summaryrefslogtreecommitdiff
blob: e6354fb05f9230dd1c5b529b9534d73deb946276 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2

EAPI=7

PYTHON_COMPAT=( python3_{7..10} )

if [[ ${PV} = *9999* ]]; then
	scm_eclass=git-r3
	EGIT_REPO_URI="https://github.com/Becksteinlab/${PN}.git"
	EGIT_BRANCH="develop"
	SRC_URI=""
else
	scm_eclass=vcs-snapshot
	SRC_URI="https://github.com/Becksteinlab/${PN}/archive/release-${PV}.tar.gz -> ${P}.tar.gz"
	KEYWORDS="~amd64 ~x86"
fi

inherit distutils-r1 ${scm_eclass}

DESCRIPTION="Python framework for Gromacs"
HOMEPAGE="https://gromacswrapper.readthedocs.io"

LICENSE="GPL-3 LGPL-3"
SLOT="0"
IUSE=""

RDEPEND="
	dev-python/six[${PYTHON_USEDEP}]
	dev-python/numpy[${PYTHON_USEDEP}]
	dev-python/matplotlib[${PYTHON_USEDEP}]
	sci-libs/numkit[${PYTHON_USEDEP}]
"
BDEPEND="
	${RDEPEND}
	test? ( >=dev-python/pandas-0.17[${PYTHON_USEDEP}] )
"

distutils_enable_tests pytest

PATCHES=(
	# https://github.com/Becksteinlab/GromacsWrapper/issues/182
	"${FILESDIR}"/${P}-tests-package.patch
)