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jlec 10/04/05 21:15:30 |
| 2 |
|
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Modified: ChangeLog |
| 4 |
Added: cns-1.2.1-r4.ebuild |
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Log: |
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Ifort support |
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(Portage version: 2.2_rc67/cvs/Linux x86_64) |
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|
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Revision Changes Path |
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1.23 sci-chemistry/cns/ChangeLog |
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|
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file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/cns/ChangeLog?rev=1.23&view=markup |
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plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/cns/ChangeLog?rev=1.23&content-type=text/plain |
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diff : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/cns/ChangeLog?r1=1.22&r2=1.23 |
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|
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Index: ChangeLog |
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=================================================================== |
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RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/cns/ChangeLog,v |
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retrieving revision 1.22 |
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retrieving revision 1.23 |
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diff -u -r1.22 -r1.23 |
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--- ChangeLog 4 Apr 2010 07:08:14 -0000 1.22 |
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+++ ChangeLog 5 Apr 2010 21:15:30 -0000 1.23 |
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@@ -1,6 +1,12 @@ |
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# ChangeLog for sci-chemistry/cns |
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# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2 |
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-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/cns/ChangeLog,v 1.22 2010/04/04 07:08:14 jlec Exp $ |
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+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/cns/ChangeLog,v 1.23 2010/04/05 21:15:30 jlec Exp $ |
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+ |
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+*cns-1.2.1-r4 (05 Apr 2010) |
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+ |
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+ 05 Apr 2010; Justin Lecher <jlec@g.o> +files/1.2.1-ifort.patch, |
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+ +cns-1.2.1-r4.ebuild: |
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+ Ifort support |
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|
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04 Apr 2010; Justin Lecher <jlec@g.o> Manifest: |
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distfile digest fix |
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|
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|
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|
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1.1 sci-chemistry/cns/cns-1.2.1-r4.ebuild |
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|
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file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/cns/cns-1.2.1-r4.ebuild?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/cns/cns-1.2.1-r4.ebuild?rev=1.1&content-type=text/plain |
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|
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Index: cns-1.2.1-r4.ebuild |
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=================================================================== |
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# Copyright 1999-2010 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-r4.ebuild,v 1.1 2010/04/05 21:15:30 jlec Exp $ |
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|
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EAPI="3" |
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|
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inherit eutils fortran toolchain-funcs versionator flag-o-matic |
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|
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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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|
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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="${MY_P}_all-mp.tar.gz |
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aria? ( aria2.3.1.tar.gz )" |
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|
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SLOT="0" |
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LICENSE="cns" |
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KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" |
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IUSE="aria openmp" |
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|
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RDEPEND="app-shells/tcsh |
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!app-text/dos2unix" |
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DEPEND="${RDEPEND}" |
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PDEPEND="aria? ( ~sci-chemistry/aria-2.3.1 )" |
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|
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RESTRICT="fetch" |
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S="${WORKDIR}/${MY_P}" |
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|
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FORTRAN="gfortran ifc" |
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|
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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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|
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pkg_setup() { |
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fortran_pkg_setup |
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|
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if [[ $(tc-getCC) == *gcc* ]] && |
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( [[ $(gcc-major-version)$(gcc-minor-version) -lt 42 ]] || |
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! built_with_use sys-devel/gcc openmp ) |
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then |
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ewarn "You are using gcc and OpenMP is only available with gcc >= 4.2 " |
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ewarn "Switch CC to an OpenMP capable compiler" |
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fi |
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} |
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|
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src_prepare() { |
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epatch "${FILESDIR}"/${PV}-gentoo.patch |
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epatch "${FILESDIR}"/${PV}-parallel.patch |
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|
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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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|
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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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|
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# the code uses Intel-compiler-specific directives |
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if [[ ${FORTRANC} == gfortran ]]; then |
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epatch "${FILESDIR}"/${PV}-allow-gcc-openmp.patch |
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use openmp && \ |
