diff options
author | Justin Lecher <jlec@gentoo.org> | 2010-03-07 10:13:06 +0000 |
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committer | Justin Lecher <jlec@gentoo.org> | 2010-03-07 10:13:06 +0000 |
commit | 9987de3a486d5333c9a920949499c8ae93fc40a2 (patch) | |
tree | 5f3984db172917a98594671f356f85104fd62b78 /sci-chemistry/dssp | |
parent | New addition for NMR assignment and structure calculation software (diff) | |
download | historical-9987de3a486d5333c9a920949499c8ae93fc40a2.tar.gz historical-9987de3a486d5333c9a920949499c8ae93fc40a2.tar.bz2 historical-9987de3a486d5333c9a920949499c8ae93fc40a2.zip |
New addition
Package-Manager: portage-2.2_rc65/cvs/Linux x86_64
Diffstat (limited to 'sci-chemistry/dssp')
-rw-r--r-- | sci-chemistry/dssp/ChangeLog | 21 | ||||
-rw-r--r-- | sci-chemistry/dssp/Manifest | 15 | ||||
-rw-r--r-- | sci-chemistry/dssp/dssp-070831.ebuild | 46 | ||||
-rw-r--r-- | sci-chemistry/dssp/files/Makefile | 7 | ||||
-rw-r--r-- | sci-chemistry/dssp/metadata.xml | 8 |
5 files changed, 97 insertions, 0 deletions
diff --git a/sci-chemistry/dssp/ChangeLog b/sci-chemistry/dssp/ChangeLog new file mode 100644 index 000000000000..1b0b32a1b6db --- /dev/null +++ b/sci-chemistry/dssp/ChangeLog @@ -0,0 +1,21 @@ +# ChangeLog for sci-chemistry/dssp +# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/dssp/ChangeLog,v 1.1 2010/03/07 10:13:05 jlec Exp $ + +*dssp-070831 (07 Mar 2010) + + 07 Mar 2010; Justin Lecher (jlec) <jlec@gentoo.org> +dssp-070831.ebuild, + +files/Makefile, +metadata.xml: + The DSSP program was designed by Wolfgang Kabsch and Chris Sander to + standardize secondary structure assignment. DSSP is a database of + secondary structure assignments (and much more) for all protein entries in + the Protein Data Bank (PDB). DSSP is also the program that calculates DSSP + entries from PDB entries. + + If you use DSSP, please quote: + + Dictionary of protein secondary structure: pattern recognition of + hydrogen-bonded and geometrical features. + Biopolymers. 1983 Dec;22(12):2577-637. + PMID: 6667333; UI: 84128824. + diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest new file mode 100644 index 000000000000..5e9a5a28fcd7 --- /dev/null +++ b/sci-chemistry/dssp/Manifest @@ -0,0 +1,15 @@ +-----BEGIN PGP SIGNED MESSAGE----- +Hash: SHA1 + +AUX Makefile 237 RMD160 e7c5528bcf5d5d514c0ff2a58019d1570c3ba932 SHA1 497481dac448abe16e73517d6c25ab760b992bea SHA256 4caa74d9736641485b2e977f0b810f692b8afde933d80947da338c56a6f53510 +DIST dssp-070831cmbi.tar.gz 451919 RMD160 656e1be2c5db6150a3db2785bcaf874632b3cf27 SHA1 40ffc8fcd1400eb4675285995f1c366ff6612004 SHA256 bf5cdd970f92fd80268b87a468d4efe891d3227fd15136147889605299f75661 +EBUILD dssp-070831.ebuild 1142 RMD160 cfebc59b1b6fab822af6c7a07cacf0007499ff3b SHA1 