commit: 2346e75d6ac38cfa981829bbb4efc2ad2bc043b2
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Tue Apr 8 08:13:50 2014 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Tue Apr 8 08:13:50 2014 +0000
URL:
http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=2346e75d
[sci-chemistry/gromacs] New ebuilds
Package-Manager: portage-2.2.10
---
sci-chemistry/gromacs/ChangeLog | 8 ++++
...cs-5.0_beta1.ebuild => gromacs-5.0.9999.ebuild} | 50 +++++++++++-----------
...{gromacs-9999.ebuild => gromacs-5.0_rc1.ebuild} | 43 ++++++++++---------
sci-chemistry/gromacs/gromacs-9999.ebuild | 39 +++++++++--------
sci-chemistry/gromacs/metadata.xml | 11 +++--
5 files changed, 83 insertions(+), 68 deletions(-)
diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
index 299e5b1..502a133 100644
--- a/sci-chemistry/gromacs/ChangeLog
+++ b/sci-chemistry/gromacs/ChangeLog
@@ -2,6 +2,14 @@
# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*gromacs-5.0.9999 (08 Apr 2014)
+*gromacs-5.0_rc1 (08 Apr 2014)
+
+ 08 Apr 2014; Alexey Shvetsov <[email protected]> +gromacs-5.0.9999.ebuild,
+ +gromacs-5.0_rc1.ebuild, -gromacs-5.0_beta1.ebuild, gromacs-9999.ebuild,
+ metadata.xml:
+ [sci-chemistry/gromacs] New ebuilds
+
05 Mar 2014; Christoph Junghans <[email protected]> gromacs-9999.ebuild:
fix multilib-strict
diff --git a/sci-chemistry/gromacs/gromacs-5.0_beta1.ebuild
b/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild
similarity index 86%
rename from sci-chemistry/gromacs/gromacs-5.0_beta1.ebuild
rename to sci-chemistry/gromacs/gromacs-5.0.9999.ebuild
index a3eb16e..6445042 100644
--- a/sci-chemistry/gromacs/gromacs-5.0_beta1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild
@@ -4,7 +4,7 @@
EAPI=5
-TEST_PV="5.0-beta1"
+TEST_PV="5.0-rc1"
CMAKE_MAKEFILE_GENERATOR="ninja"
@@ -15,14 +15,14 @@ if [[ $PV = *9999* ]]; then
https://gerrit.gromacs.org/gromacs.git
git://github.com/gromacs/gromacs.git
http://repo.or.cz/r/gromacs.git";
- EGIT_BRANCH="master"
+ EGIT_BRANCH="release-5-0"
inherit git-r3
else
SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz
- test? (
http://${PN}.googlecode.com/files/regressiontests-${TEST_PV}.tar.gz )"
+ test? (
http://gerrit.gromacs.org/download/regressiontests-${TEST_PV}.tar.gz )"
fi
-ACCE_IUSE="sse2 sse4_1 avx128fma avx256"
+ACCE_IUSE="sse2 sse4_1 avx_128_fma avx_256 avx2_256"
DESCRIPTION="The ultimate molecular dynamics simulation package"
HOMEPAGE="http://www.gromacs.org/";
@@ -32,8 +32,8 @@ HOMEPAGE="http://www.gromacs.org/";
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib,
memtestG80 library, mpi_thread lib
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? (
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
SLOT="0/${PV}"
-KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux
~x86-macos"
-IUSE="X blas cuda +doc -double-precision +fftw gsl lapack mkl mpi +offensive
openmp +single-precision test +threads zsh-completion ${ACCE_IUSE}"
+KEYWORDS=""
+IUSE="X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive
openmp +single-precision test +threads +tng ${ACCE_IUSE}"
CDEPEND="
X? (
@@ -42,9 +42,9 @@ CDEPEND="
x11-libs/libICE
)
blas? ( virtual/blas )
+ boost? ( >=dev-libs/boost-1.55 )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
