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gromacs: make package inherit from CudaPackage (#36551)

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To conform to spack way of specifying cuda_arch. This commit does
not change version-specific gencode handling for older gromacs
versions
This commit is contained in:
Daniel Ahlin 2023-04-04 05:10:47 +02:00 committed by GitHub
parent 3d923fd5b8
commit 5c0004bbc1
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1 changed files with 1 additions and 2 deletions
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var/spack/repos/builtin/packages/gromacs/package.py
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@ -10,7 +10,7 @@
from spack.package import * from spack.package import *
class Gromacs(CMakePackage): class Gromacs(CMakePackage, CudaPackage):
"""GROMACS is a molecular dynamics package primarily designed for simulations """GROMACS is a molecular dynamics package primarily designed for simulations
of proteins, lipids and nucleic acids. It was originally developed in of proteins, lipids and nucleic acids. It was originally developed in
the Biophysical Chemistry department of University of Groningen, and is now the Biophysical Chemistry department of University of Groningen, and is now
@ -87,7 +87,6 @@ class Gromacs(CMakePackage):
description="Produces a double precision version of the executables", description="Produces a double precision version of the executables",
) )
variant("plumed", default=False, description="Enable PLUMED support") variant("plumed", default=False, description="Enable PLUMED support")
variant("cuda", default=False, description="Enable CUDA support")
variant("opencl", default=False, description="Enable OpenCL support") variant("opencl", default=False, description="Enable OpenCL support")
variant("sycl", default=False, description="Enable SYCL support") variant("sycl", default=False, description="Enable SYCL support")
variant("nosuffix", default=False, description="Disable default suffixes") variant("nosuffix", default=False, description="Disable default suffixes")