sci-chemistry/mdtraj: Bump to 1.9.4

Closes: https://bugs.gentoo.org/711696
Closes: https://bugs.gentoo.org/718478
Package-Manager: Portage-2.3.100, Repoman-2.3.22
Signed-off-by: Pacho Ramos <pacho@gentoo.org>

1 files changed, 43 insertions, 0 deletions

diff --git a/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild b/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild
new file mode 100644
index 000000000000..5537daa6a536
--- /dev/null
+++ b/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild
@@ -0,0 +1,43 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+PYTHON_COMPAT=( python3_{6,7} )
+DISTUTILS_USE_SETUPTOOLS=rdepend
+
+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}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+RDEPEND="
+	dev-python/astor[${PYTHON_USEDEP}]
+	dev-python/numpy[${PYTHON_USEDEP}]
+	dev-python/pandas[${PYTHON_USEDEP}]
+	dev-python/pytables[${PYTHON_USEDEP}]
+	dev-python/networkx[${PYTHON_USEDEP}]
+	sci-libs/scipy[${PYTHON_USEDEP}]
+"
+DEPEND="${RDEPEND}
+	test? (
+		dev-python/jupyter_client[${PYTHON_USEDEP}]
+		dev-python/nbformat[${PYTHON_USEDEP}]
+	)
+"
+
+distutils_enable_tests pytest
+
+# Tests fail (in previous ebuild versions they weren't even run
+RESTRICT="test"
+
+python_prepare() {
+	sed -e "s:re.match('build.*(mdtraj.*)', output_dir).group(1):'.':g" \
+		-i basesetup.py || die
+	distutils-r1_python_prepare_all
+}