fftw? ( sci-libs/fftw:3.0 )
- gsl? ( sci-libs/gsl )
lapack? ( virtual/lapack )
mkl? ( sci-libs/mkl )
mpi? ( virtual/mpi )
@@ -119,8 +119,9 @@ src_configure() {
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 avx_128_fma && acce="AVX_128_FMA"
+ use avx_256 && acce="AVX_256"
+ use avx2_256 && acee="AVX2_256"
#to create man pages, build tree binaries are executed (bug #398437)
[[ ${CHOST} = *-darwin* ]] && \
@@ -147,21 +148,20 @@ src_configure() {
"${fft_opts[@]}"
$(cmake-utils_use X GMX_X11)
$(cmake-utils_use blas GMX_EXTERNAL_BLAS)
- $(cmake-utils_use gsl GMX_GSL)
$(cmake-utils_use lapack GMX_EXTERNAL_LAPACK)
$(cmake-utils_use openmp GMX_OPENMP)
$(cmake-utils_use offensive GMX_COOL_QUOTES)
+ $(cmake-utils_use boost GMX_EXTERNAL_BOOST)
+ $(cmake-utils_use tng GMX_USE_TNG)
$(cmake-utils_use doc GMX_BUILD_MANUAL)
-DGMX_DEFAULT_SUFFIX=off
- -DGMX_ACCELERATION="$acce"
- -DGMXLIB="$(get_libdir)"
+ -DGMX_SIMD="$acce"
+ -DGMX_LIB_INSTALL_DIR="$(get_libdir)"
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
- -DGMX_PREFIX_LIBMD=ON
-DGMX_X86_AVX_GCC_MASKLOAD_BUG=OFF
-DGMX_USE_GCC44_BUG_WORKAROUND=OFF
-DBUILD_TESTING=OFF
-DGMX_BUILD_UNITTESTS=OFF
- -DGMX_LIB_INSTALL_DIR=$(get_libdir)
${extra}
)
@@ -195,6 +195,7 @@ src_configure() {
-DGMX_MPI=ON ${cuda}
-DGMX_OPENMM=OFF
-DGMX_BUILD_MDRUN_ONLY=ON
+ -DBUILD_SHARED_LIBS=OFF
-DGMX_BUILD_MANUAL=OFF
-DGMX_BINARY_SUFFIX="_mpi${suffix}"
-DGMX_LIBS_SUFFIX="_mpi${suffix}"
@@ -208,6 +209,9 @@ src_compile() {
einfo "Compiling for ${x} precision"
BUILD_DIR="${WORKDIR}/${P}_${x}"\
cmake-utils_src_compile
+ # generate bash completion
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\
+ cmake-utils_src_compile completion
if use doc; then
BUILD_DIR="${WORKDIR}/${P}_${x}"\
cmake-utils_src_compile manual
@@ -233,28 +237,24 @@ src_install() {
if use doc; then
newdoc "${WORKDIR}/${P}_${x}"/manual/gromacs.pdf
"${PN}-manual-${PV}.pdf"
fi
+ newbashcomp
"${WORKDIR}/${P}_${x}"/src/programs/completion/gmx-completion.bash gromacs
use mpi || continue
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
cmake-utils_src_install
done
-
- newbashcomp "${ED}"/usr/bin/completion.bash ${PN}
- if use zsh-completion ; then
- insinto /usr/share/zsh/site-functions
- newins "${ED}"/usr/bin/completion.zsh _${PN}
- fi
- rm -f "${ED}"usr/bin/completion.* || die
- rm -f "${ED}"usr/bin/g_options* || die
- rm -f "${ED}"usr/bin/GMXRC* || die
+ # drop non needed staff
+ rm -f "${ED}"usr/bin/gmx-completion*
+ rm -f "${ED}"usr/bin/g_options*
+ rm -f "${ED}"usr/bin/GMXRC*
readme.gentoo_create_doc
}
pkg_postinst() {
- echo
+ einfo
einfo "Please read and cite:"
einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
einfo "http://dx.doi.org/10.1021/ct700301q";
- echo
+ einfo
readme.gentoo_print_elog
}
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild
b/sci-chemistry/gromacs/gromacs-5.0_rc1.ebuild
similarity index 87%
copy from sci-chemistry/gromacs/gromacs-9999.ebuild
copy to sci-chemistry/gromacs/gromacs-5.0_rc1.ebuild
index 11be99e..350910c 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-5.0_rc1.ebuild
@@ -4,7 +4,7 @@
EAPI=5
-TEST_PV="5.0-beta1"
+TEST_PV="5.0-rc1"
CMAKE_MAKEFILE_GENERATOR="ninja"
@@ -15,14 +15,14 @@ if [[ $PV = *9999* ]]; then
