diff options
author | 2011-04-05 08:24:40 +0000 | |
---|---|---|
committer | 2011-04-05 08:24:40 +0000 | |
commit | e8935a1c5dece20f93b718249d8633b08609c112 (patch) | |
tree | b2130636ed345589c6c91b6765ef8ae71bf46b10 /sci-chemistry/cns | |
parent | Dropped old, due to unsatisfied deps (diff) | |
download | historical-e8935a1c5dece20f93b718249d8633b08609c112.tar.gz historical-e8935a1c5dece20f93b718249d8633b08609c112.tar.bz2 historical-e8935a1c5dece20f93b718249d8633b08609c112.zip |
Vaxlib is deprecated
Package-Manager: portage-2.2.0_alpha29/cvs/Linux x86_64
Diffstat (limited to 'sci-chemistry/cns')
-rw-r--r-- | sci-chemistry/cns/ChangeLog | 7 | ||||
-rw-r--r-- | sci-chemistry/cns/Manifest | 11 | ||||
-rw-r--r-- | sci-chemistry/cns/cns-1.2.1-r6.ebuild | 223 |
3 files changed, 235 insertions, 6 deletions
diff --git a/sci-chemistry/cns/ChangeLog b/sci-chemistry/cns/ChangeLog index cb5606f769ec..500f9719f879 100644 --- a/sci-chemistry/cns/ChangeLog +++ b/sci-chemistry/cns/ChangeLog @@ -1,6 +1,11 @@ # ChangeLog for sci-chemistry/cns # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/cns/ChangeLog,v 1.34 2011/02/13 12:09:12 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/cns/ChangeLog,v 1.35 2011/04/05 08:24:40 jlec Exp $ + +*cns-1.2.1-r6 (05 Apr 2011) + + 05 Apr 2011; Justin Lecher <jlec@gentoo.org> +cns-1.2.1-r6.ebuild: + Vaxlib is deprecated *cns-1.3_p5 (13 Feb 2011) diff --git a/sci-chemistry/cns/Manifest b/sci-chemistry/cns/Manifest index b3f613dde106..3975b1d0b767 100644 --- a/sci-chemistry/cns/Manifest +++ b/sci-chemistry/cns/Manifest @@ -22,14 +22,15 @@ DIST cns_solve_1.21_all.tar.gz 32739912 RMD160 ab763373923264497d1ccb507cab23b2e DIST cns_solve_1.3_all.tar.gz 61221912 RMD160 6bce0ddeb04651223be46c0d94504d57da2b3e60 SHA1 51d069b8799d574b2d6124474ba8bcd1655f237e SHA256 9f7e38575d101870cf87a23a1bbaac378ed2cf60a9fada71868a10e4cbf6e1e2 EBUILD cns-1.1.ebuild 3717 RMD160 ae93fd6f7d98f712bfe9a33575d4b9e2ba968474 SHA1 4207e83d89243dfe4ad7de9fbf041580c3280376 SHA256 1ddaf3295413b4b283c8ca5f46a99db13c1cefa465f3fab3440681aa8471e001 EBUILD cns-1.2.1-r5.ebuild 6493 RMD160 01f0a61909f7b1c3967f199712b274cee74ea8c2 SHA1 5f5d1d872f67e89475a3d9e3d6169178e04403c8 SHA256 6d4d6e56e413d140faf28f4643c92c7f20f9ad98e6b1530b518845843d29b190 +EBUILD cns-1.2.1-r6.ebuild 6444 RMD160 1b6878660b3e24d8ad943b52a3b1134f4efdd6ca SHA1 54b37d3c003bb4d378830f12ac98534b797f278a SHA256 60116628cfae0de5ab83dc1f4e761865b1486c2544f83fc1c44bfe371a494f93 EBUILD cns-1.2.1.ebuild 5590 RMD160 10fbaaed0fbb8f55f7cb3583317c497d159ecd47 SHA1 bba91ab33b4247e7c21093bb69db9bc091182566 SHA256 6d83ff92189aaf220758bea97402979b3d10bc45895a26643da4b931ec641e6a EBUILD cns-1.3_p5.ebuild 5787 RMD160 147b61b60712970aee73f64bfcf3361576eb3255 SHA1 859694f279be95201e96af7d2596665cdfc533b5 SHA256 e882076639e54e880688370034231df363c7a0ddd7981b5caf588c041dbb4cce -MISC ChangeLog 6436 RMD160 c7ada96f32521537369e05a696241bf972dc8183 SHA1 75ea1b78d691506c24c81e75755e05ce93759034 SHA256 b3b3c0aad35025234d38efc2ca1cbea56b2242954930415664fe000cbc7bb2de +MISC ChangeLog 6558 RMD160 76fcaf863dc6636fbe3898761b4d436f701a9ec9 