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# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.5.0110-r3.ebuild,v 1.11 2013/02/27 14:40:04 jlec Exp $
EAPI=4
inherit base fortran-2 flag-o-matic toolchain-funcs versionator
DESCRIPTION="Macromolecular crystallographic refinement program"
HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac"
SRC_URI="
${HOMEPAGE}/data/refmac_stable/refmac_${PV}.tar.gz
test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
SLOT="0"
LICENSE="ccp4"
KEYWORDS="amd64 ppc x86 ~amd64-linux ~x86-linux"
IUSE="test"
RDEPEND="
sci-chemistry/makecif
>=sci-libs/ccp4-libs-6.1.3-r7
sci-libs/mmdb
<sci-libs/monomer-db-1
virtual/blas
virtual/lapack"
DEPEND="${RDEPEND}
virtual/pkgconfig"
FORTRAN_STANDARD="77 90"
S="${WORKDIR}"
PATCHES=(
"${FILESDIR}"/${PV}-allow-dynamic-linking.patch
"${FILESDIR}"/${PV}-gcc4.6.patch
)
src_prepare() {
base_src_prepare
use test && epatch "${FILESDIR}"/$(get_version_component_range 1-2 ${PV})-test.log.patch
[[ ${FC} == *gfortran* ]] && \
append-fflags -fno-second-underscore && \
append-cflags -DGFORTRAN -DPROTOTYPE && \
append-libs -lgfortran -lgfortranbegin -lstdc++
[[ ${FC} == *ifort* ]] && \
append-libs -lstdc++
}
src_compile() {
emake \
FC=$(tc-getFC) \
CC=$(tc-getCC) \
CXX=$(tc-getCXX) \
COPTIM="${CFLAGS}" \
FOPTIM="${FFLAGS:- -O2}" \
VERSION="" \
XFFLAGS="" \
XCFLAGS="" \
LLIBCCP="-lccp4f -lccp4c -lccif $($(tc-getPKG_CONFIG) --libs mmdb)" \
LLIBLAPACK="$($(tc-getPKG_CONFIG) --libs lapack blas)" \
LLIBOTHERS="${LIBS}" \
${PN} libcheck
}
src_test() {
einfo "Starting tests ..."
source "${EPREFIX}/etc/profile.d/40ccp4.setup.sh"
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() {
exeinto /usr/libexec/ccp4/bin/
doexe ${PN}
dosym refmac /usr/libexec/ccp4/bin/refmac5
dosym ../libexec/ccp4/bin/${PN} /usr/bin/${PN}
dosym refmac /usr/bin/refmac5
dodoc refmac_keywords.pdf bugs_and_features.pdf
}
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