https://gerrit.gromacs.org/gromacs.git
git://github.com/gromacs/gromacs.git
http://repo.or.cz/r/gromacs.git";
- EGIT_BRANCH="master"
- inherit git-2
+ EGIT_BRANCH="release-5-0"
+ inherit git-r3
else
SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz
- test? (
http://${PN}.googlecode.com/files/regressiontests-${TEST_PV}.tar.gz )"
+ test? (
http://gerrit.gromacs.org/download/regressiontests-${TEST_PV}.tar.gz )"
fi
-ACCE_IUSE="sse2 sse4_1 avx128fma avx256"
+ACCE_IUSE="sse2 sse4_1 avx_128_fma avx_256 avx2_256"
DESCRIPTION="The ultimate molecular dynamics simulation package"
HOMEPAGE="http://www.gromacs.org/";
@@ -32,8 +32,8 @@ HOMEPAGE="http://www.gromacs.org/";
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib,
memtestG80 library, mpi_thread lib
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? (
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
SLOT="0/${PV}"
-KEYWORDS=""
-IUSE="X blas cuda +doc -double-precision +fftw gsl lapack mkl mpi +offensive
openmp +single-precision test +threads zsh-completion ${ACCE_IUSE}"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive
openmp +single-precision test +threads +tng ${ACCE_IUSE}"
CDEPEND="
X? (
@@ -42,9 +42,9 @@ CDEPEND="
x11-libs/libICE
)
blas? ( virtual/blas )
+ boost? ( >=dev-libs/boost-1.55 )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
fftw? ( sci-libs/fftw:3.0 )
- gsl? ( sci-libs/gsl )
lapack? ( virtual/lapack )
mkl? ( sci-libs/mkl )
mpi? ( virtual/mpi )
@@ -80,12 +80,12 @@ src_unpack() {
if [[ ${PV} != *9999 ]]; then
default
else
- git-2_src_unpack
+ git-r3_src_unpack
if use test; then
EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
EGIT_BRANCH="master" EGIT_NOUNPACK="yes"
EGIT_COMMIT="master" \
EGIT_SOURCEDIR="${WORKDIR}/regressiontests"\
- git-2_src_unpack
+ git-r3_src_unpack
fi
fi
}
@@ -119,8 +119,9 @@ src_configure() {
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 avx_128_fma && acce="AVX_128_FMA"
+ use avx_256 && acce="AVX_256"
+ use avx2_256 && acee="AVX2_256"
#to create man pages, build tree binaries are executed (bug #398437)
[[ ${CHOST} = *-darwin* ]] && \
@@ -147,16 +148,16 @@ src_configure() {
"${fft_opts[@]}"
$(cmake-utils_use X GMX_X11)
$(cmake-utils_use blas GMX_EXTERNAL_BLAS)
- $(cmake-utils_use gsl GMX_GSL)
$(cmake-utils_use lapack GMX_EXTERNAL_LAPACK)
$(cmake-utils_use openmp GMX_OPENMP)
$(cmake-utils_use offensive GMX_COOL_QUOTES)
+ $(cmake-utils_use boost GMX_EXTERNAL_BOOST)
+ $(cmake-utils_use tng GMX_USE_TNG)
$(cmake-utils_use doc GMX_BUILD_MANUAL)
-DGMX_DEFAULT_SUFFIX=off
-DGMX_SIMD="$acce"
-DGMX_LIB_INSTALL_DIR="$(get_libdir)"
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
- -DGMX_PREFIX_LIBMD=ON
-DGMX_X86_AVX_GCC_MASKLOAD_BUG=OFF
-DGMX_USE_GCC44_BUG_WORKAROUND=OFF
-DBUILD_TESTING=OFF
@@ -194,6 +195,7 @@ src_configure() {
-DGMX_MPI=ON ${cuda}
-DGMX_OPENMM=OFF
-DGMX_BUILD_MDRUN_ONLY=ON
+ -DBUILD_SHARED_LIBS=OFF
-DGMX_BUILD_MANUAL=OFF
-DGMX_BINARY_SUFFIX="_mpi${suffix}"
-DGMX_LIBS_SUFFIX="_mpi${suffix}"
@@ -207,6 +209,9 @@ src_compile() {
einfo "Compiling for ${x} precision"
BUILD_DIR="${WORKDIR}/${P}_${x}"\
cmake-utils_src_compile
+ # generate bash completion
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\
