From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from lists.gentoo.org (pigeon.gentoo.org [208.92.234.80]) by finch.gentoo.org (Postfix) with ESMTP id 0A680138010 for ; Wed, 3 Oct 2012 14:55:06 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id B3DE5E0230; Wed, 3 Oct 2012 14:54:58 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [140.211.166.183]) by pigeon.gentoo.org (Postfix) with ESMTP id 6E261E0230 for ; Wed, 3 Oct 2012 14:54:58 +0000 (UTC) Received: from hornbill.gentoo.org (hornbill.gentoo.org [94.100.119.163]) (using TLSv1 with cipher AECDH-AES256-SHA (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id A647333D780 for ; Wed, 3 Oct 2012 14:54:57 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by hornbill.gentoo.org (Postfix) with ESMTP id 48D39E5436 for ; Wed, 3 Oct 2012 14:54:56 +0000 (UTC) From: "Christoph Junghans" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Christoph Junghans" Message-ID: <1349276081.6d54a8c0ae0936c3108a4c1d5ee96f2e93caba0e.kleiner_otti@gentoo> Subject: [gentoo-commits] proj/sci:master commit in: sci-chemistry/gromacs/ X-VCS-Repository: proj/sci X-VCS-Files: sci-chemistry/gromacs/ChangeLog sci-chemistry/gromacs/gromacs-4.6.9999.ebuild sci-chemistry/gromacs/metadata.xml X-VCS-Directories: sci-chemistry/gromacs/ X-VCS-Committer: kleiner_otti X-VCS-Committer-Name: Christoph Junghans X-VCS-Revision: 6d54a8c0ae0936c3108a4c1d5ee96f2e93caba0e X-VCS-Branch: master Date: Wed, 3 Oct 2012 14:54:56 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org X-Archives-Salt: 88668960-c12f-4d59-b30d-b25d81f98bf6 X-Archives-Hash: c715ebfe0c38cfdeda24c9be58d395d6 commit: 6d54a8c0ae0936c3108a4c1d5ee96f2e93caba0e Author: Christoph Junghans gentoo org> AuthorDate: Wed Oct 3 14:54:24 2012 +0000 Commit: Christoph Junghans gmx de> CommitDate: Wed Oct 3 14:54:41 2012 +0000 URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=6d54a8c0 hybrid stuff got merged (Portage version: 2.2.0_alpha134/git/Linux i686, unsigned Manifest commit) --- sci-chemistry/gromacs/ChangeLog | 4 ++++ sci-chemistry/gromacs/gromacs-4.6.9999.ebuild | 12 +++--------- sci-chemistry/gromacs/metadata.xml | 1 - 3 files changed, 7 insertions(+), 10 deletions(-) diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog index e597ab8..47636de 100644 --- a/sci-chemistry/gromacs/ChangeLog +++ b/sci-chemistry/gromacs/ChangeLog @@ -2,6 +2,10 @@ # Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ + 03 Oct 2012; Christoph Junghans gromacs-4.6.9999.ebuild, + metadata.xml: + hybrid stuff got merged + 09 Aug 2012; Christoph Junghans gromacs-4.6.9999.ebuild: use ninja if available diff --git a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild index f54af37..bbf4161 100644 --- a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild @@ -23,7 +23,6 @@ if [[ $PV = *9999* ]]; then git://github.com/gromacs/gromacs.git http://repo.or.cz/r/gromacs.git" EGIT_BRANCH="release-4-6" - use hybrid && EGIT_BRANCH="nbnxn_hybrid_acc" inherit git-2 else SRC_URI="${SRC_URI} ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz" @@ -37,7 +36,7 @@ HOMEPAGE="http://www.gromacs.org/" LICENSE="GPL-2" SLOT="0" KEYWORDS="~alpha ~amd64 ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x86-macos" -IUSE="X blas cuda doc -double-precision +fftw gsl hybrid lapack +IUSE="X blas cuda doc -double-precision +fftw gsl lapack mpi openmp +single-precision test +threads xml zsh-completion ${ACCE_IUSE}" CDEPEND=" @@ -61,7 +60,7 @@ RDEPEND="${CDEPEND} RESTRICT="test" -REQUIRED_USE="cuda? ( !double-precision hybrid )" +REQUIRED_USE="cuda? ( !double-precision )" pkg_pretend() { [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs" @@ -122,7 +121,7 @@ src_configure() { use avx256 && acce="AVX_256" #workaround for now - use sse2 && use hybrid && CFLAGS+=" -msse2" + use sse2 && CFLAGS+=" -msse2" #to create man pages, build tree binaries are executed (bug #398437) [[ ${CHOST} = *-darwin* ]] && \ @@ -225,9 +224,4 @@ pkg_postinst() { einfo "For more Gromacs cool quotes (gcq) add g_luck to your .bashrc" einfo elog "Gromacs can use sci-chemistry/vmd to read additional file formats" - if use hybrid; then - elog "Cuda and hybrid acceleration is still experimental," - elog "use 'cutoff-scheme = Verlet' in your mdp file and" - elog "report bugs: http://redmine.gromacs.org/issues" - fi } diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml index dd3f082..acbcd53 100644 --- a/sci-chemistry/gromacs/metadata.xml +++ b/sci-chemistry/gromacs/metadata.xml @@ -9,7 +9,6 @@ Enable cuda non-bonded kernels More precise calculations at the expense of speed - Enable hybrid acceleration kernels Single precision version of gromacs (default) Enable building of Fortran Kernels for platforms that dont have assembly loops