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# Copyright 1999-2012 Gentoo Foundation
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# Distributed under the terms of the GNU General Public License v2
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# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.5.0110-r3.ebuild,v 1.6 2012/10/19 10:25:51 jlec Exp $
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EAPI=4
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inherit base fortran-2 flag-o-matic toolchain-funcs versionator
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DESCRIPTION="Macromolecular crystallographic refinement program"
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HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac"
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SRC_URI="
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${HOMEPAGE}/data/refmac_stable/refmac_${PV}.tar.gz
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test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
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SLOT="0"
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LICENSE="ccp4"
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KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux"
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IUSE="test"
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RDEPEND="
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sci-chemistry/makecif
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>=sci-libs/ccp4-libs-6.1.3-r7
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sci-libs/mmdb
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<sci-libs/monomer-db-1
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virtual/blas
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virtual/lapack"
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DEPEND="${RDEPEND}"
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FORTRAN_STANDARD="77 90"
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S="${WORKDIR}"
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PATCHES=(
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"${FILESDIR}"/${PV}-allow-dynamic-linking.patch
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"${FILESDIR}"/${PV}-gcc4.6.patch
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)
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src_prepare() {
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base_src_prepare
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use test && epatch "${FILESDIR}"/$(get_version_component_range 1-2 ${PV})-test.log.patch
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[[ ${FC} == *gfortran* ]] && \
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append-fflags -fno-second-underscore && \
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append-cflags -DGFORTRAN -DPROTOTYPE && \
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append-libs -lgfortran -lgfortranbegin -lstdc++
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[[ ${FC} == *ifort* ]] && \
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append-libs -lstdc++
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}
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src_compile() {
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emake \
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FC=$(tc-getFC) \
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CC=$(tc-getCC) \
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CXX=$(tc-getCXX) \
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COPTIM="${CFLAGS}" \
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FOPTIM="${FFLAGS:- -O2}" \
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VERSION="" \
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XFFLAGS="" \
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XCFLAGS="" \
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LLIBCCP="-lccp4f -lccp4c -lccif $(pkg-config --libs mmdb)" \
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LLIBLAPACK="$(pkg-config --libs lapack blas)" \
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LLIBOTHERS="${LIBS}" \
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${PN} libcheck
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}
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src_test() {
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einfo "Starting tests ..."
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source "${EPREFIX}/etc/profile.d/40ccp4.setup.sh"
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export PATH="${WORKDIR}/test-framework/scripts:${S}:${PATH}"
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export CCP4_TEST="${WORKDIR}"/test-framework
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export CCP4_SCR="${T}"
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ln -sf refmac "${S}"/refmac5
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sed '/^ANISOU/d' -i ${CCP4_TEST}/data/pdb/1vr7.pdb
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ccp4-run-thorough-tests -v test_refmac5 || die
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}
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src_install() {
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exeinto /usr/libexec/ccp4/bin/
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doexe ${PN}
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dosym refmac /usr/libexec/ccp4/bin/refmac5
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dosym ../libexec/ccp4/bin/${PN} /usr/bin/${PN}
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dosym refmac /usr/bin/refmac5
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dodoc refmac_keywords.pdf bugs_and_features.pdf
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}
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