commit: e505c9758afd89769db26e1c46adce0215a0daea
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Jul 11 19:40:06 2016 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Jul 11 19:40:06 2016 +0000
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=e505c975
sci-chemistry/gromacs: Add 2016 RC1
Package-Manager: portage-2.3.0
sci-chemistry/gromacs/gromacs-2016.9999.ebuild | 10 ++++------
.../{gromacs-2016.9999.ebuild => gromacs-2016_rc1.ebuild} | 10 ++++------
sci-chemistry/gromacs/gromacs-9999.ebuild | 10 ++++------
sci-chemistry/gromacs/metadata.xml | 3 ++-
4 files changed, 14 insertions(+), 19 deletions(-)
diff --git a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
b/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
index b30ff55..1ca0343 100644
--- a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
@@ -18,7 +18,7 @@ if [[ $PV = *9999* ]]; then
KEYWORDS=""
else
SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz
- test? (
http://gerrit.gromacs.org/download/regressiontests-${PV}.tar.gz )"
+ test? (
http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )"
KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux
~x64-macos ~x86-macos"
fi
@@ -32,7 +32,7 @@ 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}"
-IUSE="X blas cuda +doc -double-precision +fftw lapack mkl mpi +offensive
openmp +single-precision test +threads +tng ${ACCE_IUSE}"
+IUSE="X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi
+offensive openmp +single-precision test +threads +tng ${ACCE_IUSE}"
CDEPEND="
X? (
@@ -43,6 +43,7 @@ CDEPEND="
blas? ( virtual/blas )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
fftw? ( sci-libs/fftw:3.0 )
+ hwloc? ( sys-apps/hwloc )
lapack? ( virtual/lapack )
mkl? ( sci-libs/mkl )
mpi? ( virtual/mpi )
@@ -149,15 +150,13 @@ src_configure() {
-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-DGMX_OPENMP=$(usex openmp)
-DGMX_COOL_QUOTES=$(usex offensive)
- -DGMX_EXTERNAL_BOOST=$(usex boost)
-DGMX_USE_TNG=$(usex tng)
-DGMX_BUILD_MANUAL=$(usex doc)
+ -DGMX_HWLOC=$(usex hwloc)
-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_X86_AVX_GCC_MASKLOAD_BUG=OFF
- -DGMX_USE_GCC44_BUG_WORKAROUND=OFF
-DBUILD_TESTING=OFF
-DGMX_BUILD_UNITTESTS=OFF
${extra}
@@ -179,7 +178,6 @@ src_configure() {
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
"${cuda[@]}"
- -DGMX_OPENMM=OFF
"$(use test && echo
-DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
-DGMX_BINARY_SUFFIX="${suffix}"
-DGMX_LIBS_SUFFIX="${suffix}"
diff --git a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
b/sci-chemistry/gromacs/gromacs-2016_rc1.ebuild
similarity index 96%
copy from sci-chemistry/gromacs/gromacs-2016.9999.ebuild
copy to sci-chemistry/gromacs/gromacs-2016_rc1.ebuild
index b30ff55..1ca0343 100644
--- a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2016_rc1.ebuild
@@ -18,7 +18,7 @@ if [[ $PV = *9999* ]]; then
KEYWORDS=""
else
SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz
- test? (
http://gerrit.gromacs.org/download/regressiontests-${PV}.tar.gz )"
+ test? (
http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )"
KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux
~x64-macos ~x86-macos"
fi
@@ -32,7 +32,7 @@ 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}"
-IUSE="X blas cuda +doc -double-precision +fftw lapack mkl mpi +offensive
openmp +single-precision test +threads +tng ${ACCE_IUSE}"
+IUSE="X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi
