sci-chemistry/reduce/reduce-3.16.111118.ebuild


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# Copyright 1999-2012 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/reduce/reduce-3.16.111118.ebuild,v 1.1 2012/12/07 11:45:08 jlec Exp $

EAPI=4

inherit eutils toolchain-funcs

MY_P="${PN}.${PV}.src"

DESCRIPTION="Adds hydrogens to a Protein Data Bank (PDB) molecule structure file"
HOMEPAGE="http://kinemage.biochem.duke.edu/software/reduce.php"
SRC_URI="http://kinemage.biochem.duke.edu/downloads/software/reduce31/${MY_P}.zip"

LICENSE="richardson"
SLOT="0"
KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux"
IUSE=""

RDEPEND=""
DEPEND="${RDEPEND}
	app-arch/unzip"

S="${WORKDIR}/"

src_prepare() {
	epatch \
		"${FILESDIR}"/3.13.080428-LDFLAGS.patch \
		"${FILESDIR}"/3.14.080821-CFLAGS.patch
}

src_compile() {
	DICT_DIR="/usr/share/reduce"
	DICT_FOLD="reduce_het_dict.txt"
	DICT_FNEW="reduce_wwPDB_het_dict.txt"

	emake clean
	emake \
		CC="$(tc-getCC)" \
		CXX="$(tc-getCXX)" \
		OPT="${CXXFLAGS}" \
		DICT_HOME="${EPREFIX}/${DICT_DIR}/${DICT_FNEW}" \
		DICT_OLD="${EPREFIX}/${DICT_DIR}/${DICT_FOLD}"
}

src_install() {
	dobin "${S}"/reduce_src/reduce
	insinto ${DICT_DIR}
	doins "${S}"/${DICT_FOLD} "${S}"/${DICT_FNEW}
	dodoc README.usingReduce.txt
}