From mboxrd@z Thu Jan 1 00:00:00 1970 Received: from pigeon.gentoo.org ([208.92.234.80] helo=lists.gentoo.org) by finch.gentoo.org with esmtp (Exim 4.60) (envelope-from ) id 1Pp5XR-0004e4-NC for garchives@archives.gentoo.org; Mon, 14 Feb 2011 21:00:54 +0000 Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 09C49E08E6; Mon, 14 Feb 2011 21:00:45 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [140.211.166.183]) by pigeon.gentoo.org (Postfix) with ESMTP id BCEEFE08E6 for ; Mon, 14 Feb 2011 21:00:45 +0000 (UTC) Received: from pelican.gentoo.org (unknown [66.219.59.40]) (using TLSv1 with cipher ADH-CAMELLIA256-SHA (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 247B81B401C for ; Mon, 14 Feb 2011 21:00:45 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by pelican.gentoo.org (Postfix) with ESMTP id 7F5678006A for ; Mon, 14 Feb 2011 21:00:44 +0000 (UTC) From: "Christoph Junghans" To: gentoo-commits@lists.gentoo.org Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Christoph Junghans" Message-ID: <5564dd22f510b2ea28010a63cc0eee6a2814c59a.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-4.5.3-r1.ebuild sci-chemistry/gromacs/gromacs-4.5.3-r2.ebuild sci-chemistry/gromacs/gromacs-4.5.9999.ebuild sci-chemistry/gromacs/gromacs-9999.ebuild X-VCS-Directories: sci-chemistry/gromacs/ X-VCS-Committer: kleiner_otti X-VCS-Committer-Name: Christoph Junghans X-VCS-Revision: 5564dd22f510b2ea28010a63cc0eee6a2814c59a Date: Mon, 14 Feb 2011 21:00:44 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: quoted-printable X-Archives-Salt: X-Archives-Hash: 04513262870b6849d7a4f3ad917af728 commit: 5564dd22f510b2ea28010a63cc0eee6a2814c59a Author: Christoph Junghans gentoo org> AuthorDate: Mon Feb 14 21:10:56 2011 +0000 Commit: Christoph Junghans gmx de> CommitDate: Mon Feb 14 21:11:22 2011 +0000 URL: http://git.overlays.gentoo.org/gitweb/?p=3Dproj/sci.git;a=3Dc= ommit;h=3D5564dd22 [sci-chemistry/gromacs] fixes bug #339837 (Portage version: 2.1.9.25/git/Linux i686, signed Manifest commit with ke= y C2000586) --- sci-chemistry/gromacs/ChangeLog | 6 ++++++ ...acs-4.5.3-r1.ebuild =3D> gromacs-4.5.3-r2.ebuild} | 17 ++++++++++++= ++--- sci-chemistry/gromacs/gromacs-4.5.9999.ebuild | 17 ++++++++++++++= --- sci-chemistry/gromacs/gromacs-9999.ebuild | 20 ++++++++++----= ------ 4 files changed, 44 insertions(+), 16 deletions(-) diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/Chan= geLog index 4415e5b..0aef6dd 100644 --- a/sci-chemistry/gromacs/ChangeLog +++ b/sci-chemistry/gromacs/ChangeLog @@ -2,6 +2,12 @@ # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ =20 +*gromacs-4.5.3-r2 (14 Feb 2011) + + 14 Feb 2011; Christoph Junghans -gromacs-4.5.3-r1.