diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/lammps/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/lammps/package.py | 11 |
1 files changed, 11 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/lammps/package.py b/var/spack/repos/builtin/packages/lammps/package.py index 097870aff6..5b8601dcf1 100644 --- a/var/spack/repos/builtin/packages/lammps/package.py +++ b/var/spack/repos/builtin/packages/lammps/package.py @@ -642,6 +642,13 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): multi=False, ) variant( + "heffte", + default=False, + when="+kspace @20240207:", + description="Use heffte as distubuted FFT engine", + ) + + variant( "fft_kokkos", default="fftw3", when="@20240417: +kspace+kokkos", @@ -663,6 +670,9 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): depends_on("mpi", when="+mpi") depends_on("mpi", when="+mpiio") depends_on("fftw-api@3", when="+kspace fft=fftw3") + depends_on("heffte", when="+heffte") + depends_on("heffte+fftw", when="+heffte fft=fftw3") + depends_on("heffte+mkl", when="+heffte fft=mkl") depends_on("mkl", when="+kspace fft=mkl") depends_on("hipfft", when="+kokkos+kspace+rocm fft_kokkos=hipfft") depends_on("fftw-api@3", when="+kokkos+kspace fft_kokkos=fftw3") @@ -927,6 +937,7 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): if spec.satisfies("+kspace"): args.append(self.define_from_variant("FFT", "fft")) + args.append(self.define_from_variant("FFT_USE_HEFFTE", "heffte")) if spec.satisfies("fft=fftw3 ^armpl-gcc") or spec.satisfies("fft=fftw3 ^acfl"): args.append(self.define("FFTW3_LIBRARY", self.spec["fftw-api"].libs[0])) args.append( |