diff options
author | Justin Lecher <jlec@gentoo.org> | 2014-06-08 08:27:31 +0000 |
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committer | Justin Lecher <jlec@gentoo.org> | 2014-06-08 08:27:31 +0000 |
commit | 682c0cbfa6f8f53b544cef1b562b0d106473874c (patch) | |
tree | 97fb1d5597cce8677679695abe7cf86fbca77e27 /sci-chemistry/cns | |
parent | dev-cpp/tbb: Add compatibility with versioned gcc, #512672 (diff) | |
download | gentoo-2-682c0cbfa6f8f53b544cef1b562b0d106473874c.tar.gz gentoo-2-682c0cbfa6f8f53b544cef1b562b0d106473874c.tar.bz2 gentoo-2-682c0cbfa6f8f53b544cef1b562b0d106473874c.zip |
sci-chemistry/cns: Stabilize; drop pre EAPI=5 ebuilds, #478584; add longdescription, #511734
(Portage version: 2.2.10/cvs/Linux x86_64, signed Manifest commit with key B9D4F231BD1558AB!)
Diffstat (limited to 'sci-chemistry/cns')
-rw-r--r-- | sci-chemistry/cns/ChangeLog | 8 | ||||
-rw-r--r-- | sci-chemistry/cns/cns-1.2.1-r7.ebuild | 241 | ||||
-rw-r--r-- | sci-chemistry/cns/cns-1.3_p7.ebuild | 224 | ||||
-rw-r--r-- | sci-chemistry/cns/metadata.xml | 10 |
4 files changed, 16 insertions, 467 deletions
diff --git a/sci-chemistry/cns/ChangeLog b/sci-chemistry/cns/ChangeLog index 8709f966b04f..d900e61ea061 100644 --- a/sci-chemistry/cns/ChangeLog +++ b/sci-chemistry/cns/ChangeLog @@ -1,6 +1,10 @@ # ChangeLog for sci-chemistry/cns -# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/cns/ChangeLog,v 1.54 2013/10/09 14:33:46 jlec Exp $ +# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/cns/ChangeLog,v 1.55 2014/06/08 08:27:31 jlec Exp $ + + 08 Jun 2014; Justin Lecher <jlec@gentoo.org> -cns-1.2.1-r7.ebuild, + -cns-1.3_p7.ebuild, metadata.xml: + Stabilize; drop pre EAPI=5 ebuilds, #478584; add longdescription, #511734 *cns-1.3_p7-r1 (09 Oct 2013) *cns-1.2.1-r8 (09 Oct 2013) diff --git a/sci-chemistry/cns/cns-1.2.1-r7.ebuild b/sci-chemistry/cns/cns-1.2.1-r7.ebuild deleted file mode 100644 index b01e7cccc969..000000000000 --- a/sci-chemistry/cns/cns-1.2.1-r7.ebuild +++ /dev/null @@ -1,241 +0,0 @@ -# Copyright 1999-2012 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $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 $ - -EAPI=3 - -inherit eutils fortran-2 toolchain-funcs versionator flag-o-matic - -MY_PN="${PN}_solve" -MY_PV="$(delete_version_separator 2)" -MY_P="${MY_PN}_${MY_PV}" - -DESCRIPTION="Crystallography and NMR System" -HOMEPAGE="http://cns.csb.yale.edu/" -SRC_URI=" - ${MY_P}_all-mp.tar.gz - aria? ( aria2.3.2.tar.gz )" - -SLOT="0" -LICENSE="cns" -KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux" -IUSE="aria openmp" - -RDEPEND="app-shells/tcsh" -DEPEND="${RDEPEND}" - -FORTRAN_NEED_OPENMP=1 - -S="${WORKDIR}/${MY_P}" - -RESTRICT="fetch test" - -pkg_nofetch() { - elog "Fill out the form at http://cns.csb.yale.edu/cns_request/" - use aria && elog "and http://aria.pasteur.fr/" - elog "and place these files:" - elog ${A} - elog "in ${DISTDIR}." -} - -get_fcomp() { - case $(tc-getFC) in - *gfortran* ) - FCOMP="gfortran" ;; - ifort ) - FCOMP="ifc" ;; - * ) - FCOMP=$(tc-getFC) ;; - esac -} - -pkg_setup() { - fortran-2_pkg_setup - get_fcomp -} - -get_bitness() { - echo > "${T}"/test.c - $(tc-getCC) ${CFLAGS} -c "${T}"/test.c -o "${T}"/test.o - case $(file "${T}"/test.o) in - *64-bit*|*ppc64*|*x86_64*) export _bitness="64";; - *32-bit*|*ppc*|*i386*) export _bitness="32";; - *) die "Failed to detect whether your arch is 64bits or 32bits, disable distcc if you're using it, please";; - esac -} - -src_prepare() { - epatch \ - "${FILESDIR}"/${PV}-gentoo.patch \ - "${FILESDIR}"/${PV}-parallel.patch - - get_bitness - - if use aria; then - pushd "${WORKDIR}"/aria* >& /dev/null - # Update the cns sources in aria for version 1.2.1 - epatch "${FILESDIR}"/1.2.1-aria2.3.patch - - # Update the code with aria specific things - cp -rf cns/src/* "${S}"/source/ - popd >& /dev/null - fi - - # the code uses Intel-compiler-specific directives - if [[ $(tc-getFC) =~ gfortran ]]; then - epatch "${FILESDIR}"/${PV}-allow-gcc-openmp.patch - use openmp && \ - append-flags -fopenmp && append-ldflags -fopenmp - COMP="gfortran" - [[ ${_bitness} == 64 ]] && \ - append-fflags -fdefault-integer-8 - elif [[ $(tc-getFC) == if* ]]; then - epatch "${FILESDIR}"/${PV}-ifort.patch - use openmp && \ - append-flags -openmp && append-ldflags -openmp - COMP="ifort" - [[ ${_bitness} == 64 ]] && append-fflags -i8 - fi - - [[ ${_bitness} == 64 ]] && \ - append-cflags "-DINTEGER='long long int'" - - # Set up location for the build directory - # Uses obsolete `sort` syntax, so we set _POSIX2_VERSION - cp "${FILESDIR}"/cns_solve_env_sh "${T}"/ - sed -i \ - -e "s:_CNSsolve_location_:${S}:g" \ - -e "17 s:\(.*\):\1\nsetenv _POSIX2_VERSION 199209:g" \ - "${S}"/cns_solve_env - sed -i \ - -e "s:_CNSsolve_location_:${S}:g" \ - -e "17 s:\(.*\):\1\nexport _POSIX2_VERSION; _POSIX2_VERSION=199209:g" \ - "${T}"/cns_solve_env_sh - - einfo "Fixing shebangs..." - find "${S}" -type f \ - -exec sed "s:/bin/csh:${EPREFIX}/bin/csh:g" -i '{}' \; || die -} - -src_compile() { - local GLOBALS - local MALIGN - if [[ $(tc-getFC) =~ g77 ]]; then - GLOBALS="-fno-globals" - MALIGN='\$(CNS_MALIGN_I86)' - fi - - # Set up the compiler to use - pushd instlib/machine/unsupported/g77-unix 2>/dev/null - ln -s Makefile.header Makefile.header.${FCOMP} || die - popd 2>/dev/null - - # make install really means build, since it's expected to be used in-place - # -j1 doesn't mean we do no respect MAKEOPTS! - emake -j1 \ - CC="$(tc-getCC)" \ - F77=$(tc-getFC) \ - LD=$(tc-getFC) \ - CCFLAGS="${CFLAGS} -DCNS_ARCH_TYPE_\$(CNS_ARCH_TYPE) \$(EXT_CCFLAGS)" \ - LDFLAGS="${LDFLAGS}" \ - F77OPT="${FCFLAGS} ${MALIGN}" \ - F77STD="${GLOBALS}" \ - OMPLIB="${OMPLIB}" \ - compiler="${COMP}" \ - install \ - || die "emake failed" -} - -src_test() { - # We need to force on g77 manually, because we can't get aliases working - # when we source in a -c - einfo "Running tests ..." - csh -c \ - "export CNS_G77=ON; source ${S}/cns_solve_env; make run_tests" \ - || die "tests failed" - einfo "Displaying test results ..." - cat "${S}"/*_g77/test/*.diff-test -} - -src_install() { - # Install to locations resembling FHS - sed -i \ - -e "s:${S}:usr:g" \ - -e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_ROOT ${EPREFIX}/usr:g" \ - -e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_DATA \$CNS_ROOT/share/cns:g" \ - -e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_DOC \$CNS_ROOT/share/doc/${PF}:g" \ - -e "s:CNS_LIB \$CNS_SOLVE/libraries:CNS_LIB \$CNS_DATA/libraries:g" \ - -e "s:CNS_MODULE \$CNS_SOLVE/modules:CNS_MODULE \$CNS_DATA/modules:g" \ - -e "s:CNS_HELPLIB \$CNS_SOLVE/helplib:CNS_HELPLIB \$CNS_DATA/helplib:g" \ - -e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ - -e "/^g77on/d" \ - "${S}"/cns_solve_env - # I don't entirely understand why the sh version requires a leading / - # for CNS_SOLVE and CNS_ROOT, but it does - sed -i \ - -e "s:${S}:/usr:g" \ - -e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_ROOT=${EPREFIX}/usr:g" \ - -e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_DATA=\$CNS_ROOT/share/cns:g" \ - -e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_DOC=\$CNS_ROOT/share/doc/${PF}:g" \ - -e "s:CNS_LIB=\$CNS_SOLVE/libraries:CNS_LIB=\$CNS_DATA/libraries:g" \ - -e "s:CNS_MODULE=\$CNS_SOLVE/modules:CNS_MODULE=\$CNS_DATA/modules:g" \ - -e "s:CNS_HELPLIB=\$CNS_SOLVE/helplib:CNS_HELPLIB=\$CNS_DATA/helplib:g" \ - -e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ - -e "/^g77on/d" \ - -e "/^g77off/d" \ - "${T}"/cns_solve_env_sh - - # Get rid of setup stuff we don't need in the installed script - sed -i \ - -e "83,$ d" \ - -e "37,46 d" \ - "${S}"/cns_solve_env - sed -i \ - -e "84,$ d" \ - -e "39,50 d" \ - "${T}"/cns_solve_env_sh - - newbin "${S}"/*linux*/bin/cns_solve* cns_solve \ - || die "install cns_solve failed" - - # Can be run by either cns_solve or cns - dosym cns_solve /usr/bin/cns - - # Don't want to install this - rm -f "${S}"/*linux*/utils/Makefile - - dobin "${S}"/*linux*/utils/* || die "install utils failed" - - sed -i \ - -e "s:\$CNS_SOLVE/doc/:\$CNS_SOLVE/share/doc/${PF}/:g" \ - "${S}"/bin/cns_web || die - - dobin "${S}"/bin/cns_{edit,header,transfer,web} || die "install bin failed" - - insinto /usr/share/cns - doins -r "${S}"/libraries "${S}"/modules "${S}"/helplib || die - doins "${S}"/bin/cns_info || die - - insinto /etc/profile.d - newins "${S}"/cns_solve_env cns_solve_env.csh || die - newins "${T}"/cns_solve_env_sh cns_solve_env.sh || die - - dohtml \ - -A iq,cgi,csh,cv,def,fm,gif,hkl,inp,jpeg,lib,link,list,mask,mtf,param,pdb,pdf,pl,ps,sc,sca,sdb,seq,tbl,top \ - -f all_cns_info_template,omac,def \ - -r doc/html/* || die - # Conflits with app-text/dos2unix - rm -f "${D}"/usr/bin/dos2unix -} - -pkg_info() { - if use openmp; then - elog "Set OMP_NUM_THREADS to the number of threads you want." - elog "If you get segfaults on large structures, set the GOMP_STACKSIZE" - elog "variable if using gcc (16384 should be good)." - fi -} - -pkg_postinst() { - pkg_info -} diff --git a/sci-chemistry/cns/cns-1.3_p7.ebuild b/sci-chemistry/cns/cns-1.3_p7.ebuild deleted file mode 100644 index 0caa1251ad4c..000000000000 --- a/sci-chemistry/cns/cns-1.3_p7.ebuild +++ /dev/null @@ -1,224 +0,0 @@ -# Copyright 1999-2012 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/cns/cns-1.3_p7.ebuild,v 1.3 2012/11/27 13:17:37 jlec Exp $ - -EAPI=3 - -inherit eutils fortran-2 toolchain-funcs versionator flag-o-matic - -MY_PN="${PN}_solve" -MY_PV="$(delete_version_separator 2)" -MY_P="${MY_PN}_${MY_PV}" - -DESCRIPTION="Crystallography and NMR System" -HOMEPAGE="http://cns.csb.yale.edu/" -SRC_URI=" - ${MY_P/p7}_all.tar.gz - aria? ( aria2.3.1.tar.gz )" - -SLOT="0" -LICENSE="cns" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="aria