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| author |   Christoph Junghans <ottxor@gentoo.org> | 2012-11-30 20:45:20 +0000 |
|---|---|---|
| committer | Christoph Junghans <ottxor@gentoo.org> | 2012-11-30 20:45:20 +0000 |
| commit | 9f947d58489b6017d4ae0e264b4b861c55ed7c76 (patch) | |
| tree | cfde7669bf0f4df24dc066cf888f9b52724d1675 /sci-libs/openmm | |
| parent | masked sci-libs/openmm (diff) | |
| download | gentoo-2-9f947d58489b6017d4ae0e264b4b861c55ed7c76.tar.gz gentoo-2-9f947d58489b6017d4ae0e264b4b861c55ed7c76.tar.bz2 gentoo-2-9f947d58489b6017d4ae0e264b4b861c55ed7c76.zip | |
initial commit
(Portage version: 2.2.0_alpha143/cvs/Linux i686, signed Manifest commit with key C2000586)
Diffstat (limited to 'sci-libs/openmm')
| -rw-r--r-- | sci-libs/openmm/ChangeLog | 9 | ||||
| -rw-r--r-- | sci-libs/openmm/Manifest | 3 | ||||
| -rw-r--r-- | sci-libs/openmm/metadata.xml | 13 | ||||
| -rw-r--r-- | sci-libs/openmm/openmm-4.1.1.ebuild | 41 |
4 files changed, 66 insertions, 0 deletions
diff --git a/sci-libs/openmm/ChangeLog b/sci-libs/openmm/ChangeLog new file mode 100644 index 000000000000..12300238d97a --- /dev/null +++ b/sci-libs/openmm/ChangeLog @@ -0,0 +1,9 @@ +# ChangeLog for sci-libs/openmm +# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-libs/openmm/ChangeLog,v 1.1 2012/11/30 20:45:20 ottxor Exp $ + +*openmm-4.1.1 (30 Nov 2012) + + 30 Nov 2012; Christoph Junghans <ottxor@gentoo.org> +metadata.xml, + +openmm-4.1.1.ebuild: + initial commit diff --git a/sci-libs/openmm/Manifest b/sci-libs/openmm/Manifest new file mode 100644 index 000000000000..0f17808903c4 --- /dev/null +++ b/sci-libs/openmm/Manifest @@ -0,0 +1,3 @@ +DIST OpenMM4.1.1-Source.zip 16222188 SHA256 aae2f9e851af5f48c937c43b9d21a72f2ca97cc61849c097f2548dbb124c336a SHA512 0f070afc42d66b2c9408d4a633109deeb303c7d43dedd9b27659422e8822e4125862956a98efc5e6685c033fc065014281e5436c483330b334e66edaf31effe3 WHIRLPOOL 44e75a808ad579a2cea17d4ddfa2bdc458829ab7832f57e13c04001cc6db17d8d0713eeb833c19ff93cac6ff588e364b317520833ca6eb2a161ee11346566ecb +EBUILD openmm-4.1.1.ebuild 873 SHA256 4d002639f97535b20d22dcd8996aee6965497fee4830d82f1bb31e9c051a2f93 SHA512 755161c6a50d9cb22233c0fa24aedcfbdd40c485ac06a1425ee8989862dacc80d17fa1fe73e81259befca9d26332ab178e4e19b2ddb6fef2653eabe34ecfa790 WHIRLPOOL d7d4e43e28ee47d1686a5e0edd0ebc042c6229d5682a55acac00280cc28c562e037d175f81217a033030c0b1e12c9cf5e5ff41af5f79adafa1bac25dd65e77ee +MISC metadata.xml 380 SHA256 de7cb0d38f7a265acd6658c56dde6cc5b8569d93a1bb3337f91dce08542d8864 SHA512 5d425b216261994f079f92d9ab36661b02396f3423cce378a5afc05c2a0770164168d8e742cac505a4d32c10675f2d9b31c9ed3adf5ebb906a9f516b82d39e17 WHIRLPOOL b7e7a4a95649e8aaefb0e1c265c0255e9fc277e20b6f581fe36579aec221750c3146728f16ee01e7ae61b27993e37363d90cabb19d5432c1aa481d6bcf193ecd diff --git a/sci-libs/openmm/metadata.xml b/sci-libs/openmm/metadata.xml new file mode 100644 index 000000000000..e77ce3b9e8fd --- /dev/null +++ b/sci-libs/openmm/metadata.xml @@ -0,0 +1,13 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <herd>sci-chemistry</herd> + <maintainer> + <email>ottxor@gentoo.org</email> + <name>Christoph Junghans</name> + </maintainer> + <use> + <flag name="cuda">enable cuda back-end</flag> + <flag name="opencl">enable opencl back-end</flag> + </use> +</pkgmetadata> diff --git a/sci-libs/openmm/openmm-4.1.1.ebuild b/sci-libs/openmm/openmm-4.1.1.ebuild new file mode 100644 index 000000000000..a22e148f1938 --- /dev/null +++ b/sci-libs/openmm/openmm-4.1.1.ebuild @@ -0,0 +1,41 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-libs/openmm/openmm-4.1.1.ebuild,v 1.1 2012/11/30 20:45:20 ottxor Exp $ + +EAPI="5" + +inherit cmake-utils + +MY_P="${PN^^[om]}${PV}-Source" +DESCRIPTION="provides tools for modern molecular modeling simulation" +HOMEPAGE="https://simtk.org/home/openmm" +SRC_URI="${MY_P}.zip" + +LICENSE="GPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="cuda opencl" + +RDEPEND=" + cuda? ( dev-util/nvidia-cuda-toolkit ) + opencl? ( virtual/opencl )" +DEPEND="${RDEPEND} + dev-util/cmake" + +RESTRICT="fetch" +S="${WORKDIR}/${MY_P}" + +pkg_nofetch(){ + einfo "Please download ${SRC_URI} from" + einfo "${HOMEPAGE}" + einfo "and put it into ${DISTDIR}" +} + +src_configure() { + mycmakeargs=( + $(cmake-utils_use opencl OPENMM_BUILD_RPMD_PLUGIN) + $(cmake-utils_use opencl OPENMM_BUILD_PYTHON_WRAPPERS) + ) # workarounds for broken autodetection + + cmake-utils_src_configure +} |