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| author | Sajid Ali <30510036+s-sajid-ali@users.noreply.github.com> | 2020-10-02 15:53:50 -0500 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-10-02 13:53:50 -0700 |
| commit | 9ba83e6cc6fe04b84d03001bb6d70164764cbdff (patch) | |
| tree | d0a0202aa88260c011e94fbd4857db1fd71be4a4 | |
| parent | 3052e003e0ce8a496c854831e93265aa5afb1909 (diff) | |
| download | spack-9ba83e6cc6fe04b84d03001bb6d70164764cbdff.tar.gz spack-9ba83e6cc6fe04b84d03001bb6d70164764cbdff.tar.bz2 spack-9ba83e6cc6fe04b84d03001bb6d70164764cbdff.tar.xz spack-9ba83e6cc6fe04b84d03001bb6d70164764cbdff.zip | |
lammps: choose FFT implementation based on provider (#19060)
| -rw-r--r-- | var/spack/repos/builtin/packages/lammps/package.py | 7 |
1 files changed, 5 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/lammps/package.py b/var/spack/repos/builtin/packages/lammps/package.py index 550bf51de1..5f96f150c7 100644 --- a/var/spack/repos/builtin/packages/lammps/package.py +++ b/var/spack/repos/builtin/packages/lammps/package.py @@ -89,7 +89,7 @@ class Lammps(CMakePackage, CudaPackage): depends_on('mpi', when='+mpi') depends_on('mpi', when='+mpiio') - depends_on('fftw', when='+kspace') + depends_on('fftw-api@3', when='+kspace') depends_on('voropp+pic', when='+voronoi') depends_on('netcdf-c+mpi', when='+user-netcdf') depends_on('blas', when='+user-atc') @@ -182,7 +182,10 @@ class Lammps(CMakePackage, CudaPackage): else: args.append('{0}=OFF'.format(opt)) if '+kspace' in spec: - args.append('-DFFT=FFTW3') + if '^fftw' in spec: + args.append('-DFFT=FFTW3') + if '^mkl' in spec: + args.append('-DFFT=MKL') if '+kokkos' in spec: args.append('-DEXTERNAL_KOKKOS=ON') |