[gentoo-commits] proj/sci:master commit in: sci-chemistry/acpype/files/, sci-chemistry/acpype/

[Alexey Shvetsov]

commit:     fee71a03c5435e8d0f9dbf4161e91f74da940bff
Author:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Fri Jul 29 08:28:47 2011 +0000
Commit:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Fri Jul 29 08:28:47 2011 +0000
URL:        http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=fee71a03

Moved to tree

---
 sci-chemistry/acpype/acpype-366.ebuild  |   38 -------------------------------
 sci-chemistry/acpype/files/acpype.patch |   37 ------------------------------
 sci-chemistry/acpype/metadata.xml       |    9 -------
 3 files changed, 0 insertions(+), 84 deletions(-)

diff --git a/sci-chemistry/acpype/acpype-366.ebuild b/sci-chemistry/acpype/acpype-366.ebuild
deleted file mode 100644
index f0babda..0000000
--- a/sci-chemistry/acpype/acpype-366.ebuild
+++ /dev/null
@@ -1,38 +0,0 @@
-# Copyright 1999-2011 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-EAPI=3
-
-inherit eutils python
-PYTHON_DEPEND="2:2.5"
-
-DESCRIPTION="AnteChamber PYthon Parser interfacE"
-HOMEPAGE="http://code.google.com/p/acpype/"
-SRC_URI="mirror://gentoo/${P}.tar.xz"
-
-LICENSE="GPL-3"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-DEPEND="sci-chemistry/ambertools"
-RDEPEND="${DEPEND}"
-
-pkg_setup() {
-	python_set_active_version 2
-	python_pkg_setup
-}
-
-src_prepare() {
-	epatch "${FILESDIR}/${PN}.patch"
-	python_convert_shebangs -r 2 .
-}
-
-src_install() {
-	newbin ${PN}.py ${PN}
-	newbin CcpnToAcpype.py CcpnToAcpype
-	dodoc NOTE.txt README.txt
-	insinto /usr/share/${PN}
-	doins -r ffamber_additions test
-}

diff --git a/sci-chemistry/acpype/files/acpype.patch b/sci-chemistry/acpype/files/acpype.patch
deleted file mode 100644
index 9354527..0000000
--- a/sci-chemistry/acpype/files/acpype.patch
+++ /dev/null
@@ -1,37 +0,0 @@
-Index: acpype.py
-===================================================================
---- acpype.py	(revision 366)
-+++ acpype.py	(working copy)
-@@ -3020,32 +3020,6 @@
-         acMol2FileName = '%s_%s_%s.mol2' % (base, chargeType, atomType)
-         self.acMol2FileName = acMol2FileName
-         self.charmmBase = '%s_CHARMM' % base
--        # check for which version of antechamber
--        if 'amber10' in self.acExe:
--            if qprog == 'sqm':
--                self.printWarn("SQM is not implemented in AmberTools 1.2")
--                self.printWarn("Setting mopac for antechamber")
--                qprog = 'mopac'
--            elif qprog == 'divcon':
--                if not os.path.exists(os.path.join(os.path.dirname(self.acExe), qprog)):
--                    self.printWarn("DIVCON is not installed")
--                    self.printWarn("Setting mopac for antechamber")
--                    qprog = 'mopac'
--        elif 'amber11' in self.acExe:
--            if qprog == 'divcon':
--                self.printWarn("DIVCON is not implemented in AmberTools 1.3 anymore")
--                self.printWarn("Setting sqm for antechamber")
--                qprog = 'sqm'
--            elif qprog == 'mopac':
--                if not os.path.exists(os.path.join(os.path.dirname(self.acExe), qprog)):
--                    self.printWarn("MOPAC is not installed")
--                    self.printWarn("Setting sqm for antechamber")
--                    return None
--                    qprog = 'sqm'
--        else:
--            self.printWarn("Old version of antechamber. Strongly consider upgrading to AmberTools")
--            self.printWarn("Setting mopac for antechamber")
--            qprog = 'mopac'
-         self.qFlag = qDict[qprog]
-         self.outTopols = [outTopol]
-         if outTopol == 'all':

diff --git a/sci-chemistry/acpype/metadata.xml b/sci-chemistry/acpype/metadata.xml
deleted file mode 100644
index b2558d8..0000000
--- a/sci-chemistry/acpype/metadata.xml
+++ /dev/null
@@ -1,9 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
-	<herd>sci-chemistry</herd>
-	<maintainer>
-		<email>alexxy@g.o</email>
-		<name>Alexey Shvetsov</name>
-	</maintainer>
-</pkgmetadata>