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authorRyan S. Elliott <relliott@umn.edu>2021-02-11 20:10:45 -0600
committerGitHub <noreply@github.com>2021-02-11 19:10:45 -0700
commitf92580240e8e4b50b68d4a26a0c6286a096dcd4f (patch)
tree683782cd8ae497637f28b058c782b2d83990ecad
parent58b9c6daddb84e34f4a6439d3ada978a4467e730 (diff)
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Add support for KIM package in LAMMPS (#21638)
-rw-r--r--var/spack/repos/builtin/packages/lammps/package.py5
1 files changed, 5 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/lammps/package.py b/var/spack/repos/builtin/packages/lammps/package.py
index 7d3df3e7cb..509d17d2d6 100644
--- a/var/spack/repos/builtin/packages/lammps/package.py
+++ b/var/spack/repos/builtin/packages/lammps/package.py
@@ -87,6 +87,8 @@ class Lammps(CMakePackage, CudaPackage):
description='Build with png support')
variant('ffmpeg', default=True,
description='Build with ffmpeg support')
+ variant('kim', default=True,
+ description='Build with KIM support')
variant('openmp', default=True, description='Build with OpenMP')
variant('opencl', default=False, description='Build with OpenCL')
variant('exceptions', default=False,
@@ -114,6 +116,7 @@ class Lammps(CMakePackage, CudaPackage):
depends_on('mpi', when='+user-h5md')
depends_on('hdf5', when='+user-h5md')
depends_on('jpeg', when='+jpeg')
+ depends_on('kim-api', when='+kim')
depends_on('libpng', when='+png')
depends_on('ffmpeg', when='+ffmpeg')
depends_on('kokkos+deprecated_code+shared@3.0', when='@20200303+kokkos')
@@ -205,6 +208,8 @@ class Lammps(CMakePackage, CudaPackage):
args.append('{0}=ON'.format(opt))
else:
args.append('{0}=OFF'.format(opt))
+ if '+kim' in spec:
+ args.append('-DPKG_KIM=ON')
if '+kspace' in spec:
if '^fftw' in spec:
args.append('-DFFT=FFTW3')