Version bump.

Package-Manager: portage-2.1.2.2

diff --git a/sci-chemistry/pdb2pqr/ChangeLog b/sci-chemistry/pdb2pqr/ChangeLog
index af156a72eea0a58693c66d01a8fc5a7894a986cd..0bbe7955cf553a0782473910900bcd8712b5d5cd 100644 (file)
--- 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 <je_fro@gentoo.org> +pdb2pqr-1.2.1.ebuild:
+  Version bump.
 
   06 Feb 2007; Simon Stelling <blubb@gentoo.org> pdb2pqr-1.1.2.ebuild:
   stable on amd64; bug 162012

diff --git a/sci-chemistry/pdb2pqr/Manifest b/sci-chemistry/pdb2pqr/Manifest
index 8878978dee05f88c91ccc7efac5185b7da8e121a..f4dd931649e0d42de3373f69c1708f40d1c45f6e 100644 (file)
--- 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 (file)
index 0000000..420660b
--- /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 (file)
index 0000000..f5500a3
--- /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."
+}
+