diff options
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/Manifest.gz | bin | 17549 -> 17714 bytes | |||
| -rw-r--r-- | sci-chemistry/gmxapi/Manifest | 3 | ||||
| -rw-r--r-- | sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild | 60 | ||||
| -rw-r--r-- | sci-chemistry/gmxapi/metadata.xml | 12 |
4 files changed, 75 insertions, 0 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex 1cd00da0c495..7eedd16905fe 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/gmxapi/Manifest b/sci-chemistry/gmxapi/Manifest new file mode 100644 index 000000000000..2fbb4efa04bc --- /dev/null +++ b/sci-chemistry/gmxapi/Manifest @@ -0,0 +1,3 @@ +DIST gmxapi-0.0.7.1.tar.gz 671400 BLAKE2B 5db024bceaed262fc1bd2ef35c0c24a31eff12abde7766ba0eea9d5aabe04c435cdf3c79c04d7932f2110de837a0d06e1f66239f22ba6f313410ed8c9d899788 SHA512 4103d67be3c869907613ec74fc46f14b15242ad93a973fc984dbb25e79bb0bb697d9d2ad9b67a8da2500e5a89b8f78ea1ef1632455af29830e11c2bf1f11bc44 +EBUILD gmxapi-0.0.7.1.ebuild 1239 BLAKE2B 3ee41035a390d32da209882d49e05ed017b697dc568e4a401b024208e34ea56235560d4b5b5605684eb5bb73a7ef88a90705cc62e446322600ab77cfa44e2c50 SHA512 9d09c4faa0997764e07cc33fb4521e248a9e3f74f9ee209457277611a0cc7e0fc19a4836dbeb44cfc98dae8d68b69163859c8f18ca680286b000c56ccc381cb7 +MISC metadata.xml 374 BLAKE2B d93e2ad2f09971909382ad65fc5f5033487979b0694f9dc656439573973f55ce1865e5a30584e55e1c48fdd93898601ac2b11e269fb2b1c5adc3ff8dde66f35d SHA512 1c61c58e1cfbbb42342f7a87625e0044e51523f7a2f7270ecfea537c622965e64195fc88eb8f70fac648a0154a19f4a852b88383de1dcd6e17ff0ac0dc6e22d8 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> |