Initital addition, written by me

Package-Manager: portage-2.2.0_alpha93/cvs/Linux x86_64

5 files changed, 94 insertions, 4 deletions

diff --git a/sci-chemistry/aria/Manifest b/sci-chemistry/aria/Manifest
index cd995f46c718..48094de8caa0 100644
--- a/sci-chemistry/aria/Manifest
+++ b/sci-chemistry/aria/Manifest
@@ -2,19 +2,21 @@
 Hash: SHA512
 
 AUX aria-2.3.2-python.patch 963 RMD160 a59437b4e83c211ac1298fc0f08c444d7c4806dc SHA1 ba8142cd4f676225ddb802814f2acd7e243121a8 SHA256 87f5f27484eddb6ce47fab2a2df6da15fa37cdef24c39e3da7b93555a22e512d
+AUX aria-2.3.2-through-space-2.patch 6049 RMD160 7b3984ac5373202b35238a9edc164af64a25c0fd SHA1 2059e736024f88731be506cdb5ed4a38b69015b6 SHA256 585c963b5b918865175208c44ca256b23062423c9a8111506111fd04e6ac405e
 AUX aria-2.3.2-through-space.patch 5040 RMD160 b4f80987195d45bf956b2dbd8084b4a3a6e0b5e3 SHA1 717d1ff0034d675509d27365806ae81f82157e2d SHA256 99c547ad5fb85401c39187b9a708fc7332c36be6e467bd834cb551a723fd84fb
 DIST aria2.3.1.tar.gz 1833973 RMD160 f2ee0bfc7e3164b5c34c81abb74256c5d76f53d7 SHA1 b257094bdaf6ba5b64645b8251d9243654e6d0fc SHA256 cc45ed2d66182cf0ee197a7cf3bc7edd8d5043d95cdcd19e1cec9aeb82c2fdbc
 DIST aria2.3.2.tar.gz 1836270 RMD160 cd96f19c7a229694d561824dcca9ee22845c6a4f SHA1 74fc1cb6640b2a3f97851ac88042023f1a9c07ce SHA256 30727ea8bdc2e3b44e5970545008fcfa07fa59aa28b76824956a2aa71daa9615
 EBUILD aria-2.3.1.ebuild 2022 RMD160 e176a7b25c8d06287c91bb2c4d97f0d160dcc6d5 SHA1 28677a59f666d2ec9173ae86cfac37bc4a76f719 SHA256 0a83e234e39fbff3ffa65f21df768b7e0fea23ac13ad17008ab72e6103e3c96d
 EBUILD aria-2.3.2-r1.ebuild 2091 RMD160 441211d98653e9e08ef2794208ee23f94492b821 SHA1 2b2c0fd51bf23c84a00000ba8a43fabda25cf1e0 SHA256 e571030ad00d304613f3bdce32a578ee850735cdaccc591bec1e686afaf21292
 EBUILD aria-2.3.2-r2.ebuild 2131 RMD160 02922d3d831aa7dbe7804624e644fddf2ac826a4 SHA1 7df4de9b931467177905912ad870449da4f717db SHA256 6de02f396ba98c2eeec1cfbe3f10744db95f6287a965c100b401eeb70e8683be
+EBUILD aria-2.3.2-r3.ebuild 2133 RMD160 ff4cf6d5668c4a03d5bb9a51c546dddd60a08464 SHA1 33a1bcd4a4d14e96d979b876957a8fbd0b55eb47 SHA256 b8dfdbc232e944c154bcc7799db36e490f7e22cac7e2d0a54e9e28feb2103a29
 EBUILD aria-2.3.2.ebuild 2022 RMD160 f17276f2346ef63e9fbd25145f9fb26d85113018 SHA1 180e90a7f4e92d7a47d0a428bccd0155bcf002cf SHA256 738fa89aff5df458c4c61a64dd6e8ad839fdd43df50c141a34d6750f4055ebd9
-MISC ChangeLog 1761 RMD160 d399961264b4acad93ff23d762947619f4f0daa8 SHA1 e033627d03f58e49b1cd7040326d71970b7c5a79 SHA256 df9abc63528bb73e51a5d826ae6cfb82ebfcabc11a75632144716f7d80f4ed39
+MISC ChangeLog 2013 RMD160 5e9f62914b145a0b10268fcbc401cd1bed24ecb6 SHA1 029c36e752214db3a50e3db689c5f8b13792015f SHA256 621db8a51e4733e3cd83fc65edf825c6165f291deed93bc79cd1987c11590740
 MISC metadata.xml 219 RMD160 e9da2d4271f89b9dbac478d145a519318f0f3314 SHA1 6d4a101013d6a40cd61cb2d8c6b517c443013bc7 SHA256 0be94b46df4c9a73494034f33b1371769951f52890e5c857ebe1dc9bc729d0a8
 -----BEGIN PGP SIGNATURE-----
 Version: GnuPG v2.0.18 (GNU/Linux)
 
