sci-chemistry/gmxapi: New package

Package-Manager: Portage-2.3.62, Repoman-2.3.12
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>

diff --git a/sci-chemistry/gmxapi/Manifest b/sci-chemistry/gmxapi/Manifest
new file mode 100644 (file)
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+++ b/sci-chemistry/gmxapi/Manifest
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+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 (file)
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+++ b/sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild
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+# 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 (file)
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+++ b/sci-chemistry/gmxapi/metadata.xml
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+<?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>