openmp" - -RDEPEND="app-shells/tcsh" -DEPEND="${RDEPEND}" - -FORTRAN_NEED_OPENMP=1 - -S="${WORKDIR}/${MY_P/p7}" - -RESTRICT="fetch" - -pkg_nofetch() { - elog "Fill out the form at http://cns.csb.yale.edu/cns_request/" - use aria && elog "and http://aria.pasteur.fr/" - elog "and place these files:" - elog ${A} - elog "in ${DISTDIR}." -} - -get_fcomp() { - case $(tc-getFC) in - *gfortran* ) - FCOMP="gfortran" ;; - ifort ) - FCOMP="ifc" ;; - * ) - FCOMP=$(tc-getFC) ;; - esac -} - -pkg_setup() { - fortran-2_pkg_setup - get_fcomp -} - -get_bitness() { - echo > "${T}"/test.c - $(tc-getCC) ${CFLAGS} -c "${T}"/test.c -o "${T}"/test.o - case $(file "${T}"/test.o) in - *64-bit*|*ppc64*|*x86_64*) export _bitness="64";; - *32-bit*|*ppc*|*i386*) export _bitness="32";; - *) die "Failed to detect whether your arch is 64bits or 32bits, disable distcc if you're using it, please";; - esac -} - -src_prepare() { - epatch \ - "${FILESDIR}"/${PV}-gentoo.patch \ - "${FILESDIR}"/${PV}-delete.patch - - get_bitness - - if use aria; then - pushd "${WORKDIR}"/aria* >& /dev/null - # Update the cns sources in aria for version 1.2.1 - epatch "${FILESDIR}"/1.2.1-aria2.3.patch - - # Update the code with aria specific things - cp -rf cns/src/* "${S}"/source/ - popd >& /dev/null - fi - - # the code uses Intel-compiler-specific directives - if [[ $(tc-getFC) =~ gfortran ]]; then - use openmp && \ - append-flags -fopenmp && append-ldflags -fopenmp - COMP="gfortran" - [[ ${_bitness} == 64 ]] && \ - append-fflags -fdefault-integer-8 - elif [[ $(tc-getFC) == if* ]]; then - use openmp && \ - append-flags -openmp && append-ldflags -openmp - COMP="ifort" - [[ ${_bitness} == 64 ]] && append-fflags -i8 - fi - - [[ ${_bitness} == 64 ]] && \ - append-cflags "-DINTEGER='long long int'" - - # Set up location for the build directory - # Uses obsolete `sort` syntax, so we set _POSIX2_VERSION - cp "${FILESDIR}"/cns_solve_env_sh-${PV} "${T}"/cns_solve_env_sh || die - sed -i \ - -e "s:_CNSsolve_location_:${S}:g" \ - -e "17 s:\(.*\):\1\nsetenv _POSIX2_VERSION 199209:g" \ - "${S}"/cns_solve_env || die - sed -i \ - -e "s:_CNSsolve_location_:${S}:g" \ - -e "17 s:\(.*\):\1\nexport _POSIX2_VERSION; _POSIX2_VERSION=199209:g" \ - -e "s:setenv OMP_STACKSIZE 256m:export OMP_STACKSIZE= 256m:g" \ - -e "s:limit:ulimit:g" \ - "${T}"/cns_solve_env_sh || die - - ebegin "Fixing shebangs..." - find "${S}" -type f \ - -exec sed "s:/bin/csh:${EPREFIX}/bin/csh:g" -i '{}' \; || die - find . -name "Makefile*" \ - -exec \ - sed \ - -e "s:^SHELL=/bin/sh:SHELL=${EPREFIX}/bin/sh:g" \ - -e "s:/bin/ls:ls:g" \ - -e "s:/bin/rm:rm:g" \ - -i '{}' \; || die - eend -} - -src_compile() { - local GLOBALS - local MALIGN - - # Set up the compiler to use - pushd instlib/machine/unsupported/g77-unix 2>/dev/null - ln -s Makefile.header Makefile.header.