diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 6476f32dcd638b6e307d5029cc69d617fbe70fe1..6709505537435211abaa4701b11bb6dcbe50a89e 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -87,6 +87,8 @@ def cmake_args(self): options.append('-DGMX_GPU:BOOL=ON') options.append('-DCUDA_TOOLKIT_ROOT_DIR:STRING=' + self.spec['cuda'].prefix) + else: + options.append('-DGMX_GPU:BOOL=OFF') simd_value = self.spec.variants['simd'].value if simd_value == 'auto':