From 37d77f4d6250277c494aa6353f3cebe49db2e900 Mon Sep 17 00:00:00 2001
From: Alexey Shvetsov <alexxy@gentoo.org>
Date: Fri, 29 Jun 2018 00:28:09 +0300
Subject: sci-chemistry/mdtraj: Initial import

Package-Manager: Portage-2.3.41, Repoman-2.3.9
---
 sci-chemistry/mdtraj/Manifest            |  1 +
 sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild | 34 ++++++++++++++++++++++++++++++++
 sci-chemistry/mdtraj/metadata.xml        |  8 ++++++++
 3 files changed, 43 insertions(+)
 create mode 100644 sci-chemistry/mdtraj/Manifest
 create mode 100644 sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild
 create mode 100644 sci-chemistry/mdtraj/metadata.xml

(limited to 'sci-chemistry')

diff --git a/sci-chemistry/mdtraj/Manifest b/sci-chemistry/mdtraj/Manifest
new file mode 100644
index 000000000000..982cdea3569f
--- /dev/null
+++ b/sci-chemistry/mdtraj/Manifest
@@ -0,0 +1 @@
+DIST mdtraj-1.9.1.tar.gz 1985711 BLAKE2B 625b7c1da998bd46732604dcc93c76f970f3c79f10e81aa9f4b3051ee45101efea8afd803d539ba1831dac3e7ed208d7c3773f74189a3887063cbff2b4d79df6 SHA512 015d9d1e258a7a207ac3b7e7a81b87c308e8684ee0a173ae9b722a90910e95e7f2ee18158c163212fae39d093b0cf397293d6e713538acb1fd20a7b70f2adc76
diff --git a/sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild b/sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild
new file mode 100644
index 000000000000..20033bd3da66
--- /dev/null
+++ b/sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild
@@ -0,0 +1,34 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_5,3_6} )
+
+inherit distutils-r1
+
+DESCRIPTION="Read, write and analyze MD trajectories with only a few lines of Python code"
+HOMEPAGE="http://mdtraj.org"
+SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="test"
+
+RDEPEND="
+	dev-python/setuptools[${PYTHON_USEDEP}]
+	dev-python/numpy[${PYTHON_USEDEP}]
+	sci-libs/scipy[${PYTHON_USEDEP}]
+	dev-python/pandas[${PYTHON_USEDEP}]
+	dev-python/pytables[${PYTHON_USEDEP}]
+	dev-python/networkx[${PYTHON_USEDEP}]
+"
+DEPEND="${RDEPEND}
+	test? ( dev-python/nose[${PYTHON_USEDEP}] )"
+
+python_prepare() {
+	sed -e "s:re.match('build.*(mdtraj.*)', output_dir).group(1):'.':g" \
+		-i basesetup.py || die
+	distutils-r1_python_prepare_all
+}
\ No newline at end of file
diff --git a/sci-chemistry/mdtraj/metadata.xml b/sci-chemistry/mdtraj/metadata.xml
new file mode 100644
index 000000000000..8425c0d53cb0
--- /dev/null
+++ b/sci-chemistry/mdtraj/metadata.xml
@@ -0,0 +1,8 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+  <maintainer type="project">
+    <email>sci@gentoo.org</email>
+    <name>Gentoo Science Project</name>
+  </maintainer>
+</pkgmetadata>
-- 
cgit v1.2.3-65-gdbad