| # Copyright 1999-2009 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 1.4 2009/07/07 23:04:21 flameeyes Exp $ |
| |
| inherit autotools eutils flag-o-matic fortran |
| |
| DESCRIPTION="Programs for crystal structure determination from single-crystal diffraction data" |
| HOMEPAGE="http://shelx.uni-ac.gwdg.de/SHELX/" |
| SRC_URI="${P}.tgz |
| openmp? ( ${P}-mp.tgz )" |
| RESTRICT="fetch" |
| LICENSE="free-noncomm" |
| SLOT="0" |
| KEYWORDS="~amd64 ~ppc ~x86" |
| IUSE="dosformat openmp" |
| RDEPEND="" |
| DEPEND="${RDEPEND}" |
| S="${WORKDIR}/unix" |
| |
| FORTRAN="ifc gfortran" |
| |
| 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}"/${PV}-autotool.patch |
| epatch "${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 $(tc-getF77) in |
| gfortran) append-flags -fopenmp ;; |
| ifort) append-flags -openmp ;; |
| *) ewarn "Please add any necessary OpenMP build flags to F77FLAGS." ;; |
| esac |
| |
| econf \ |
| FC="${FORTRANC}" \ |
| || die "configure failed" |
| 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 |
| } |