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Sat, 31 Jan 2015 20:19:16 +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: <1422735422.4bb4e72ee1217167a37c0f89e51d0df4f90ab94e.ottxor@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/gromacs-5.0.9999.ebuild sci-chemistry/gromacs/gromacs-9999.ebuild sci-chemistry/gromacs/metadata.xml X-VCS-Directories: sci-chemistry/gromacs/ X-VCS-Committer: ottxor X-VCS-Committer-Name: Christoph Junghans X-VCS-Revision: 4bb4e72ee1217167a37c0f89e51d0df4f90ab94e X-VCS-Branch: master Date: Sat, 31 Jan 2015 20:19:16 +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: db37e206-9efa-4119-bbee-c4a79529ce2d X-Archives-Hash: 6b1a7c6ec60eb43cd4e087624749fbac commit: 4bb4e72ee1217167a37c0f89e51d0df4f90ab94e Author: Christoph Junghans gentoo org> AuthorDate: Sat Jan 31 20:17:02 2015 +0000 Commit: Christoph Junghans gentoo org> CommitDate: Sat Jan 31 20:17:02 2015 +0000 URL: http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=4bb4e72e Switch to CPU_FLAGS_X86 (bug #538268) Package-Manager: portage-2.2.14 --- sci-chemistry/gromacs/ChangeLog | 6 +++++- sci-chemistry/gromacs/gromacs-4.6.9999.ebuild | 12 ++++++------ sci-chemistry/gromacs/gromacs-5.0.9999.ebuild | 14 +++++++------- sci-chemistry/gromacs/gromacs-9999.ebuild | 14 +++++++------- sci-chemistry/gromacs/metadata.xml | 6 ------ 5 files changed, 25 insertions(+), 27 deletions(-) diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog index da2baae..5acf30f 100644 --- a/sci-chemistry/gromacs/ChangeLog +++ b/sci-chemistry/gromacs/ChangeLog @@ -1,7 +1,11 @@ # ChangeLog for sci-chemistry/gromacs -# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ + 31 Jan 2015; Christoph Junghans gromacs-4.6.9999.ebuild, + gromacs-5.0.9999.ebuild, gromacs-9999.ebuild, metadata.xml: + Switch to CPU_FLAGS_X86 (bug #538268) + 21 Dec 2014; Christoph Junghans gromacs-5.0.9999.ebuild: sync with gx86 diff --git a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild index 2865833..e8ac17c 100644 --- a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2014 Gentoo Foundation +# Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ @@ -34,7 +34,7 @@ else KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x86-macos" fi -ACCE_IUSE="sse2 sse4_1 avx128fma avx256" +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx" DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" @@ -131,10 +131,10 @@ src_configure() { #go from slowest to fastest acceleration local acce="None" - use sse2 && acce="SSE2" - use sse4_1 && acce="SSE4.1" - use avx128fma && acce="AVX_128_FMA" - use avx256 && acce="AVX_256" + use cpu_flags_x86_sse2 && acce="SSE2" + use cpu_flags_x86_sse4_1 && acce="SSE4.1" + use cpu_flags_x86_fma4 && acce="AVX_128_FMA" + use cpu_flags_x86_avx && acce="AVX_256" #to create man pages, build tree binaries are executed (bug #398437) [[ ${CHOST} = *-darwin* ]] && \ diff --git a/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild b/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild index 210ceef..f338fd5 100644 --- a/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2014 Gentoo Foundation +# Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ @@ -22,7 +22,7 @@ else KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" fi -ACCE_IUSE="sse2 sse4_1 avx_128_fma avx_256 avx2_256" +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" @@ -116,11 +116,11 @@ src_configure() { #go from slowest to fastest acceleration local acce="None" - use sse2 && acce="SSE2" - use sse4_1 && acce="SSE4.1" - use avx_128_fma && acce="AVX_128_FMA" - use avx_256 && acce="AVX_256" - use avx2_256 && acce="AVX2_256" + use cpu_flags_x86_sse2 && acce="SSE2" + use cpu_flags_x86_sse4_1 && acce="SSE4.1" + use cpu_flags_x86_fma4 && acce="AVX_128_FMA" + use cpu_flags_x86_avx && acce="AVX_256" + use cpu_flags_x86_avx2 && acce="AVX2_256" #to create man pages, build tree binaries are executed (bug #398437) [[ ${CHOST} = *-darwin* ]] && \ diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild index 2c3fbe7..b50184a 100644 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2014 Gentoo Foundation +# Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ @@ -22,7 +22,7 @@ else test? ( http://gerrit.gromacs.org/download/regressiontests-${TEST_PV}.tar.gz )" fi -ACCE_IUSE="sse2 sse4_1 avx_128_fma avx_256 avx2_256" +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" @@ -117,11 +117,11 @@ src_configure() { #go from slowest to fastest acceleration local acce="None" - use sse2 && acce="SSE2" - use sse4_1 && acce="SSE4.1" - use avx_128_fma && acce="AVX_128_FMA" - use avx_256 && acce="AVX_256" - use avx2_256 && acce="AVX2_256" + use cpu_flags_x86_sse2 && acce="SSE2" + use cpu_flags_x86_sse4_1 && acce="SSE4.1" + use cpu_flags_x86_fma4 && acce="AVX_128_FMA" + use cpu_flags_x86_avx && acce="AVX_256" + use cpu_flags_x86_avx2 && acce="AVX2_256" #to create man pages, build tree binaries are executed (bug #398437) [[ ${CHOST} = *-darwin* ]] && \ diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml index 87e0f0a..8a5c745 100644 --- a/sci-chemistry/gromacs/metadata.xml +++ b/sci-chemistry/gromacs/metadata.xml @@ -14,12 +14,6 @@ Enable new trajectory format - tng Create symbolic links for pre-5.0 binary names - Enable sse4.1 acceleration - Enable 128bit avx with fma (e.g. AMD BullDozer) - Enable 128bit avx with fma (e.g. AMD BullDozer) - Enable 256bit avx (e.g. Intel Sandy Bridge) - Enable 256bit avx (e.g. Intel Sandy Bridge) - Enable 256bit avx2 (e.g. Intel Haswell) Enable gromacs partly offensive quotes Add acceleration through sci-libs/openmm Use sci-libs/mkl for fft, blas, lapack routines