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# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0091.ebuild,v 1.1 2010/11/06 15:39:25 jlec Exp $
EAPI="2"
inherit fortran base toolchain-funcs versionator
MY_PV="$(get_version_component_range 1-2)_source_v${PV}"
DESCRIPTION="Macromolecular crystallographic refinement program"
HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac/"
SRC_URI="${HOMEPAGE}data/refmac_experimental/${PN}${MY_PV}.tar.gz
test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
SLOT="0"
LICENSE="ccp4"
KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
IUSE="test"
RDEPEND="
sci-libs/ccp4-libs
sci-libs/mmdb
>sci-libs/monomer-db-1
virtual/blas
virtual/lapack"
DEPEND="${RDEPEND}"
S="${WORKDIR}"
PATCHES=(
"${FILESDIR}"/5.6.0089-allow-dynamic-linking.patch
)
src_prepare() {
base_src_prepare
use test && epatch "${FILESDIR}"/5.5-test.log.patch
}
src_compile() {
emake \
FC=$(tc-getFC) \
CC=$(tc-getCC) \
CXX=$(tc-getCXX) \
COPTIM="${CFLAGS}" \
FOPTIM="${FFLAGS:- -O2}" \
VERSION="" \
XFFLAGS="-fno-second-underscore" \
LLIBCCP="-lccp4f -lccp4c -lccif -lmmdb -lstdc++" \
LLIBLAPACK="$(pkg-config --libs lapack blas)" \
|| die
}
src_test() {
einfo "Starting tests ..."
export PATH="${WORKDIR}/test-framework/scripts:${S}:${PATH}"
export CCP4_TEST="${WORKDIR}"/test-framework
export CCP4_SCR="${T}"
ln -sf refmac "${S}"/refmac5
sed '/^ANISOU/d' -i ${CCP4_TEST}/data/pdb/1vr7.pdb
ccp4-run-thorough-tests -v test_refmac5 || die
}
src_install() {
for i in refmac libcheck FreeTwin header2matr; do
exeinto /usr/libexec/ccp4/bin/
doexe ${i} || die
dosym ../libexec/ccp4/bin/${i} /usr/bin/${i}
done
dosym refmac /usr/bin/refmac5 || die
}
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