sci-chemistry/shelx/shelx-20060317-r1.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/shelx/shelx-20060317-r1.ebuild,v 1.11 2012/10/19 10:29:30 jlec Exp $

inherit autotools eutils fortran-2 flag-o-matic toolchain-funcs

DESCRIPTION="Programs for crystal structure determination from single-crystal diffraction data"
HOMEPAGE="http://shelx.uni-ac.gwdg.de/SHELX/"
SRC_URI="
	${P}.tgz
	openmp? ( ${P}-mp.tgz )"

SLOT="0"
LICENSE="free-noncomm"
KEYWORDS="amd64 ppc x86"
IUSE="dosformat openmp"

S="${WORKDIR}/unix"

RESTRICT="fetch"

pkg_nofetch() {
	elog "Go to ${HOMEPAGE}"
	elog "Fill out the application form, and send it in."
	elog "Download unix.tgz, rename it to ${P}.tgz,"
	use openmp && elog "download mp.tgz, rename it to ${P}-mp.tgz,"
	elog "and place renamed tarballs in ${DISTDIR}."
}

src_unpack() {
	unpack ${A}
	epatch \
		"${FILESDIR}"/${PV}-autotool.patch \
		"${FILESDIR}"/${PV}-gfortran.patch

	if use openmp; then
		for i in shelxh shelxlv; do
			cp mp/${i}_omp.f unix/${i}.f
		done
	fi

	sed -i \
		-e "s:CIFDIR='/usr/local/bin/':CIFDIR='/usr/share/${PN}/':g" \
		"${S}"/ciftab.f

	if use dosformat; then
		sed -i \
			-e "s/KD=CHAR(32)/KD=CHAR(13)/g" \
			"${S}"/*f
	fi

	cd "${S}"
	eautoreconf
}

src_compile() {
	case $(tc-getF77) in
		*gfortran) append-flags -fopenmp ;;
		ifort) append-flags -openmp ;;
		*) ewarn "Please add any necessary OpenMP build flags to F77FLAGS." ;;
	esac

	econf \
		FC="$(tc-getFC)"
	emake || die "make failed"
}

src_install() {
	emake DESTDIR="${D}" install || die "install failed"
}

pkg_info() {
	use openmp && einfo "Set OMP_NUM_THREADS to the number of threads you want."
}

pkg_postinst() {
	pkg_info
}