241 lines
6.7 KiB
Bash
241 lines
6.7 KiB
Bash
# 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/cns/cns-1.2.1-r7.ebuild,v 1.7 2012/11/27 13:17:37 jlec Exp $
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EAPI=3
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inherit eutils fortran-2 toolchain-funcs versionator flag-o-matic
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MY_PN="${PN}_solve"
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MY_PV="$(delete_version_separator 2)"
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MY_P="${MY_PN}_${MY_PV}"
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DESCRIPTION="Crystallography and NMR System"
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HOMEPAGE="http://cns.csb.yale.edu/"
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SRC_URI="
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${MY_P}_all-mp.tar.gz
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aria? ( aria2.3.2.tar.gz )"
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SLOT="0"
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LICENSE="cns"
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KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
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IUSE="aria openmp"
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RDEPEND="app-shells/tcsh"
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DEPEND="${RDEPEND}"
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FORTRAN_NEED_OPENMP=1
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S="${WORKDIR}/${MY_P}"
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RESTRICT="fetch test"
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pkg_nofetch() {
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elog "Fill out the form at http://cns.csb.yale.edu/cns_request/"
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use aria && elog "and http://aria.pasteur.fr/"
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elog "and place these files:"
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elog ${A}
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elog "in ${DISTDIR}."
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}
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get_fcomp() {
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case $(tc-getFC) in
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*gfortran* )
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FCOMP="gfortran" ;;
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ifort )
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FCOMP="ifc" ;;
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* )
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FCOMP=$(tc-getFC) ;;
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esac
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}
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pkg_setup() {
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fortran-2_pkg_setup
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get_fcomp
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}
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get_bitness() {
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echo > "${T}"/test.c
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$(tc-getCC) ${CFLAGS} -c "${T}"/test.c -o "${T}"/test.o
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case $(file "${T}"/test.o) in
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*64-bit*|*ppc64*|*x86_64*) export _bitness="64";;
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*32-bit*|*ppc*|*i386*) export _bitness="32";;
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*) die "Failed to detect whether your arch is 64bits or 32bits, disable distcc if you're using it, please";;
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esac
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}
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src_prepare() {
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epatch \
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"${FILESDIR}"/${PV}-gentoo.patch \
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"${FILESDIR}"/${PV}-parallel.patch
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get_bitness
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if use aria; then
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pushd "${WORKDIR}"/aria* >& /dev/null
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# Update the cns sources in aria for version 1.2.1
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epatch "${FILESDIR}"/1.2.1-aria2.3.patch
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# Update the code with aria specific things
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cp -rf cns/src/* "${S}"/source/
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popd >& /dev/null
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fi
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# the code uses Intel-compiler-specific directives
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if [[ $(tc-getFC) =~ gfortran ]]; then
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epatch "${FILESDIR}"/${PV}-allow-gcc-openmp.patch
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use openmp && \
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append-flags -fopenmp && append-ldflags -fopenmp
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COMP="gfortran"
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[[ ${_bitness} == 64 ]] && \
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append-fflags -fdefault-integer-8
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elif [[ $(tc-getFC) == if* ]]; then
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epatch "${FILESDIR}"/${PV}-ifort.patch
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use openmp && \
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append-flags -openmp && append-ldflags -openmp
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COMP="ifort"
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[[ ${_bitness} == 64 ]] && append-fflags -i8
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fi
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[[ ${_bitness} == 64 ]] && \
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append-cflags "-DINTEGER='long long int'"
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# Set up location for the build directory
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# Uses obsolete `sort` syntax, so we set _POSIX2_VERSION
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cp "${FILESDIR}"/cns_solve_env_sh "${T}"/
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sed -i \
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-e "s:_CNSsolve_location_:${S}:g" \
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-e "17 s:\(.*\):\1\nsetenv _POSIX2_VERSION 199209:g" \
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"${S}"/cns_solve_env
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sed -i \
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-e "s:_CNSsolve_location_:${S}:g" \
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-e "17 s:\(.*\):\1\nexport _POSIX2_VERSION; _POSIX2_VERSION=199209:g" \
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"${T}"/cns_solve_env_sh
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einfo "Fixing shebangs..."
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find "${S}" -type f \
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-exec sed "s:/bin/csh:${EPREFIX}/bin/csh:g" -i '{}' \; || die
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}
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src_compile() {
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local GLOBALS
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local MALIGN
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if [[ $(tc-getFC) =~ g77 ]]; then
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GLOBALS="-fno-globals"
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MALIGN='\$(CNS_MALIGN_I86)'
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fi
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# Set up the compiler to use
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pushd instlib/machine/unsupported/g77-unix 2>/dev/null
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ln -s Makefile.header Makefile.header.${FCOMP} || die
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popd 2>/dev/null
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# make install really means build, since it's expected to be used in-place
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# -j1 doesn't mean we do no respect MAKEOPTS!
