From ef5ecf680ba73c80128032ab031589188d49bc50 Mon Sep 17 00:00:00 2001
From: Alexey Shvetsov <alexxy@gentoo.org>
Date: Thu, 7 Mar 2019 19:00:08 +0300
Subject: sci-chemistry/gmxapi: New package

Package-Manager: Portage-2.3.62, Repoman-2.3.12
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
---
 sci-chemistry/gmxapi/Manifest              |  1 +
 sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild | 60 ++++++++++++++++++++++++++++++
 sci-chemistry/gmxapi/metadata.xml          | 12 ++++++
 3 files changed, 73 insertions(+)
 create mode 100644 sci-chemistry/gmxapi/Manifest
 create mode 100644 sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild
 create mode 100644 sci-chemistry/gmxapi/metadata.xml

diff --git a/sci-chemistry/gmxapi/Manifest b/sci-chemistry/gmxapi/Manifest
new file mode 100644
index 000000000000..7057d007aed1
--- /dev/null
+++ b/sci-chemistry/gmxapi/Manifest
@@ -0,0 +1 @@
+DIST gmxapi-0.0.7.1.tar.gz 671400 BLAKE2B 5db024bceaed262fc1bd2ef35c0c24a31eff12abde7766ba0eea9d5aabe04c435cdf3c79c04d7932f2110de837a0d06e1f66239f22ba6f313410ed8c9d899788 SHA512 4103d67be3c869907613ec74fc46f14b15242ad93a973fc984dbb25e79bb0bb697d9d2ad9b67a8da2500e5a89b8f78ea1ef1632455af29830e11c2bf1f11bc44
diff --git a/sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild b/sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild
new file mode 100644
index 000000000000..babdf4029762
--- /dev/null
+++ b/sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild
@@ -0,0 +1,60 @@
+# Copyright 2019 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+MAKE_MAKEFILE_GENERATOR="ninja"
+
+PYTHON_COMPAT=( python2_7 python3_{4,5,6} )
+
+inherit cmake-utils python-r1
+
+DESCRIPTION="Gromacs API bindings"
+HOMEPAGE="https://github.com/kassonlab/gmxapi"
+SRC_URI="https://github.com/kassonlab/gmxapi/archive/v${PV}.tar.gz -> ${P}.tar.gz"
+
+LICENSE="LGPL-2.1"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+DEPEND="
+	${PYTHON_DEPS}
+	>=sci-chemistry/gromacs-2019:="
+RDEPEND="
+	${DEPEND}
+	sci-libs/scikits[${PYTHON_USEDEP}]
+	dev-python/networkx[${PYTHON_USEDEP}]
+"
+BDEPEND=""
+
+src_configure() {
+	my_impl_src_configure() {
+		local mycmakeargs=(
+			-DCMAKE_STRIP="${EPREFIX}/bin/true"
+			-DCMAKE_INSTALL_PREFIX="${ED%/}/usr"
+			-DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
+			-DGMXAPI_INSTALL_PATH="${EPREFIX}/usr/$(get_libdir)/${EPYTHON}/site-packages/gmx"
+		)
+
+		cmake-utils_src_configure
+	}
+
+	python_foreach_impl my_impl_src_configure
+}
+
+src_compile() {
+	python_foreach_impl cmake-utils_src_make
+}
+
+src_install() {
+	my_impl_src_install() {
+		cd "${BUILD_DIR}" || die
+		cmake-utils_src_install
+		python_optimize
+	}
+
+	python_foreach_impl my_impl_src_install
+}
diff --git a/sci-chemistry/gmxapi/metadata.xml b/sci-chemistry/gmxapi/metadata.xml
new file mode 100644
index 000000000000..7daa2ce7e5f8
--- /dev/null
+++ b/sci-chemistry/gmxapi/metadata.xml
@@ -0,0 +1,12 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+	<maintainer type="person">
+		<email>alexxy@gentoo.org</email>
+		<name>Alexey Shvetsov</name>
+	</maintainer>
+	<maintainer type="project">
+		<email>sci-chemistry@gentoo.org</email>
+		<name>Gentoo Chemistry Project</name>
+	</maintainer>
+</pkgmetadata>
-- 
cgit v1.2.3-65-gdbad