-iEYEAREKAAYFAk6UUZsACgkQgAnW8HDreRamsQCeMMtBVlxqygIM4LJJS4eUNac5
-OV0Ani7z37OY7Vo9+kDzA8DZEoP/nXMv
-=lzQM
+iEYEAREKAAYFAk9pwAkACgkQgAnW8HDreRYs/wCffl8VkCr3Qgr9HySmxvbz5yyi
+DsUAn1PAKuqW7/Lz38KMCjaMrxj3zZ4/
+=34OR
 -----END PGP SIGNATURE-----
diff --git a/sci-chemistry/mmtk/ChangeLog b/sci-chemistry/mmtk/ChangeLog
new file mode 100644
index 000000000000..86ee80320efb
--- /dev/null
+++ b/sci-chemistry/mmtk/ChangeLog
@@ -0,0 +1,10 @@
+# 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
+
diff --git a/sci-chemistry/mmtk/Manifest b/sci-chemistry/mmtk/Manifest
new file mode 100644
index 000000000000..40def06de686
--- /dev/null
+++ b/sci-chemistry/mmtk/Manifest
@@ -0,0 +1,14 @@
+-----BEGIN PGP SIGNED MESSAGE-----
+Hash: SHA512
+
+DIST MMTK-2.7.5.tar.gz 1269533 RMD160 2fb4a020147c1ffed785a0b471128736c46fa2a4 SHA1 b4f274e6c5472f4450120278789c5e382db4007e SHA256 34cb5636643805d52903a58a96215bf81b3229bfb34cac754a3d715aadad3dfe
+EBUILD mmtk-2.7.5.ebuild 750 RMD160 da809685ba3b356971301b24844adfbd2807161c SHA1 dd232d0d7d43fbaea95ee3a1c7d96d8bb41429e2 SHA256 afd97f1d0e46aff4f8d19433756f835088f7fda1c701ac26321703f562821ca3
+MISC ChangeLog 354 RMD160 d1f547c678931b300f9255888c90290bb789515e SHA1 15bdf4335b61e805e2b2b92ad68f40490800253c SHA256 ac65943f42ede4434ba85b41c73a6f5f10b2fa3a3a7b5bda4bf3de70772ec450
+MISC metadata.xml 1594 RMD160 581de42c25d70aa895e34434a26f3bc789aaa048 SHA1 243063e2316d89024e33ec518209b8070a00b4d4 SHA256 0631937d92098d7e70451b5aec324fccba7be5538fe4e8fec3e7bd446c8529f1
+-----BEGIN PGP SIGNATURE-----
+Version: GnuPG v2.0.18 (GNU/Linux)
+
+iEYEAREKAAYFAk9pv1wACgkQgAnW8HDreRaObQCgol6EU8OYo7FgnBQjlXAZrwTc
+bjMAn2X6blS8vglJfS20ABd224Dq1iNO
+=mkot
+-----END PGP SIGNATURE-----
diff --git a/sci-chemistry/mmtk/metadata.xml b/sci-chemistry/mmtk/metadata.xml
new file mode 100644
index 000000000000..17d378df8960
--- /dev/null
+++ b/sci-chemistry/mmtk/metadata.xml
@@ -0,0 +1,31 @@
+<?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>
diff --git a/sci-chemistry/mmtk/mmtk-2.7.5.ebuild b/sci-chemistry/mmtk/mmtk-2.7.5.ebuild
new file mode 100644
index 000000000000..5a0b10ce64a1
--- /dev/null
+++ b/sci-chemistry/mmtk/mmtk-2.7.5.ebuild
@@ -0,0 +1,33 @@
+# 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}