diff options
Diffstat (limited to 'sci-chemistry/reduce')
| -rw-r--r-- | sci-chemistry/reduce/ChangeLog | 11 | ||||
| -rw-r--r-- | sci-chemistry/reduce/Manifest | 14 | ||||
| -rw-r--r-- | sci-chemistry/reduce/reduce-3.13.080428.ebuild | 58 |
3 files changed, 80 insertions, 3 deletions
diff --git a/sci-chemistry/reduce/ChangeLog b/sci-chemistry/reduce/ChangeLog index 5889b66acd11..aac9315bdcf9 100644 --- a/sci-chemistry/reduce/ChangeLog +++ b/sci-chemistry/reduce/ChangeLog @@ -1,6 +1,13 @@ # ChangeLog for sci-chemistry/reduce -# Copyright 1999-2006 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/reduce/ChangeLog,v 1.10 2006/10/23 03:55:16 dberkholz Exp $ +# Copyright 1999-2008 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/reduce/ChangeLog,v 1.11 2008/07/07 06:06:01 dberkholz Exp $ + +*reduce-3.13.080428 (07 Jul 2008) + + 07 Jul 2008; Donnie Berkholz <dberkholz@gentoo.org>; + +reduce-3.13.080428.ebuild: + (#230693) Bump. Keyword ~amd64. Thanks to Philipp Psurek for doing the + initial investigation on what changes happened. 23 Oct 2006; Donnie Berkholz <dberkholz@gentoo.org>; reduce-2.21.030604.ebuild, reduce-3.02.060709.ebuild: diff --git a/sci-chemistry/reduce/Manifest b/sci-chemistry/reduce/Manifest index 0c28becd28c7..b582f66f811b 100644 --- a/sci-chemistry/reduce/Manifest +++ b/sci-chemistry/reduce/Manifest @@ -1,9 +1,21 @@ +-----BEGIN PGP SIGNED MESSAGE----- +Hash: SHA1 + AUX 2.21.030604-gcc4.patch 3946 RMD160 f9c8d7f884bc942e31bd0273fe4f43d8f0e2ecc6 SHA1 c596c6ac2741567bc179e50871cc3d607327cec1 SHA256 9c6372e7d44ff83b42ab0ad7f08b7173c8cbfabe204b991ec828c5428d048ff8 AUX 3.02.060709-remove-extra-qualification.patch 511 RMD160 6c3d43d39a40c608e9aad6ad9fe6da06b59f98e6 SHA1 48805fa78b64f4ab1f46c1acf51eb85032af8db8 SHA256 c814e0e6f23671aba5e2d1b6be74f91390737bd06ca7fbc122ef31eec0ae4c28 DIST reduce.2.21.030604.src.tgz 132262 RMD160 db5ff4ea12e50c7ea9d8215011f80966ce5397b6 SHA1 c69944bb28beb50013e8c8b6ea67d2581e924777 SHA256 0889c1bed10680090a1fd62cce1a46a13768b4ea77cbf036245b15e2e542337d DIST reduce.3.02.060709.source.tgz 1266648 RMD160 2ea7cca496901fa3e7e4975bcd6fce4fba17ff44 SHA1 491bd499ca1d935f36bc2c134c2e2f92aa8205bb SHA256 bd134c3e5859a6ec361b1c07405d17c3ffc14cfcb26ebbe439d1cfe07208a275 +DIST reduce.3.13.080428.src.tgz 4387407 RMD160 b68637246dd579021cf605278690dfcb0d0074d5 SHA1 0b8142ffc4374fd7d259216fc86eb2ca94c5ea84 SHA256 6290dad33e395c5a40fe3634db86fb6035ea88ce19c3f25b80fb6378507ac066 DIST reduce_het_dict.txt.zip 983850 RMD160 5d1aa16adc4c9e3355b58937dbe8033afa4e8a17 SHA1 13a73d98315deef4abc76afa3cb5b7dc775c3882 SHA256 382802ebb89332dd0a0f208ef5ca6b9cd0ddca5b7a5d6bf8226d5aa1f506a384 EBUILD reduce-2.21.030604.ebuild 1699 RMD160 5a6ce5ed7ac3b9f1dc80f159e8fded46e76407d4 SHA1 170f27cb7cee5b119e13c138565257a245004283 SHA256 aaa3a65b3e264d0c342202c8cb113e4c33be8e3147c00f8868357047357e8d39 EBUILD reduce-3.02.060709.ebuild 