${FCOMP} || die - popd 2>/dev/null - - # make install really means build, since it's expected to be used in-place - # -j1 doesn't mean we do no respect MAKEOPTS! - emake -j1 \ - CC="$(tc-getCC)" \ - CXX="$(tc-getCXX)" \ - F77=$(tc-getFC) \ - LD=$(tc-getFC) \ - CCFLAGS="${CFLAGS} -DCNS_ARCH_TYPE_\$(CNS_ARCH_TYPE) \$(EXT_CCFLAGS)" \ - CXXFLAGS="${CXXFLAGS} -DCNS_ARCH_TYPE_\$(CNS_ARCH_TYPE) \$(EXT_CCFLAGS)" \ - LDFLAGS="${LDFLAGS}" \ - F77OPT="${FCFLAGS} ${MALIGN}" \ - F77STD="${GLOBALS}" \ - OMPLIB="${OMPLIB}" \ - compiler="${COMP}" \ - install \ - || die "emake failed" -} - -src_test() { - # We need to force on g77 manually, because we can't get aliases working - # when we source in a -c - einfo "Running tests ..." - sh -c \ - "export CNS_G77=ON; source ${T}/cns_solve_env_sh; make run_tests" \ - || die "tests failed" - einfo "Displaying test results ..." - cat "${S}"/*_g77/test/*.diff-test -} - -src_install() { - cat >> "${T}"/66cns <<- EOF - CNS_SOLVE="${EPREFIX}/usr" - CNS_ROOT="${EPREFIX}/usr" - CNS_DATA="${EPREFIX}/usr/share/cns" - CNS_DOC="${EPREFIX}/usr/share/doc/cns-1.3" - CNS_LIB="${EPREFIX}/usr/share/cns/libraries" - CNS_MODULE="${EPREFIX}/usr/share/cns/modules" - CNS_TOPPAR="${EPREFIX}/usr/share/cns/libraries/toppar" - CNS_CONFDB="${EPREFIX}/usr/share/cns/libraries/confdb" - CNS_XTALLIB="${EPREFIX}/usr/share/cns/libraries/xtal" - CNS_NMRLIB="${EPREFIX}/usr/share/cns/libraries/nmr" - CNS_XRAYLIB="${EPREFIX}/usr/share/cns/libraries/xray" - CNS_XTALMODULE="${EPREFIX}/usr/share/cns/modules/xtal" - CNS_NMRMODULE="${EPREFIX}/usr/share/cns/modules/nmr" - CNS_HELPLIB="${EPREFIX}/usr/share/cns/helplib" - EOF - - doenvd "${T}"/66cns || die - - # Don't want to install this - rm -f "${S}"/*linux*/utils/Makefile - - sed -i \ - -e "s:\$CNS_SOLVE/doc/:\$CNS_SOLVE/share/doc/${PF}/:g" \ - "${S}"/bin/cns_web || die - - newbin "${S}"/*linux*/bin/cns_solve* cns_solve \ - || die "install cns_solve failed" - - # Can be run by either cns_solve or cns - dosym cns_solve /usr/bin/cns - - dobin \ - "${S}"/*linux*/utils/* \ - "${S}"/bin/cns_{edit,header,import_cif,transfer,web} || die "install bin failed" - - insinto /usr/share/cns - doins -r "${S}"/libraries "${S}"/modules "${S}"/helplib "${S}"/bin/cns_info || die - - dohtml \ - -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 \ - -f all_cns_info_template,omac,def \ - -r doc/html/* || die - # Conflits with app-text/dos2unix - rm -f "${D}"/usr/bin/dos2unix || die -} - -pkg_info() { - if use openmp; then - elog "Set OMP_NUM_THREADS to the number of threads you want." - elog "If you get segfaults on large structures, set the GOMP_STACKSIZE" - elog "variable if using gcc (16384 should be good)." - fi -} - -pkg_postinst() { - pkg_info -} diff --git a/sci-chemistry/cns/metadata.xml b/sci-chemistry/cns/metadata.xml index 3102a32e4dd1..a9cb92ec3f79 100644 --- a/sci-chemistry/cns/metadata.xml +++ b/sci-chemistry/cns/metadata.xml @@ -8,4 +8,14 @@ <use> <flag name="aria"> Support patch for sci-chemistry/aria</flag> </use> + <longdescription> +Crystallography and NMR System (CNS) is the result of an international +collaborative effort among several research groups. The program has +been designed to provide a flexible multi-level hierachical approach for the +most commonly used algorithms in macromolecular structure determination. +Highlights include heavy atom searching, experimental phasing (including +MAD and MIR), density modification, crystallographic refinement with maximum +likelihood targets, and NMR structure calculation using NOEs, J-coupling, +chemical shift, and dipolar coupling data. +</longdescription> </pkgmetadata> |