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| author | Ryan S. Elliott <relliott@umn.edu> | 2021-02-11 20:10:45 -0600 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2021-02-11 19:10:45 -0700 |
| commit | f92580240e8e4b50b68d4a26a0c6286a096dcd4f (patch) | |
| tree | 683782cd8ae497637f28b058c782b2d83990ecad | |
| parent | 58b9c6daddb84e34f4a6439d3ada978a4467e730 (diff) | |
| download | spack-f92580240e8e4b50b68d4a26a0c6286a096dcd4f.tar.gz spack-f92580240e8e4b50b68d4a26a0c6286a096dcd4f.tar.bz2 spack-f92580240e8e4b50b68d4a26a0c6286a096dcd4f.tar.xz spack-f92580240e8e4b50b68d4a26a0c6286a096dcd4f.zip | |
Add support for KIM package in LAMMPS (#21638)
| -rw-r--r-- | var/spack/repos/builtin/packages/lammps/package.py | 5 |
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') |