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author | Justin Lecher <jlec@gentoo.org> | 2013-10-09 14:33:46 +0000 |
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committer | Justin Lecher <jlec@gentoo.org> | 2013-10-09 14:33:46 +0000 |
commit | 42f1a0f3c59f5dca02cabec2360cdf4a98a57996 (patch) | |
tree | c785eba057cc0066d397afd3d481b7b584619edc /sci-chemistry/cns/cns-1.2.1-r8.ebuild | |
parent | Marked ~hppa (bug #487266). (diff) | |
download | gentoo-2-42f1a0f3c59f5dca02cabec2360cdf4a98a57996.tar.gz gentoo-2-42f1a0f3c59f5dca02cabec2360cdf4a98a57996.tar.bz2 gentoo-2-42f1a0f3c59f5dca02cabec2360cdf4a98a57996.zip |
sci-chemistry/cns: Bump EAPI
(Portage version: 2.2.7/cvs/Linux x86_64, signed Manifest commit with key B9D4F231BD1558AB!)
Diffstat (limited to 'sci-chemistry/cns/cns-1.2.1-r8.ebuild')
-rw-r--r-- | sci-chemistry/cns/cns-1.2.1-r8.ebuild | 233 |
1 files changed, 233 insertions, 0 deletions
diff --git a/sci-chemistry/cns/cns-1.2.1-r8.ebuild b/sci-chemistry/cns/cns-1.2.1-r8.ebuild new file mode 100644 index 000000000000..b9d5407b364f --- /dev/null +++ b/sci-chemistry/cns/cns-1.2.1-r8.ebuild @@ -0,0 +1,233 @@ +# Copyright 1999-2013 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-r8.ebuild,v 1.1 2013/10/09 14:33:46 jlec Exp $ + +EAPI=5 + +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/ || die + 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 "${T}"/ || die + sed \ + -e "s:_CNSsolve_location_:${S}:g" \ + -e "17 s:\(.*\):\1\nsetenv _POSIX2_VERSION 199209:g" \ + -i "${S}"/cns_solve_env || die + sed \ + -e "s:_CNSsolve_location_:${S}:g" \ + -e "17 s:\(.*\):\1\nexport _POSIX2_VERSION; _POSIX2_VERSION=199209:g" \ + -i "${T}"/cns_solve_env_sh || die + + einfo "Fixing shebangs..." + find "${S}" -type f \ + -exec sed "s:/bin/csh:${EPREFIX}/bin/csh:g" -i '{}' + || die +} + +src_compile() { + local GLOBALS + local MALIGN + if [[ $(tc-getFC) =~ g77 ]]; then + GLOBALS="-fno-globals" + MALIGN='\$(CNS_MALIGN_I86)' + fi + + # Set up the compiler to use + ln -s Makefile.header instlib/machine/unsupported/g77-unix/Makefile.header.${FCOMP} || die + + # 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 +} + +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 \ + -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/${PF}:g" \ + -e "s:CNS_LIB \$CNS_SOLVE/libraries:CNS_LIB \$CNS_DATA/libraries:g" \ + -e "s:CNS_MODULE \$CNS_SOLVE/modules:CNS_MODULE \$CNS_DATA/modules:g" \ + -e "s:CNS_HELPLIB \$CNS_SOLVE/helplib:CNS_HELPLIB \$CNS_DATA/helplib:g" \ + -e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ + -e "/^g77on/d" \ + -i "${S}"/cns_solve_env || die + # I don't entirely understand why the sh version requires a leading / + # for CNS_SOLVE and CNS_ROOT, but it does + sed \ + -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/${PF}:g" \ + -e "s:CNS_LIB=\$CNS_SOLVE/libraries:CNS_LIB=\$CNS_DATA/libraries:g" \ + -e "s:CNS_MODULE=\$CNS_SOLVE/modules:CNS_MODULE=\$CNS_DATA/modules:g" \ + -e "s:CNS_HELPLIB=\$CNS_SOLVE/helplib:CNS_HELPLIB=\$CNS_DATA/helplib:g" \ + -e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ + -e "/^g77on/d" \ + -e "/^g77off/d" \ + -i "${T}"/cns_solve_env_sh || die + + # Get rid of setup stuff we don't need in the installed script + sed \ + -e "83,$ d" \ + -e "37,46 d" \ + -i "${S}"/cns_solve_env || die + sed \ + -e "84,$ d" \ + -e "39,50 d" \ + -i "${T}"/cns_solve_env_sh || die + + newbin "${S}"/*linux*/bin/cns_solve* cns_solve + + # Can be run by either cns_solve or cns + dosym cns_solve /usr/bin/cns + + # Don't want to install this + rm -f "${S}"/*linux*/utils/Makefile || die + + dobin "${S}"/*linux*/utils/* + + sed \ + -e "s:\$CNS_SOLVE/doc/:\$CNS_SOLVE/share/doc/${PF}/:g" \ + -i "${S}"/bin/cns_web || die + + dobin "${S}"/bin/cns_{edit,header,transfer,web} + + insinto /usr/share/cns + doins -r "${S}"/libraries "${S}"/modules "${S}"/helplib + doins "${S}"/bin/cns_info + + insinto /etc/profile.d + newins "${S}"/cns_solve_env cns_solve_env.csh + newins "${T}"/cns_solve_env_sh cns_solve_env.sh + + dohtml \ + -A iq,cgi,csh,cv,def,fm,gif,hkl,inp,jpeg,lib,link,list,mask,mtf,param,pdb,pdf,pl,ps,sc,sca,sdb,seq,tbl,top \ + -f all_cns_info_template,omac,def \ + -r doc/html/* + # Conflits with app-text/dos2unix + rm -f "${D}"/usr/bin/dos2unix || die +} + +pkg_postinst() { + 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 +} |