From 3172f57910cedcae8092ea7c748acfe52545c25c Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Sun, 15 Mar 2020 07:36:50 -0600 Subject: sci-physics/lammps: add kokkos support Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans --- sci-physics/lammps/lammps-20200303.ebuild | 5 ++++- sci-physics/lammps/metadata.xml | 1 + 2 files changed, 5 insertions(+), 1 deletion(-) (limited to 'sci-physics') 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. Enable cuda non-bonded kernels + Enable kokkos non-bonded kernels nicolasbock@gentoo.org -- cgit v1.2.3-65-gdbad