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| author |   Christoph Junghans <ottxor@gentoo.org> | 2012-11-30 20:45:26 +0000 |
|---|---|---|
| committer | Christoph Junghans <ottxor@gentoo.org> | 2012-11-30 20:45:26 +0000 |
| commit | 9602e0eb8a9d4653a2cd6c9fdcfd311aa6c7f937 (patch) | |
| tree | de7d6e3b6ae0d68018073e27dbd17f26a087c0d5 /sci-libs/openmm | |
| parent | initial commit (diff) | |
| download | historical-9602e0eb8a9d4653a2cd6c9fdcfd311aa6c7f937.tar.gz historical-9602e0eb8a9d4653a2cd6c9fdcfd311aa6c7f937.tar.bz2 historical-9602e0eb8a9d4653a2cd6c9fdcfd311aa6c7f937.zip | |
initial commit
Package-Manager: portage-2.2.0_alpha143/cvs/Linux i686
Manifest-Sign-Key: 0xC2000586
Diffstat (limited to 'sci-libs/openmm')
| -rw-r--r-- | sci-libs/openmm/Manifest | 17 | ||||
| -rw-r--r-- | sci-libs/openmm/metadata.xml | 13 | ||||
| -rw-r--r-- | sci-libs/openmm/openmm-4.1.1.ebuild | 41 |
3 files changed, 70 insertions, 1 deletions
diff --git a/sci-libs/openmm/Manifest b/sci-libs/openmm/Manifest index 0f17808903c4..95b5d935a0ac 100644 --- a/sci-libs/openmm/Manifest +++ b/sci-libs/openmm/Manifest @@ -1,3 +1,18 @@ +-----BEGIN PGP SIGNED MESSAGE----- +Hash: SHA256 + 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 +EBUILD openmm-4.1.1.ebuild 970 SHA256 def57a9e95cf9be21e3c586b548fab6312e71ce30fcd65b1c18c32959b2ac9f1 SHA512 6a238095ca35375648854356b87a31e0eaf14828356f48c5e02264c3a12482f1f8b975d57d2e0cba61d8bb39ecd1c84ee7b024348594e89d039e539fd6c6876e WHIRLPOOL 3e9380ecb88404b4d90ddd658022d7aa154e1794030fb36c98bcd6d23107691a70bbdb7a46c4c0aaaab755ee4814dc9746d1395a180f94aa49a99bc0fbccfd47 +MISC ChangeLog 342 SHA256 a8dc05a7925b61c4c25a99ff47d42bbf0f849052bb9181b0201764fdd7041bc9 SHA512 7bbe6a1152bb806cb9854bc75b15424bce39b0f896b4c0d018764f8c894c96c7922abc6cef769582b5b8a7030012c81f5eb4ef94512bb512d42dacad26c96641 WHIRLPOOL 16cad2e9ee94a39192e44abc9a833556eea2ab2ed2b99e411d1255c9573be7badc04bf0951ca9d58fb283c6785adfe916fa9b06a037125495174274b514aa5fe MISC metadata.xml 380 SHA256 de7cb0d38f7a265acd6658c56dde6cc5b8569d93a1bb3337f91dce08542d8864 SHA512 5d425b216261994f079f92d9ab36661b02396f3423cce378a5afc05c2a0770164168d8e742cac505a4d32c10675f2d9b31c9ed3adf5ebb906a9f516b82d39e17 WHIRLPOOL b7e7a4a95649e8aaefb0e1c265c0255e9fc277e20b6f581fe36579aec221750c3146728f16ee01e7ae61b27993e37363d90cabb19d5432c1aa481d6bcf193ecd +-----BEGIN PGP SIGNATURE----- +Version: GnuPG v2.0.19 (GNU/Linux) + +iQEcBAEBCAAGBQJQuRrhAAoJEOeBhlrCAAWGsw4H/joOtqnudg7t5R6avGaCjMK8 +mv9fQFo7g5auwJFweENnF/S20OeCeZ96BGzXwj2L6HYQwf88D0EoxE8ada8vx8zn +cpiWgFy2HEfi4r9MSvvZLo3DzcFsDNjPF3nEtvbnkyP9iPWFxeGPlHaot0VrFaRa +8ROtPLaHFI5alx5WpUZV2woOwCl3Eu5z+4NFC2rOUSBaIxefQF8bcD1XdlA/5C3h +NEHyZAMcwvFyihc+Ar8nApnB80sP6/LVL56Eyf6xVSHEpd0tqgU6rWnKVD4IQEXw +k2yUQQCEI/JArk1UIg0F7slbEobGJkHBYP3vAh9sL1IJluDsEl+/r45C6p95vkg= +=1gqc +-----END PGP SIGNATURE----- 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 +} |