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OMPLIB="-lgomp" && append-flags -fopenmp |
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COMP="gfortran" |
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use amd64 && \ |
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append-fflags -fdefault-integer-8 |
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else |
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epatch "${FILESDIR}"/${PV}-ifort.patch |
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use openmp && OMPLIB="-lgomp" && \ |
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append-flags -openmp && append-ldflags -openmp |
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COMP="ifort" |
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use amd64 && append-fflags -i8 |
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append-fflags -Vaxlib |
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append-ldflags -Vaxlib |
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fi |
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|
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use amd64 && \ |
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append-cflags "-DINTEGER='long long int'" |
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|
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# Set up location for the build directory |
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# Uses obsolete `sort` syntax, so we set _POSIX2_VERSION |
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cp "${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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"${T}"/cns_solve_env_sh |
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|
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einfo "Fixing shebangs..." |
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find "${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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|
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src_compile() { |
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local GLOBALS |
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local MALIGN |
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if [[ ${FORTRANC} = g77 ]]; then |
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GLOBALS="-fno-globals" |
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MALIGN='\$(CNS_MALIGN_I86)' |
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fi |
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|
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# Set up the compiler to use |
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pushd instlib/machine/unsupported/g77-unix 2>/dev/null |
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ln -s Makefile.header Makefile.header.${FORTRANC} || die |
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popd 2>/dev/null |
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|
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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="$(tc-getCC)" \ |
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F77="${FORTRANC}" \ |
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LD="${FORTRANC}" \ |
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CCFLAGS="${CFLAGS} -DCNS_ARCH_TYPE_\$(CNS_ARCH_TYPE) \$(EXT_CCFLAGS)" \ |
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LDFLAGS="${LDFLAGS}" \ |
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F77OPT="${FFLAGS:- -O2} ${MALIGN}" \ |
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F77STD="${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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} |
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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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sh -c \ |
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"export CNS_G77=ON; source ${T}/cns_solve_env_sh; make run_tests" \ |
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|| die "tests failed" |
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einfo "Displaying test results ..." |
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cat "${S}"/*_g77/test/*.diff-test |
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} |
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|
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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/${PF}:g" \ |
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-e "s:CNS_LIB \$CNS_SOLVE/libraries:CNS_LIB \$CNS_DATA/libraries:g" \ |
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-e "s:CNS_MODULE \$CNS_SOLVE/modules:CNS_MODULE \$CNS_DATA/modules:g" \ |
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-e "s:CNS_HELPLIB \$CNS_SOLVE/helplib:CNS_HELPLIB \$CNS_DATA/helplib:g" \ |
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-e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ |
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"${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/${PF}:g" \ |
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-e "s:CNS_LIB=\$CNS_SOLVE/libraries:CNS_LIB=\$CNS_DATA/libraries:g" \ |
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-e "s:CNS_MODULE=\$CNS_SOLVE/modules:CNS_MODULE=\$CNS_DATA/modules:g" \ |
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-e "s:CNS_HELPLIB=\$CNS_SOLVE/helplib:CNS_HELPLIB=\$CNS_DATA/helplib:g" \ |
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-e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ |
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"${T}"/cns_solve_env_sh |
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|
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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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"${T}"/cns_solve_env_sh |
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|
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newbin "${S}"/*linux*/bin/cns_solve* cns_solve \ |
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|| die "install cns_solve failed" |
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|
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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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|
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# Don't want to install this |
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rm -f "${S}"/*linux*/utils/Makefile |
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|
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dobin "${S}"/*linux*/utils/* || die "install utils failed" |
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|
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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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|
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dobin "${S}"/bin/cns_{edit,header,transfer,web} || die "install bin failed" |
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|
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insinto /usr/share/cns |
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doins -r "${S}"/libraries "${S}"/modules "${S}"/helplib || die |
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doins "${S}"/bin/cns_info || die |
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|
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insinto /etc/profile.d |
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newins "${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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|
| 253 |
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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} |
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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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|
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pkg_postinst() { |
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pkg_info |
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} |
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