1395 RMD160 d206b17dc9610ab57a8d4b86ca057ae95c4aeab9 SHA1 2f6008c2c2a2b858495906478e1a42e17d2258e8 SHA256 91efa4d264990ab60fc8ba0da2fa4d17d4af51c848b2e57e318e4ed181c679f1 -MISC ChangeLog 1654 RMD160 fbca3dad535512cf0d0270a2c986289cde3ed059 SHA1 cd90cbc41f8a25c6431b8e7d2f04bbf6c6180ecb SHA256 8e355f6527af0deaca30df9215a307e204ee5872733b2c62e3be130612efbedb +EBUILD reduce-3.13.080428.ebuild 1537 RMD160 d50d8a0550c46907e9d28ba183d953e9d0534eb0 SHA1 284d9b0e52fa29c585d7d88f4cb5a35c6051b972 SHA256 c0ad798d72e6f02b5d6d83874f6c9cbc26a1ace5f5b8e798b2db1b22c142204d +MISC ChangeLog 1898 RMD160 1be79411ce9c00ae380c78bf602f9ee6365bf086 SHA1 7fcc4af20dd1e8ccb9da4210e805c25f75ad6a60 SHA256 076492a3de27594811c4b57d42be77278d186a7f9d63c2b5444d03a38b40dc10 MISC metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 SHA1 cb0b513473c0348f4f6f6cd9a132e4884155fddb SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852 +-----BEGIN PGP SIGNATURE----- +Version: GnuPG v2.0.9 (GNU/Linux) + +iEYEARECAAYFAkhxsk0ACgkQXVaO67S1rtuHAQCfUz5wThkBMFrYPJrEjY9wGqn0 +3QgAoLhNs9v2KiIw2e3a1HnYhRLZj8tR +=pl1e +-----END PGP SIGNATURE----- diff --git a/sci-chemistry/reduce/reduce-3.13.080428.ebuild b/sci-chemistry/reduce/reduce-3.13.080428.ebuild new file mode 100644 index 000000000000..d8e25f99c633 --- /dev/null +++ b/sci-chemistry/reduce/reduce-3.13.080428.ebuild @@ -0,0 +1,58 @@ +# Copyright 1999-2008 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/reduce/reduce-3.13.080428.ebuild,v 1.1 2008/07/07 06:06:01 dberkholz Exp $ + +# If you want to fix the warnings about friend declaration 'foo' declared as +# a non-template function, see http://gcc.gnu.org/faq.html#friend. + +inherit eutils toolchain-funcs + +MY_P="${PN}.${PV}.src" +DESCRIPTION="Adds hydrogens to a Protein Data Bank (PDB) molecule structure file" +HOMEPAGE="http://kinemage.biochem.duke.edu/software/reduce.php" +SRC_URI="http://kinemage.biochem.duke.edu/downloads/software/reduce31/${MY_P}.tgz" +LICENSE="richardson" +SLOT="0" +KEYWORDS="~ppc ~x86 ~amd64" +IUSE="" +RDEPEND="" +DEPEND="${RDEPEND} + app-arch/unzip" +S="${WORKDIR}/${MY_P}" + +src_unpack() { + DICT_DIR="/usr/share/reduce" + DICT_FILE="reduce_het_dict.txt" + DICT_LOC="${DICT_DIR}/${DICT_FILE}" + + unpack ${A} + cd "${S}" + + einfo "Fixing location of dictionary" + sed -i \ + -e "s:^\(DICT_HOME.*=\).*:\1 ${DICT_LOC}:g" \ + "${S}"/*/Makefile +} + +src_compile() { + emake \ + CXX="$(tc-getCXX)" \ + OPT="${CXXFLAGS}" \ + || die "make failed" +} + +src_install() { + dobin "${S}"/reduce_src/reduce || die + insinto ${DICT_DIR} + doins "${S}"/${DICT_FILE} "${S}"/reduce_wwPDB_het_dict.txt || die + dodoc README.usingReduce.txt || die +} + +pkg_info() { + elog "To use the PDBv3 dictionary instead of PDBv2, set the environment" + elog "variable REDUCE_HET_DICT to /usr/share/reduce/reduce_wwPDB_het_dict.txt" +} + +pkg_postinst() { + pkg_info +} |