+ cmake-utils_src_compile completion
if use doc; then
BUILD_DIR="${WORKDIR}/${P}_${x}"\
cmake-utils_src_compile manual
@@ -232,17 +237,13 @@ src_install() {
if use doc; then
newdoc "${WORKDIR}/${P}_${x}"/manual/gromacs.pdf
"${PN}-manual-${PV}.pdf"
fi
+ newbashcomp
"${WORKDIR}/${P}_${x}"/src/programs/completion/gmx-completion.bash gromacs
use mpi || continue
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
cmake-utils_src_install
done
-
- #newbashcomp "${ED}"/usr/bin/completion.bash ${PN}
- #if use zsh-completion ; then
- # insinto /usr/share/zsh/site-functions
- # newins "${ED}"/usr/bin/completion.zsh _${PN}
- #fi
- #rm -f "${ED}"usr/bin/completion.*
+ # drop non needed staff
+ rm -f "${ED}"usr/bin/gmx-completion*
rm -f "${ED}"usr/bin/g_options*
rm -f "${ED}"usr/bin/GMXRC*
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild
b/sci-chemistry/gromacs/gromacs-9999.ebuild
index 11be99e..6ccbd8e 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -4,7 +4,7 @@
EAPI=5
-TEST_PV="5.0-beta1"
+TEST_PV="5.0-rc1"
CMAKE_MAKEFILE_GENERATOR="ninja"
@@ -16,13 +16,13 @@ if [[ $PV = *9999* ]]; then
git://github.com/gromacs/gromacs.git
http://repo.or.cz/r/gromacs.git";
EGIT_BRANCH="master"
- inherit git-2
+ inherit git-r3
else
SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz
- test? (
http://${PN}.googlecode.com/files/regressiontests-${TEST_PV}.tar.gz )"
+ test? (
http://gerrit.gromacs.org/download/regressiontests-${TEST_PV}.tar.gz )"
fi
-ACCE_IUSE="sse2 sse4_1 avx128fma avx256"
+ACCE_IUSE="sse2 sse4_1 avx_128_fma avx_256 avx2_256"
DESCRIPTION="The ultimate molecular dynamics simulation package"
HOMEPAGE="http://www.gromacs.org/";
@@ -33,7 +33,7 @@ HOMEPAGE="http://www.gromacs.org/";
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? (
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
SLOT="0/${PV}"
KEYWORDS=""
-IUSE="X blas cuda +doc -double-precision +fftw gsl lapack mkl mpi +offensive
openmp +single-precision test +threads zsh-completion ${ACCE_IUSE}"
+IUSE="X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive
openmp +single-precision test +threads +tng ${ACCE_IUSE}"
CDEPEND="
X? (
@@ -42,9 +42,9 @@ CDEPEND="
x11-libs/libICE
)
blas? ( virtual/blas )
+ boost? ( >=dev-libs/boost-1.55 )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
fftw? ( sci-libs/fftw:3.0 )
- gsl? ( sci-libs/gsl )
lapack? ( virtual/lapack )
mkl? ( sci-libs/mkl )
mpi? ( virtual/mpi )
@@ -80,12 +80,12 @@ src_unpack() {
if [[ ${PV} != *9999 ]]; then
default
else
- git-2_src_unpack
+ git-r3_src_unpack
if use test; then
EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
EGIT_BRANCH="master" EGIT_NOUNPACK="yes"
EGIT_COMMIT="master" \
EGIT_SOURCEDIR="${WORKDIR}/regressiontests"\
- git-2_src_unpack
+ git-r3_src_unpack
fi
fi
}
@@ -119,8 +119,9 @@ src_configure() {
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 avx_128_fma && acce="AVX_128_FMA"
+ use avx_256 && acce="AVX_256"
+ use avx2_256 && acee="AVX2_256"
#to create man pages, build tree binaries are executed (bug #398437)
[[ ${CHOST} = *-darwin* ]] && \
@@ -147,16 +148,16 @@ src_configure() {
"${fft_opts[@]}"
$(cmake-utils_use X GMX_X11)
$(cmake-utils_use blas GMX_EXTERNAL_BLAS)
- $(cmake-utils_use gsl GMX_GSL)
