diff options
Diffstat (limited to 'sci-chemistry/mdtraj')
| -rw-r--r-- | sci-chemistry/mdtraj/Manifest | 3 | ||||
| -rw-r--r-- | sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild | 34 | ||||
| -rw-r--r-- | sci-chemistry/mdtraj/metadata.xml | 8 |
3 files changed, 45 insertions, 0 deletions
diff --git a/sci-chemistry/mdtraj/Manifest b/sci-chemistry/mdtraj/Manifest new file mode 100644 index 000000000000..d4b7e143cac0 --- /dev/null +++ b/sci-chemistry/mdtraj/Manifest @@ -0,0 +1,3 @@ +DIST mdtraj-1.9.1.tar.gz 1985711 BLAKE2B 625b7c1da998bd46732604dcc93c76f970f3c79f10e81aa9f4b3051ee45101efea8afd803d539ba1831dac3e7ed208d7c3773f74189a3887063cbff2b4d79df6 SHA512 015d9d1e258a7a207ac3b7e7a81b87c308e8684ee0a173ae9b722a90910e95e7f2ee18158c163212fae39d093b0cf397293d6e713538acb1fd20a7b70f2adc76 +EBUILD mdtraj-1.9.1.ebuild 889 BLAKE2B fd2423ca08f4666101c409c52be19c717d222c19da08424c2923e91bb9ad6961c64b3fb97a6b71e1d5a9a9cd568f0325510943c388c35c59049f4597ce0cca02 SHA512 61c0a2351c18155aec9bf5fcd6a3f7b2e319c096f493866f94789b11bfbef4a6bbfe849a111acad74503bb30d327c10e15b34338f752763f77e3033b2e287680 +MISC metadata.xml 259 BLAKE2B dfc879984b6adce945d0e0a50f6ede2bca87147b9db99491359cdeccc2e74a20d56e14ae8903dbb80c94854f89bee539f14a4e3ce864204e277accf3f124a748 SHA512 19fb78cf4029c154954a40df40e28fc8d98a8b7e6b42f97259f664d44c29b284feffb9d073cadc7f90b5654a64b2466e186cb677d3a11830206f173eb9057706 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..2ac95db2c57d --- /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 +} 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> |