diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/lammps/package.py | 9 |
1 files changed, 7 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/lammps/package.py b/var/spack/repos/builtin/packages/lammps/package.py index 5f96f150c7..b209931424 100644 --- a/var/spack/repos/builtin/packages/lammps/package.py +++ b/var/spack/repos/builtin/packages/lammps/package.py @@ -64,7 +64,7 @@ class Lammps(CMakePackage, CudaPackage): 'qeq', 'replica', 'rigid', 'shock', 'snap', 'spin', 'srd', 'user-atc', 'user-h5md', 'user-lb', 'user-meamc', 'user-misc', 'user-netcdf', 'user-omp', - 'user-reaxc', 'voronoi'] + 'user-reaxc', 'voronoi', 'opt'] for pkg in supported_packages: variant(pkg, default=False, @@ -95,7 +95,6 @@ class Lammps(CMakePackage, CudaPackage): depends_on('blas', when='+user-atc') depends_on('lapack', when='+user-atc') depends_on('opencl', when='+opencl') - depends_on('latte@1.0.1', when='@:20180222+latte') depends_on('latte@1.1.1:', when='@20180316:20180628+latte') depends_on('latte@1.2.1:', when='@20180629:20200505+latte') @@ -186,6 +185,12 @@ class Lammps(CMakePackage, CudaPackage): args.append('-DFFT=FFTW3') if '^mkl' in spec: args.append('-DFFT=MKL') + if '^amdfftw' in spec: + fftw_prefix = spec['amdfftw'].prefix + args.append('-DFFTW_HOME={0}'.format(fftw_prefix)) + args.append('-DFFTW_INCLUDE_DIRS={0}' + .format(fftw_prefix.include)) + args.append('-DFFTW_LIBRARY_DIRS={0}'.format(fftw_prefix.lib)) if '+kokkos' in spec: args.append('-DEXTERNAL_KOKKOS=ON') |