From 5c0004bbc1f28a5c23f2bbcd66d8bd8b4c6ef361 Mon Sep 17 00:00:00 2001 From: Daniel Ahlin <50445206+danielahlin@users.noreply.github.com> Date: Tue, 4 Apr 2023 05:10:47 +0200 Subject: [PATCH] gromacs: make package inherit from CudaPackage (#36551) To conform to spack way of specifying cuda_arch. This commit does not change version-specific gencode handling for older gromacs versions --- var/spack/repos/builtin/packages/gromacs/package.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 0871a0a2ed..e49dad2ef9 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -10,7 +10,7 @@ from spack.package import * -class Gromacs(CMakePackage): +class Gromacs(CMakePackage, CudaPackage): """GROMACS is a molecular dynamics package primarily designed for simulations of proteins, lipids and nucleic acids. It was originally developed in 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", ) 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("sycl", default=False, description="Enable SYCL support") variant("nosuffix", default=False, description="Disable default suffixes")