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emake -j1 \
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CC="$(tc-getCC)" \
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F77=$(tc-getFC) \
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LD=$(tc-getFC) \
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CCFLAGS="${CFLAGS} -DCNS_ARCH_TYPE_\$(CNS_ARCH_TYPE) \$(EXT_CCFLAGS)" \
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LDFLAGS="${LDFLAGS}" \
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F77OPT="${FCFLAGS} ${MALIGN}" \
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F77STD="${GLOBALS}" \
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OMPLIB="${OMPLIB}" \
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compiler="${COMP}" \
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install \
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|| die "emake failed"
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}
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src_test() {
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# We need to force on g77 manually, because we can't get aliases working
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# when we source in a -c
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einfo "Running tests ..."
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csh -c \
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"export CNS_G77=ON; source ${S}/cns_solve_env; make run_tests" \
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|| die "tests failed"
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einfo "Displaying test results ..."
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cat "${S}"/*_g77/test/*.diff-test
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}
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src_install() {
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# Install to locations resembling FHS
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sed -i \
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-e "s:${S}:usr:g" \
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-e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_ROOT ${EPREFIX}/usr:g" \
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-e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_DATA \$CNS_ROOT/share/cns:g" \
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-e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_DOC \$CNS_ROOT/share/doc/${PF}:g" \
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-e "s:CNS_LIB \$CNS_SOLVE/libraries:CNS_LIB \$CNS_DATA/libraries:g" \
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-e "s:CNS_MODULE \$CNS_SOLVE/modules:CNS_MODULE \$CNS_DATA/modules:g" \
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-e "s:CNS_HELPLIB \$CNS_SOLVE/helplib:CNS_HELPLIB \$CNS_DATA/helplib:g" \
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-e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \
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-e "/^g77on/d" \
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"${S}"/cns_solve_env
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# I don't entirely understand why the sh version requires a leading /
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# for CNS_SOLVE and CNS_ROOT, but it does
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sed -i \
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-e "s:${S}:/usr:g" \
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-e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_ROOT=${EPREFIX}/usr:g" \
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-e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_DATA=\$CNS_ROOT/share/cns:g" \
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-e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_DOC=\$CNS_ROOT/share/doc/${PF}:g" \
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-e "s:CNS_LIB=\$CNS_SOLVE/libraries:CNS_LIB=\$CNS_DATA/libraries:g" \
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-e "s:CNS_MODULE=\$CNS_SOLVE/modules:CNS_MODULE=\$CNS_DATA/modules:g" \
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-e "s:CNS_HELPLIB=\$CNS_SOLVE/helplib:CNS_HELPLIB=\$CNS_DATA/helplib:g" \
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-e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \
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-e "/^g77on/d" \
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-e "/^g77off/d" \
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"${T}"/cns_solve_env_sh
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# Get rid of setup stuff we don't need in the installed script
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sed -i \
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-e "83,$ d" \
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-e "37,46 d" \
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"${S}"/cns_solve_env
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sed -i \
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-e "84,$ d" \
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-e "39,50 d" \
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"${T}"/cns_solve_env_sh
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newbin "${S}"/*linux*/bin/cns_solve* cns_solve \
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|| die "install cns_solve failed"
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# Can be run by either cns_solve or cns
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dosym cns_solve /usr/bin/cns
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# Don't want to install this
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rm -f "${S}"/*linux*/utils/Makefile
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dobin "${S}"/*linux*/utils/* || die "install utils failed"
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sed -i \
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-e "s:\$CNS_SOLVE/doc/:\$CNS_SOLVE/share/doc/${PF}/:g" \
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"${S}"/bin/cns_web || die
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dobin "${S}"/bin/cns_{edit,header,transfer,web} || die "install bin failed"
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insinto /usr/share/cns
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doins -r "${S}"/libraries "${S}"/modules "${S}"/helplib || die
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doins "${S}"/bin/cns_info || die
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insinto /etc/profile.d
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newins "${S}"/cns_solve_env cns_solve_env.csh || die
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newins "${T}"/cns_solve_env_sh cns_solve_env.sh || die
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dohtml \
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-A iq,cgi,csh,cv,def,fm,gif,hkl,inp,jpeg,lib,link,list,mask,mtf,param,pdb,pdf,pl,ps,sc,sca,sdb,seq,tbl,top \
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-f all_cns_info_template,omac,def \
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-r doc/html/* || die
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# Conflits with app-text/dos2unix
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rm -f "${D}"/usr/bin/dos2unix
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}
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pkg_info() {
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if use openmp; then
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elog "Set OMP_NUM_THREADS to the number of threads you want."
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elog "If you get segfaults on large structures, set the GOMP_STACKSIZE"
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elog "variable if using gcc (16384 should be good)."
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fi
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}
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pkg_postinst() {
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pkg_info
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}
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