From 49530279206b1e4f09b816cc84798895cd9d887f Mon Sep 17 00:00:00 2001 From: Jeffrey Gardner Date: Tue, 3 Apr 2007 15:54:17 +0000 Subject: [PATCH] Version bump. Package-Manager: portage-2.1.2.2 --- sci-chemistry/pdb2pqr/ChangeLog | 7 +- sci-chemistry/pdb2pqr/Manifest | 16 +++-- .../pdb2pqr/files/digest-pdb2pqr-1.2.1 | 3 + sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild | 68 +++++++++++++++++++ 4 files changed, 89 insertions(+), 5 deletions(-) create mode 100644 sci-chemistry/pdb2pqr/files/digest-pdb2pqr-1.2.1 create mode 100644 sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild diff --git a/sci-chemistry/pdb2pqr/ChangeLog b/sci-chemistry/pdb2pqr/ChangeLog index af156a72eea0..0bbe7955cf55 100644 --- a/sci-chemistry/pdb2pqr/ChangeLog +++ b/sci-chemistry/pdb2pqr/ChangeLog @@ -1,6 +1,11 @@ # ChangeLog for sci-chemistry/pdb2pqr # Copyright 1999-2007 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.9 2007/02/06 13:48:56 blubb Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.10 2007/04/03 15:54:17 je_fro Exp $ + +*pdb2pqr-1.2.1 (03 Apr 2007) + + 03 Apr 2007; Jeff Gardner +pdb2pqr-1.2.1.ebuild: + Version bump. 06 Feb 2007; Simon Stelling pdb2pqr-1.1.2.ebuild: stable on amd64; bug 162012 diff --git a/sci-chemistry/pdb2pqr/Manifest b/sci-chemistry/pdb2pqr/Manifest index 8878978dee05..f4dd931649e0 100644 --- a/sci-chemistry/pdb2pqr/Manifest +++ b/sci-chemistry/pdb2pqr/Manifest @@ -15,14 +15,19 @@ MD5 3700078df26942f1b406cb767bfd9f97 files/pdb2pqr-propka-gentoo.patch 383 RMD160 aba20c68558d3131b9f04b4188c70e42611f013e files/pdb2pqr-propka-gentoo.patch 383 SHA256 5f75dfd2a72861b46685568ea6c55be0ed055ab5d72d231e328f7f482252101a files/pdb2pqr-propka-gentoo.patch 383 DIST pdb2pqr-1.1.2.tar.gz 653600 RMD160 40510384a6b03213d6c857a270d508d4bbefa884 SHA1 89ae9b50e64fc3bbd2a868af01da708fb3f45395 SHA256 ea45ec40b420044e5c7a11744a5db867c544b93d25a8bccf27ebac43cd7d6f94 +DIST pdb2pqr-1.2.1.tar.gz 2090993 RMD160 647aa616703208f81396917b805be1daf3adf180 SHA1 8ff7423fe42dbd86db62227c8d729dfc9a3ee7dd SHA256 d05d6ae084c689f3873b8ab68fb7285863d57125ecbe8def14de879430d753d7 EBUILD pdb2pqr-1.1.2.ebuild 1875 RMD160 93b419bed4162bddfdad84a0bfee81a1c2319616 SHA1 44c18134a58f97d7c4b0a6946efd69254b1d1ee0 SHA256 51873a408a3434e086e8e40b7560524a9ceff69aebef2573e4c3bf55e7ad77c1 MD5 5b9a59b36f48535aa5c53653a5c4281f pdb2pqr-1.1.2.ebuild 1875 RMD160 93b419bed4162bddfdad84a0bfee81a1c2319616 pdb2pqr-1.1.2.ebuild 1875 SHA256 51873a408a3434e086e8e40b7560524a9ceff69aebef2573e4c3bf55e7ad77c1 pdb2pqr-1.1.2.ebuild 1875 -MISC ChangeLog 1485 RMD160 def26416a30f09cbb2af33cf367e96100f4ecf51 SHA1 8e21337f15d4a88b8380b01ea1a767df39938262 SHA256 95d936176724aad985341f3d0569637c2dc28f890c9ae6889e8c30973fc071de -MD5 8d48a3b357f0d2cb427723417bf83585 ChangeLog 1485 -RMD160 def26416a30f09cbb2af33cf367e96100f4ecf51 ChangeLog 1485 -SHA256 95d936176724aad985341f3d0569637c2dc28f890c9ae6889e8c30973fc071de ChangeLog 1485 +EBUILD pdb2pqr-1.2.1.ebuild 1743 RMD160 a86e1e82d9c1697172812aea2b46da67bd3eeb37 SHA1 e315993d7e2a7b9765007f6cfd7bebc2dcab1de5 SHA256 7a8f718d228b51756697912021ea5ab2f3450ac8164c98cfdd723e6fa6e83ead +MD5 d2e37903da31694faff836074f31158f pdb2pqr-1.2.1.ebuild 1743 +RMD160 a86e1e82d9c1697172812aea2b46da67bd3eeb37 pdb2pqr-1.2.1.ebuild 1743 +SHA256 7a8f718d228b51756697912021ea5ab2f3450ac8164c98cfdd723e6fa6e83ead pdb2pqr-1.2.1.ebuild 1743 +MISC ChangeLog 1605 RMD160 1ee48b550e20354888ec2d7a7d098836629eaa64 SHA1 724fef7075025526004e23774a93c861ed4a29c2 SHA256 9f23ff6d9a1f0f6ff43190594f7bf90eab01471aa2acda0fc6c3c98e3dcd8a3a +MD5 f88bc0ca05b8b2d75595e75397707f96 ChangeLog 1605 +RMD160 1ee48b550e20354888ec2d7a7d098836629eaa64 ChangeLog 1605 +SHA256 9f23ff6d9a1f0f6ff43190594f7bf90eab01471aa2acda0fc6c3c98e3dcd8a3a ChangeLog 1605 MISC metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 SHA1 cb0b513473c0348f4f6f6cd9a132e4884155fddb SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852 MD5 43628e9f5743b5c3b018a82669a76bc7 metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 metadata.xml 166 @@ -30,3 +35,6 @@ SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852 metadata MD5 81f7d39024c32ceff1cda274993ace06 files/digest-pdb2pqr-1.1.2 241 RMD160 043e9c03c065830075fec6a4b561282371f0eb9c files/digest-pdb2pqr-1.1.2 241 SHA256 362b2c4e1ec25dd3971cef2e00039728697329cecef2432a7e19bd6b2bd6ba62 files/digest-pdb2pqr-1.1.2 241 +MD5 48e09b52c7d68766ce425ccd6ba4fb5c files/digest-pdb2pqr-1.2.1 244 +RMD160 b97aadd6a30625712d63e33cda722b5a89be0c65 files/digest-pdb2pqr-1.2.1 244 +SHA256 ddc895706656a417236e919a2345a2a673955bf207a0256043553a0cc5b02609 files/digest-pdb2pqr-1.2.1 244 diff --git a/sci-chemistry/pdb2pqr/files/digest-pdb2pqr-1.2.1 b/sci-chemistry/pdb2pqr/files/digest-pdb2pqr-1.2.1 new file mode 100644 index 000000000000..420660b2a588 --- /dev/null +++ b/sci-chemistry/pdb2pqr/files/digest-pdb2pqr-1.2.1 @@ -0,0 +1,3 @@ +MD5 8e38f912c7a63596b2bb5f9632b1b5c2 pdb2pqr-1.2.1.tar.gz 2090993 +RMD160 647aa616703208f81396917b805be1daf3adf180 pdb2pqr-1.2.1.tar.gz 2090993 +SHA256 d05d6ae084c689f3873b8ab68fb7285863d57125ecbe8def14de879430d753d7 pdb2pqr-1.2.1.tar.gz 2090993 diff --git a/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild b/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild new file mode 100644 index 000000000000..f5500a30a3a5 --- /dev/null +++ b/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild @@ -0,0 +1,68 @@ +# Copyright 1999-2007 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild,v 1.1 2007/04/03 15:54:17 je_fro Exp $ + +inherit eutils fortran multilib flag-o-matic distutils + +DESCRIPTION="pdb2pqr is an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations" +LICENSE="GPL-2" +HOMEPAGE="http://pdb2pqr.sourceforge.net/" +SRC_URI="mirror://sourceforge/${PN}/${P}.tar.gz" + +SLOT="0" +IUSE="" +KEYWORDS="~amd64 ~x86" + +DEPEND="dev-lang/python" + +FORTRAN="g77 gfortran" + +src_compile() { + econf || die "econf failed" + emake || die "emake failed" +} + +src_install() { + python_version + INPATH="/usr/$(get_libdir)/python${PYVER}/site-packages/${PN}" + + insinto "${INPATH}" + doins __init__.py || \ + die "Setting up the pdb2pqr site-package failed." + + exeinto "${INPATH}" + doexe ${PN}.py || die "Installing pdb2pqr failed." + + exeinto "${INPATH}"/propka + doexe propka/_propkalib.so || \ + die "Failed to install propka." + + exeinto "${INPATH}"/extensions + doexe extensions/* || \ + die "Failed to install extensions." + + insinto "${INPATH}"/propka + doins propka/propkalib.py propka/__init__.py || \ + die "Failed to install propka." + + insinto "${INPATH}"/src + doins src/* || die "Installing of python scripts failed." + + insinto "${INPATH}"/dat + doins dat/* || die "Installing data failed." + + # generate pdb2pqr wrapper + cat >> "${T}"/${PN} << EOF +#!/bin/sh +${python} ${INPATH}/${PN}.py \$* +EOF + + exeinto /usr/bin + doexe ${T}/${PN} || die "Failed to install pdb2pqr wrapper." + + + dodoc ChangeLog NEWS README AUTHORS || \ + die "Failed to install docs" + dohtml -r doc/* || die "Failed to install html docs." +} + -- 2.26.2