ae9833c7ee5571e068a64f1fef22215e3be2fc1d SHA256 6f810bed65787385c29293a4d2c69ceca9d31195db380c0a3f2674e07c0464b3 +MISC ChangeLog 885 RMD160 3940901e242f36f18cef226771a75f60a4c5f292 SHA1 8e017382132199a2f4c34c98357af4a5edc77a2a SHA256 c9cc64cbbd65efb237aa1cd16c0f881ffa99f512631a502092a9a7b20c30c825 +MISC metadata.xml 216 RMD160 04a6fc4e2160b439296b52aa97d5b7d83af75508 SHA1 9561c9e6eada6aac9b503407917900529ce703e9 SHA256 24f5c205c2655ef27138c8aa087701626f5b4c666229c9ef7fe814e63ea2e776 +-----BEGIN PGP SIGNATURE----- +Version: GnuPG v2.0.14 (GNU/Linux) + +iEYEARECAAYFAkuTfDYACgkQgAnW8HDreRa6YQCgj0ugYWxZ44+pfdDa7GfOG5TF +c7gAn3Qa5KWAF0vuzvow2zmgYc4qCpJh +=chJ1 +-----END PGP SIGNATURE----- diff --git a/sci-chemistry/dssp/dssp-070831.ebuild b/sci-chemistry/dssp/dssp-070831.ebuild new file mode 100644 index 000000000000..30dde1d70ade --- /dev/null +++ b/sci-chemistry/dssp/dssp-070831.ebuild @@ -0,0 +1,46 @@ +# Copyright 1999-2010 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/dssp/dssp-070831.ebuild,v 1.1 2010/03/07 10:13:05 jlec Exp $ + +EAPI="2" + +inherit toolchain-funcs flag-o-matic + +DESCRIPTION="The protein secondary structure standard" +HOMEPAGE="http://swift.cmbi.ru.nl/gv/dssp/" +#SRC_URI="ftp://ftp.cmbi.ru.nl/pub/molbio/software/dsspcmbi.tar.gz" +SRC_URI="${P}cmbi.tar.gz" + +LICENSE="free-noncomm" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="" +RESTRICT="fetch" + +S="${WORKDIR}"/${PN} + +pkg_nofetch() { + elog "Download ftp://ftp.cmbi.ru.nl/pub/molbio/software/dsspcmbi.tar.gz --" + elog "Rename it to ${A} and place it in ${DISTDIR}" +} + +src_prepare() { + cp "${FILESDIR}"/Makefile . + append-flags -DGCC +} + +src_compile() { + emake CC="$(tc-getCC)" || die +} + +src_install() { + dobin dssp || die + dodoc README.TXT || die + dohtml index.html || die +} + +pkg_postinst() { + elog "Go to ${HOMEPAGE} and return the license agreement." + elog "One of its requirements is citing the article:" + elog "Kabsch, W. & Sander, C. Biopolymers 22:2577-2637 (1983)." +} diff --git a/sci-chemistry/dssp/files/Makefile b/sci-chemistry/dssp/files/Makefile new file mode 100644 index 000000000000..575202ebbe2d --- /dev/null +++ b/sci-chemistry/dssp/files/Makefile @@ -0,0 +1,7 @@ +#OBJ = AccSurf.o CalcAccSurf.o Contacts.o Date.o Dssp.o DsspCMBI.o p2clib.o Vector.o +OBJ = AccSurf.o CalcAccSurf.o Contacts.o Date.o DsspCMBI.o p2clib.o Vector.o + +LIBS = -lm + +dssp: $(OBJ) + $(CC) $(CFLAGS) $(LDFLAGS) -o $@ $(OBJ) $(LIBS) diff --git a/sci-chemistry/dssp/metadata.xml b/sci-chemistry/dssp/metadata.xml new file mode 100644 index 000000000000..c6856dc7f2cf --- /dev/null +++ b/sci-chemistry/dssp/metadata.xml @@ -0,0 +1,8 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> +<herd>sci</herd> +<maintainer> + <email>jlec@gentoo.org</email> +</maintainer> +</pkgmetadata> |