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authorChristoph Junghans <junghans@gentoo.org>2020-03-15 07:36:50 -0600
committerChristoph Junghans <junghans@gentoo.org>2020-03-15 07:37:13 -0600
commit3172f57910cedcae8092ea7c748acfe52545c25c (patch)
treeaeb4d6b9af967328097dd5ff7426a231b3418a4c /sci-physics
parentdev-cpp/kokkos: add missing RESTRICT (diff)
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sci-physics/lammps: add kokkos support
Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Diffstat (limited to 'sci-physics')
-rw-r--r--sci-physics/lammps/lammps-20200303.ebuild5
-rw-r--r--sci-physics/lammps/metadata.xml1
2 files changed, 5 insertions, 1 deletions
diff --git a/sci-physics/lammps/lammps-20200303.ebuild b/sci-physics/lammps/lammps-20200303.ebuild
index 025056ed1301..b159bd9a9469 100644
--- a/sci-physics/lammps/lammps-20200303.ebuild
+++ b/sci-physics/lammps/lammps-20200303.ebuild
@@ -23,7 +23,7 @@ SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar
LICENSE="GPL-2"
SLOT="0"
KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test"
RESTRICT="!test? ( test )"
DEPEND="
@@ -41,6 +41,7 @@ DEPEND="
sci-libs/fftw:3.0
netcdf? ( sci-libs/netcdf )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ kokkos? ( >=dev-cpp/kokkos-3.0.00 )
dev-cpp/eigen:3
"
RDEPEND="${DEPEND}"
@@ -69,6 +70,8 @@ src_configure() {
-DPKG_GRANULAR=ON
-DPKG_KSPACE=ON
-DFFT=FFTW3
+ -DPKG_KOKKOS=$(usex kokkos)
+ $(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
-DPKG_MANYBODY=ON
-DPKG_MC=ON
-DPKG_MEAM=ON
diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml
index be0e36d7abee..274aacacf7b6 100644
--- a/sci-physics/lammps/metadata.xml
+++ b/sci-physics/lammps/metadata.xml
@@ -20,6 +20,7 @@
call instead of malloc() when large chunks or memory are allocated
by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
<flag name="cuda">Enable cuda non-bonded kernels</flag>
+ <flag name="kokkos">Enable kokkos non-bonded kernels</flag>
</use>
<maintainer type="person">
<email>nicolasbock@gentoo.org</email>