SHA1 1ec161064329807a0b2e1615571a1fbe2a05c536 SHA256 a204c4e03cc1a26224c2d1176757816b21bd7f22b602db1ccaad0953b6888694 MISC metadata.xml 302 RMD160 d60d9cd875115eaba68ad4b504bff76b39a136b0 SHA1 ecdd8feeea2de489927403f1941acfc582c17222 SHA256 a374144760a8ac1f72b1c625c41f98cee3f74511c964133bda119da580664c50 -----BEGIN PGP SIGNATURE----- -Version: GnuPG v2.0.16 (GNU/Linux) +Version: GnuPG v2.0.17 (GNU/Linux) -iEYEARECAAYFAk1Xye4ACgkQgAnW8HDreRa2OwCgq/Hd+JAeHe0UqeGhLChG369p -vigAn3KP89mWpoM4x6L2IkaTjnkQyMGS -=Oky3 +iEYEARECAAYFAk2a0c4ACgkQgAnW8HDreRbyGQCghsig0ZktCNWO/hAvlqTCMMF2 +0PoAn0ouvqTyQiLNjM4HNGfrK0RMxYcU +=aK/9 -----END PGP SIGNATURE----- diff --git a/sci-chemistry/cns/cns-1.2.1-r6.ebuild b/sci-chemistry/cns/cns-1.2.1-r6.ebuild new file mode 100644 index 000000000000..9c458469f24a --- /dev/null +++ b/sci-chemistry/cns/cns-1.2.1-r6.ebuild @@ -0,0 +1,223 @@ +# Copyright 1999-2011 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-r6.ebuild,v 1.1 2011/04/05 08:24:40 jlec Exp $ + +EAPI="3" + +inherit eutils 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="${MY_P}_all-mp.tar.gz + aria? ( aria2.3.1.tar.gz )" + +SLOT="0" +LICENSE="cns" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="aria openmp" + +RDEPEND="app-shells/tcsh" +DEPEND="${RDEPEND}" + +RESTRICT="fetch" +S="${WORKDIR}/${MY_P}" + +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() { + if [[ $(tc-getFC) =~ gfortran ]]; then + tc-has-openmp || die "Please ensure your compiler has openmp support" + fi + get_fcomp +} + +src_prepare() { + epatch "${FILESDIR}"/${PV}-gentoo.patch + epatch "${FILESDIR}"/${PV}-parallel.patch + + if use aria; then + pushd "${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" + use amd64 && \ + append-fflags -fdefault-integer-8 + elif [[ $(tc-getFC) == if* ]]; then + epatch "${FILESDIR}"/${PV}-ifort.patch + use openmp && \ + append-flags -openmp && append-ldflags -openmp + COMP="ifort" + use amd64 && append-fflags -i8 + fi + + use amd64 && \ + append-cflags "-DINTEGER='long long int'" + + # Set up location for the build directory + # Uses obsolete `sort` syntax, so we set _POSIX2_VERSION + cp "${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="${LDFLAGS}" \ + F77OPT="${FFLAGS:- -O2} ${MALIGN}" \ + F77STD="${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() { + # 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/${PF}:g" \ + -e "s:CNS_LIB \$CNS_SOLVE/libraries:CNS_LIB \$CNS_DATA/libraries:g" \ + -e "s:CNS_MODULE \$CNS_SOLVE/modules:CNS_MODULE \$CNS_DATA/modules:g" \ + -e "s:CNS_HELPLIB \$CNS_SOLVE/helplib:CNS_HELPLIB \$CNS_DATA/helplib:g" \ + -e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ + "${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/${PF}:g" \ + -e "s:CNS_LIB=\$CNS_SOLVE/libraries:CNS_LIB=\$CNS_DATA/libraries:g" \ + -e "s:CNS_MODULE=\$CNS_SOLVE/modules:CNS_MODULE=\$CNS_DATA/modules:g" \ + -e "s:CNS_HELPLIB=\$CNS_SOLVE/helplib:CNS_HELPLIB=\$CNS_DATA/helplib:g" \ + -e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ + "${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 +} |