+offensive openmp +single-precision test +threads +tng ${ACCE_IUSE}"
CDEPEND="
X? (
@@ -43,6 +43,7 @@ CDEPEND="
blas? ( virtual/blas )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
fftw? ( sci-libs/fftw:3.0 )
+ hwloc? ( sys-apps/hwloc )
lapack? ( virtual/lapack )
mkl? ( sci-libs/mkl )
mpi? ( virtual/mpi )
@@ -149,15 +150,13 @@ src_configure() {
-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-DGMX_OPENMP=$(usex openmp)
-DGMX_COOL_QUOTES=$(usex offensive)
- -DGMX_EXTERNAL_BOOST=$(usex boost)
-DGMX_USE_TNG=$(usex tng)
-DGMX_BUILD_MANUAL=$(usex doc)
+ -DGMX_HWLOC=$(usex hwloc)
-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_X86_AVX_GCC_MASKLOAD_BUG=OFF
- -DGMX_USE_GCC44_BUG_WORKAROUND=OFF
-DBUILD_TESTING=OFF
-DGMX_BUILD_UNITTESTS=OFF
${extra}
@@ -179,7 +178,6 @@ src_configure() {
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
"${cuda[@]}"
- -DGMX_OPENMM=OFF
"$(use test && echo
-DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
-DGMX_BINARY_SUFFIX="${suffix}"
-DGMX_LIBS_SUFFIX="${suffix}"
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild
b/sci-chemistry/gromacs/gromacs-9999.ebuild
index b30ff55..1ca0343 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -18,7 +18,7 @@ if [[ $PV = *9999* ]]; then
KEYWORDS=""
else
SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz
- test? (
http://gerrit.gromacs.org/download/regressiontests-${PV}.tar.gz )"
+ test? (
http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )"
KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux
~x64-macos ~x86-macos"
fi
@@ -32,7 +32,7 @@ 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}"
-IUSE="X blas cuda +doc -double-precision +fftw lapack mkl mpi +offensive
openmp +single-precision test +threads +tng ${ACCE_IUSE}"
+IUSE="X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi
+offensive openmp +single-precision test +threads +tng ${ACCE_IUSE}"
CDEPEND="
X? (
@@ -43,6 +43,7 @@ CDEPEND="
blas? ( virtual/blas )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
fftw? ( sci-libs/fftw:3.0 )
+ hwloc? ( sys-apps/hwloc )
lapack? ( virtual/lapack )
mkl? ( sci-libs/mkl )
mpi? ( virtual/mpi )
@@ -149,15 +150,13 @@ src_configure() {
-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-DGMX_OPENMP=$(usex openmp)
-DGMX_COOL_QUOTES=$(usex offensive)
- -DGMX_EXTERNAL_BOOST=$(usex boost)
-DGMX_USE_TNG=$(usex tng)
-DGMX_BUILD_MANUAL=$(usex doc)
+ -DGMX_HWLOC=$(usex hwloc)
-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_X86_AVX_GCC_MASKLOAD_BUG=OFF
- -DGMX_USE_GCC44_BUG_WORKAROUND=OFF
-DBUILD_TESTING=OFF
-DGMX_BUILD_UNITTESTS=OFF
${extra}
@@ -179,7 +178,6 @@ src_configure() {
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
"${cuda[@]}"
- -DGMX_OPENMM=OFF
"$(use test && echo
-DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
-DGMX_BINARY_SUFFIX="${suffix}"
-DGMX_LIBS_SUFFIX="${suffix}"
diff --git a/sci-chemistry/gromacs/metadata.xml
b/sci-chemistry/gromacs/metadata.xml
index 0c7b107..e98cd51 100644
--- a/sci-chemistry/gromacs/metadata.xml
+++ b/sci-chemistry/gromacs/metadata.xml
@@ -17,7 +17,8 @@
<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="boost">Enable external boost library</flag>
+ <flag name="boost">Enable external boost library</flag>
+ <flag name="hwloc">Enable HWLoc lib support</flag>
<flag name="tng">Enable new trajectory format - tng</flag>
<flag name="make-symlinks">Create symbolic links for pre-5.0 binary
names</flag>
<!-- acceleration optimization flags -->
