[gentoo-commits] gentoo-x86 commit in sci-chemistry/mmtk: metadata.xml ChangeLog mmtk-2.7.5.ebuild Manifest

[gentoo-commits] gentoo-x86 commit in sci-chemistry/mmtk: metadata.xml ChangeLog mmtk-2.7.5.ebuild Manifest

[Justin Lecher (jlec)]

jlec        12/03/21 11:45:27

  Added:                metadata.xml ChangeLog mmtk-2.7.5.ebuild Manifest
  Log:
  Initital addition, written by me
  
  (Portage version: 2.2.0_alpha93/cvs/Linux x86_64)

Revision  Changes    Path
1.1                  sci-chemistry/mmtk/metadata.xml

file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/mmtk/metadata.xml?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/mmtk/metadata.xml?rev=1.1&content-type=text/plain

Index: metadata.xml
===================================================================
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
	<herd>sci-chemistry</herd>
	<maintainer>
		<email>jlec@gentoo.org</email>
	</maintainer>
	<longdescription>
The Molecular Modelling Toolkit (MMTK) is an Open Source program library for 
molecular simulation applications. In addition to providing ready-to-use 
implementations of standard algorithms, MMTK serves as a code basis that can be
easily extended and modified to deal with standard and non-standard problems 
in molecular simulations.

The three most common usage patterns of MMTK are

Writing Python scripts that make use of MMTK functions for standard simulation 
and modelling applications. This is similar to using other simulation packages 
with a scripting language (i.e. CHARMM or Gromos), but with the added 
advantage of having access to lots of useful Python modules from elsewhere. 
The example section shows what such scripts look like.
Writing modules that interact closely with MMTK (and perhaps other packages) 
to solve problems for which no standard solution exists. For example, adding 
a particular force field term or a particular simulation or analysis 
algorithm. There is not much competition for MMTK in that domain.
Writing application programs in Python that use MMTK internally, for users that 
do not need to know anything about such internals. Those programs can provide 
easy-to-use graphical interfaces (see e.g. DomainFinder and nMOLDYN) or be 
integrated into a Web service (see e.g. WEBnm@).
</longdescription>
</pkgmetadata>



1.1                  sci-chemistry/mmtk/ChangeLog

file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/mmtk/ChangeLog?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/mmtk/ChangeLog?rev=1.1&content-type=text/plain

Index: ChangeLog
===================================================================
# ChangeLog for sci-chemistry/mmtk
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mmtk/ChangeLog,v 1.1 2012/03/21 11:45:27 jlec Exp $

*mmtk-2.7.5 (21 Mar 2012)

  21 Mar 2012; Justin Lecher <jlec@gentoo.org> +mmtk-2.7.5.ebuild,
  +metadata.xml:
  Initital addition, written by me




1.1                  sci-chemistry/mmtk/mmtk-2.7.5.ebuild

file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/mmtk/mmtk-2.7.5.ebuild?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/mmtk/mmtk-2.7.5.ebuild?rev=1.1&content-type=text/plain

Index: mmtk-2.7.5.ebuild
===================================================================
# Copyright 1999-2012 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mmtk/mmtk-2.7.5.ebuild,v 1.1 2012/03/21 11:45:27 jlec Exp $

EAPI=4

PYTHON_DEPEND="2"
SUPPORT_PYTHON_ABIS="1"
RESTRICT_PYTHON_ABIS="3.* 2.7-pypy-*"

inherit distutils

DL_ID=3794
MY_PN=MMTK
MY_P=${MY_PN}-${PV}

PYTHON_MODNAME="${MY_PN}"

DESCRIPTION="The Molecular Modelling Toolkit"
HOMEPAGE="http://dirac.cnrs-orleans.fr/MMTK/"
SRC_URI="https://sourcesup.cru.fr/frs/download.php/${DL_ID}/${MY_P}.tar.gz"

SLOT="0"
LICENSE="CeCILL-2"
KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
IUSE=""

RDEPEND="
	dev-python/numpy
	dev-python/scientificpython"
DEPEND="${RDEPEND}"

S="${WORKDIR}"/${MY_P}



1.1                  sci-chemistry/mmtk/Manifest

file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/mmtk/Manifest?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/mmtk/Manifest?rev=1.1&content-type=text/plain

Index: Manifest
===================================================================
DIST MMTK-2.7.5.tar.gz 1269533 RMD160 2fb4a020147c1ffed785a0b471128736c46fa2a4 SHA1 b4f274e6c5472f4450120278789c5e382db4007e SHA256 34cb5636643805d52903a58a96215bf81b3229bfb34cac754a3d715aadad3dfe
EBUILD mmtk-2.7.5.ebuild 654 RMD160 2158c94bbc50e6ef2fda1744e7ea9a0a66a1f00e SHA1 4818ee4d0454bd3a4fa4cb16814c9eff87703883 SHA256 a940fa0c524829d620cf594aea8a91df1e6769884443cec59b7f59ff56663c4e
MISC ChangeLog 266 RMD160 297d9569e7fd54567daabc219ce9745b431d40e8 SHA1 21c05145bf8860a63652b2f3137fc79786bb6749 SHA256 0dd808f2798ddfe5b0aa36085976e2fe58dd1c85d6a6c6317a12cbed0ae21a52
MISC metadata.xml 1594 RMD160 581de42c25d70aa895e34434a26f3bc789aaa048 SHA1 243063e2316d89024e33ec518209b8070a00b4d4 SHA256 0631937d92098d7e70451b5aec324fccba7be5538fe4e8fec3e7bd446c8529f1