$(cmake-utils_use lapack GMX_EXTERNAL_LAPACK)
$(cmake-utils_use openmp GMX_OPENMP)
$(cmake-utils_use offensive GMX_COOL_QUOTES)
+ $(cmake-utils_use boost GMX_EXTERNAL_BOOST)
+ $(cmake-utils_use tng GMX_USE_TNG)
$(cmake-utils_use doc GMX_BUILD_MANUAL)
-DGMX_DEFAULT_SUFFIX=off
-DGMX_SIMD="$acce"
-DGMX_LIB_INSTALL_DIR="$(get_libdir)"
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
- -DGMX_PREFIX_LIBMD=ON
-DGMX_X86_AVX_GCC_MASKLOAD_BUG=OFF
-DGMX_USE_GCC44_BUG_WORKAROUND=OFF
-DBUILD_TESTING=OFF
@@ -194,6 +195,7 @@ src_configure() {
-DGMX_MPI=ON ${cuda}
-DGMX_OPENMM=OFF
-DGMX_BUILD_MDRUN_ONLY=ON
+ -DBUILD_SHARED_LIBS=OFF
-DGMX_BUILD_MANUAL=OFF
-DGMX_BINARY_SUFFIX="_mpi${suffix}"
-DGMX_LIBS_SUFFIX="_mpi${suffix}"
@@ -207,6 +209,9 @@ src_compile() {
einfo "Compiling for ${x} precision"
BUILD_DIR="${WORKDIR}/${P}_${x}"\
cmake-utils_src_compile
+ # generate bash completion
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\
+ cmake-utils_src_compile completion
if use doc; then
BUILD_DIR="${WORKDIR}/${P}_${x}"\
cmake-utils_src_compile manual
@@ -232,17 +237,13 @@ src_install() {
if use doc; then
newdoc "${WORKDIR}/${P}_${x}"/manual/gromacs.pdf
"${PN}-manual-${PV}.pdf"
fi
+ newbashcomp
"${WORKDIR}/${P}_${x}"/src/programs/completion/gmx-completion.bash gromacs
use mpi || continue
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
cmake-utils_src_install
done
-
- #newbashcomp "${ED}"/usr/bin/completion.bash ${PN}
- #if use zsh-completion ; then
- # insinto /usr/share/zsh/site-functions
- # newins "${ED}"/usr/bin/completion.zsh _${PN}
- #fi
- #rm -f "${ED}"usr/bin/completion.*
+ # drop non needed staff
+ rm -f "${ED}"usr/bin/gmx-completion*
rm -f "${ED}"usr/bin/g_options*
rm -f "${ED}"usr/bin/GMXRC*
diff --git a/sci-chemistry/gromacs/metadata.xml
b/sci-chemistry/gromacs/metadata.xml
index 49684a9..c3bf63e 100644
--- a/sci-chemistry/gromacs/metadata.xml
+++ b/sci-chemistry/gromacs/metadata.xml
@@ -9,11 +9,16 @@
<use>
<flag name="cuda">Enable cuda non-bonded kernels</flag>
<flag name="double-precision">More precise calculations at the expense of
speed</flag>
- <flag name="single-precision">Single precision version of gromacs
(default)</flag>
+ <flag name="single-precision">Single precision version of gromacs
(default)</flag>
+ <flag name="boost">Enable external boost library</flag>
+ <flag name="tng">Enable new trajectory format - tng</flag>
<!-- acceleration optimization flags -->
<flag name="sse4_1">Enable sse4.1 acceleration</flag>
- <flag name="avx128fma">Enable 128bit avx with fma (e.g. AMD
BullDozer)</flag>
- <flag name="avx256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
+ <flag name="avx128fma">Enable 128bit avx with fma (e.g. AMD
BullDozer)</flag>
+ <flag name="avx_128_fma">Enable 128bit avx with fma (e.g. AMD
BullDozer)</flag>
+ <flag name="avx256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
+ <flag name="avx_256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
+ <flag name="avx2_256">Enable 256bit avx2 (e.g. Intel Haswell)</flag>
<flag name="offensive">Enable gromacs partly offensive quotes</flag>
<flag name="openmm">Add acceleration through
<pkg>sci-libs/openmm</pkg></flag>
<flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack
routines</flag>
