX)" \
		C_OPTIONS="${c_options}" \
		|| die
}

src_install() {
	dobin vina{,_split} || die
}