1 files changed, 37 insertions, 0 deletions
diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild b/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild
new file mode 100644
index 000000000000..aee4e82b683e
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild
@@ -0,0 +1,37 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{8..10} )
+
+inherit distutils-r1
+
+DESCRIPTION="A python library to analyze and manipulate molecular dynamics trajectories"
+HOMEPAGE="https://www.mdanalysis.org"
+SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+
+# TODO: fix this
+# ImportError: MDAnalysis not installed properly. This can happen if your C extensions have not been built.
+RESTRICT="test"
+
+RDEPEND="
+	>=dev-python/numpy-1.16.0[${PYTHON_USEDEP}]
+	>=dev-python/scipy-1.0.0[${PYTHON_USEDEP}]
+	>=sci-biology/biopython-1.71[${PYTHON_USEDEP}]
+	>=dev-python/networkx-1.0[${PYTHON_USEDEP}]
+	>=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}]
+	>=dev-python/joblib-0.12[${PYTHON_USEDEP}]
+	>=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}]
+	>=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}]
+	>=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}]
+	>=dev-python/gsd-1.9.3[${PYTHON_USEDEP}]
+	dev-python/threadpoolctl[${PYTHON_USEDEP}]
+"
+BDEPEND="${RDEPEND}"
+
+distutils_enable_tests nose