diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/gromacs/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 12 |
1 files changed, 9 insertions, 3 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 8042e38864..a5e55b9bb2 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -59,6 +59,7 @@ 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('nosuffix', default=False, description='Disable default suffixes') variant('build_type', default='RelWithDebInfo', description='The build type to build', @@ -130,13 +131,18 @@ class Gromacs(CMakePackage): else: options.append('-DGMX_HWLOC:BOOL=OFF') - if '+cuda' in self.spec: + if '+cuda' in self.spec or '+opencl' in self.spec: options.append('-DGMX_GPU:BOOL=ON') - options.append('-DCUDA_TOOLKIT_ROOT_DIR:STRING=' + - self.spec['cuda'].prefix) else: options.append('-DGMX_GPU:BOOL=OFF') + if '+cuda' in self.spec: + options.append('-DCUDA_TOOLKIT_ROOT_DIR:STRING=' + + self.spec['cuda'].prefix) + + if '+opencl' in self.spec: + options.append('-DGMX_USE_OPENCL=on') + # Activate SIMD based on properties of the target target = self.spec.target if target >= llnl.util.cpu.targets['bulldozer']: |