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| author | Gvozden Neskovic <neskovic@gmail.com> | 2020-09-02 17:07:43 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-09-02 09:07:43 -0600 |
| commit | 1e05321c8fa28ede1a228c47b4f6b2e753124d0a (patch) | |
| tree | 3bf9d0eb1fad8a5845afe30d99cb2a13cfba4b73 /var | |
| parent | d904c57d2be9699597364ca802d1c4944a23fc88 (diff) | |
| download | spack-1e05321c8fa28ede1a228c47b4f6b2e753124d0a.tar.gz spack-1e05321c8fa28ede1a228c47b4f6b2e753124d0a.tar.bz2 spack-1e05321c8fa28ede1a228c47b4f6b2e753124d0a.tar.xz spack-1e05321c8fa28ede1a228c47b4f6b2e753124d0a.zip | |
gromacs: add support for opencl build (#18461)
Co-authored-by: Gvozden Nešković <neskovic@dev06.compeng.uni-frankfurt.de>
Diffstat (limited to 'var')
| -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']: |