= ebuild, + +gromacs-4.5.3-r2.ebuild, gromacs-4.5.9999.ebuild, gromacs-9999.ebuild= : + bring back sse/sse2 useflag (bug #339837) + 20 Jan 2011; Christoph Junghans gromacs-9999.ebu= ild: add back live manual =20 diff --git a/sci-chemistry/gromacs/gromacs-4.5.3-r1.ebuild b/sci-chemistr= y/gromacs/gromacs-4.5.3-r2.ebuild similarity index 93% rename from sci-chemistry/gromacs/gromacs-4.5.3-r1.ebuild rename to sci-chemistry/gromacs/gromacs-4.5.3-r2.ebuild index 88290b8..ac987b2 100644 --- a/sci-chemistry/gromacs/gromacs-4.5.3-r1.ebuild +++ b/sci-chemistry/gromacs/gromacs-4.5.3-r2.ebuild @@ -8,7 +8,7 @@ LIBTOOLIZE=3D"true" TEST_PV=3D"4.0.4" MANUAL_PV=3D"4.5.3" =20 -inherit autotools-utils bash-completion multilib toolchain-funcs +inherit autotools-utils bash-completion flag-o-matic multilib toolchain-= funcs =20 SRC_URI=3D"test? ( ftp://ftp.gromacs.org/pub/tests/gmxtest-${TEST_PV}.tg= z ) doc? ( @@ -29,7 +29,7 @@ LICENSE=3D"GPL-2" SLOT=3D"0" KEYWORDS=3D"~alpha ~amd64 ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux" IUSE=3D"X altivec blas dmalloc doc -double-precision +fftw fkernels +gsl= lapack -mpi +single-precision static-libs test +threads +xml zsh-completion" +mpi +single-precision sse sse2 static-libs test +threads +xml zsh-comple= tion" =20 DEPEND=3D"app-shells/tcsh X? ( x11-libs/libX11 @@ -122,12 +122,19 @@ src_configure() { # if we need external blas or lapack use blas && export LIBS+=3D" -lblas" use lapack && export LIBS+=3D" -llapack" + local sseflag=3D"x86-64-sse" + use x86 && sseflag=3D"ia32-sse" + + #a bug in gromacs autotools + use sse && append-flags -msse + use sse2 && append-flags -msse2 =20 for x in ${GMX_DIRS}; do - local suffix=3D"" + local suffix=3D"" sse=3D"sse" #if we build single and double - double is suffixed use double-precision && use single-precision && \ [ "${x}" =3D "double" ] && suffix=3D"_d" + [ "${x}" =3D "double" ] && sse=3D"sse2" myeconfargs=3D( --bindir=3D"${EPREFIX}"/usr/bin --docdir=3D"${EPREFIX}"/usr/share/doc/"${PF}" @@ -146,7 +153,11 @@ src_configure() { --disable-bluegene --disable-la-files --disable-power6 + --disable-ia32-sse + --disable-x86-64-sse + $(use_enable $sse $sseflag) ) + #disable ia32-sse and x86-64-sse and enable what we really need in las= t line =20 einfo "Configuring for ${x} precision" AUTOTOOLS_BUILD_DIR=3D"${WORKDIR}/${P}_${x}"\ diff --git a/sci-chemistry/gromacs/gromacs-4.5.9999.ebuild b/sci-chemistr= y/gromacs/gromacs-4.5.9999.ebuild index 88290b8..ac987b2 100644 --- a/sci-chemistry/gromacs/gromacs-4.5.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-4.5.9999.ebuild @@ -8,7 +8,7 @@ LIBTOOLIZE=3D"true" TEST_PV=3D"4.0.4" MANUAL_PV=3D"4.5.3" =20 -inherit autotools-utils bash-completion multilib toolchain-funcs +inherit autotools-utils bash-completion flag-o-matic multilib toolchain-= funcs =20 SRC_URI=3D"test? ( ftp://ftp.gromacs.org/pub/tests/gmxtest-${TEST_PV}.tg= z ) doc? ( @@ -29,7 +29,7 @@ LICENSE=3D"GPL-2" SLOT=3D"0" KEYWORDS=3D"~alpha ~amd64 ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux" IUSE=3D"X altivec blas dmalloc doc -double-precision +fftw fkernels +gsl= lapack -mpi +single-precision static-libs test +threads +xml zsh-completion" +mpi +single-precision sse sse2 static-libs test +threads +xml zsh-comple= tion" =20 DEPEND=3D"app-shells/tcsh X? ( x11-libs/libX11 @@ -122,12 +122,19 @@ src_configure() { # if we need external blas or lapack use blas && export LIBS+=3D" -lblas" use lapack && export LIBS+=3D" -llapack" + local sseflag=3D"x86-64-sse" + use x86 && sseflag=3D"ia32-sse" + + #a bug in gromacs autotools + use sse && append-flags -msse + use sse2 && append-flags -msse2 =20 for x in ${GMX_DIRS}; do - local suffix=3D"" + local suffix=3D"" sse=3D"sse" #if we build single and double - double is suffixed use double-precision && use single-precision && \ [ "${x}" =3D "double" ] && suffix=3D"_d" + [ "${x}" =3D "double" ] && sse=3D"sse2" myeconfargs=3D( --bindir=3D"${EPREFIX}"/usr/bin --docdir=3D"${EPREFIX}"/usr/share/doc/"${PF}" @@ -146,7 +153,11 @@ src_configure() { --disable-bluegene --disable-la-files --disable-power6 + --disable-ia32-sse + --disable-x86-64-sse + $(use_enable $sse $sseflag) ) + #disable ia32-sse and x86-64-sse and enable what we really need in las= t line =20 einfo "Configuring for ${x} precision" AUTOTOOLS_BUILD_DIR=3D"${WORKDIR}/${P}_${x}"\ diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gr= omacs/gromacs-9999.ebuild index 327978a..b6f5119 100644 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild @@ -20,7 +20,7 @@ LICENSE=3D"GPL-2" SLOT=3D"0" KEYWORDS=3D"~alpha ~amd64 ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux" IUSE=3D"X altivec blas doc -double-precision +fftw fkernels gsl lapack -mpi +single-precision sse test +threads xml zsh-completion" +mpi +single-precision sse sse2 test +threads xml zsh-completion" =20 DEPEND=3D"X? ( x11-libs/libX11 x11-libs/libSM @@ -114,11 +114,10 @@ src_configure() { fi =20 #go from slowest to faster acceleration - local acce=3D"none" - use altivec && acce=3D"altivec" - use ia64 && acce=3D"ia64" - use fkernels && acce=3D"fortran" - use sse && acce=3D"sse" + local acce_pre=3D"none" + use fkernels && acce_pre=3D"fortran" + use altivec && acce_pre=3D"altivec" + use ia64 && acce_pre=3D"ia64" =20 mycmakeargs_pre+=3D( $(cmake-utils_use X GMX_X11) @@ -127,24 +126,25 @@ src_configure() { $(cmake-utils_use lapack GMX_EXTERNAL_LAPACK) $(cmake-utils_use threads GMX_THREADS) $(cmake-utils_use xml GMX_XML) - -DGMX_ACCELERATION=3D"$acce" -DGMX_DEFAULT_SUFFIX=3Doff ) =20 for x in ${GMX_DIRS}; do einfo "Configuring for ${x} precision" - local suffix=3D"" + local suffix=3D"" acce=3D"$acce_pre" #if we build single and double - double is suffixed use double-precision && use single-precision && \ [ "${x}" =3D "double" ] && suffix=3D"_d" + [ "${x}" =3D "float" ] && use sse && acce=3D"sse" + [ "${x}" =3D "double" ] && use sse2 && acce=3D"sse" local p [ "${x}" =3D "double" ] && p=3D"-DGMX_DOUBLE=3DON" || p=3D"-DGMX_DOUBL= E=3DOFF" - mycmakeargs=3D( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=3DOFF + mycmakeargs=3D( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=3DOFF -DGMX_ACCEL= ERATION=3D"$acce" -DGMX_BINARY_SUFFIX=3D"${suffix}" -DGMX_LIBS_SUFFIX=3D"${suffix}" ) CMAKE_BUILD_DIR=3D"${WORKDIR}/${P}_${x}" cmake-utils_src_configure use mpi || continue einfo "Configuring for ${x} precision with mpi" - mycmakeargs=3D( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=3DON + mycmakeargs=3D( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=3DON -DGMX_ACCELE= RATION=3D"$acce" -DGMX_BINARY_SUFFIX=3D"_mpi${suffix}" -DGMX_LIBS_SUFFIX=3D"_mpi${suff= ix}" ) CMAKE_BUILD_DIR=3D"${WORKDIR}/${P}_${x}_mpi" cmake-utils_src_configure done