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| author | Andras Wacha <awacha@users.noreply.github.com> | 2019-12-20 16:49:35 +0100 |
|---|---|---|
| committer | Christoph Junghans <junghans@lanl.gov> | 2019-12-20 08:49:35 -0700 |
| commit | 72eef17ff965330a69d176359e72f0cc8ca61d58 (patch) | |
| tree | f049fbd46fe7c7880694bc74326e0db70034b7bf | |
| parent | 48fb5b8b177de03a87bff876726ebaf3bf7ba77d (diff) | |
| download | spack-72eef17ff965330a69d176359e72f0cc8ca61d58.tar.gz spack-72eef17ff965330a69d176359e72f0cc8ca61d58.tar.bz2 spack-72eef17ff965330a69d176359e72f0cc8ca61d58.tar.xz spack-72eef17ff965330a69d176359e72f0cc8ca61d58.zip | |
Added hwloc dependency to gromacs (#14244)
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 7 |
1 files changed, 7 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 5df4bd907d..095a2ca12e 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -70,6 +70,7 @@ class Gromacs(CMakePackage): ' of libgromacs and/or the mdrun program') variant('openmp', default=True, description='Enables OpenMP at configure time') variant('double_precision', default=False, description='Enables a double-precision configuration') + variant('hwloc', default=True, description='Use the hwloc portable hardware locality library') depends_on('mpi', when='+mpi') depends_on('plumed+mpi', when='+plumed+mpi') @@ -78,6 +79,7 @@ class Gromacs(CMakePackage): depends_on('cmake@2.8.8:3.99.99', type='build') depends_on('cmake@3.4.3:3.99.99', type='build', when='@2018:') depends_on('cuda', when='+cuda') + depends_on('hwloc', when='+hwloc') patch('gmxDetectCpu-cmake-3.14.patch', when='@2018:2019.3^cmake@3.14.0:') patch('gmxDetectSimd-cmake-3.14.patch', when='@:2017.99^cmake@3.14.0:') @@ -99,6 +101,11 @@ class Gromacs(CMakePackage): if '~shared' in self.spec: options.append('-DBUILD_SHARED_LIBS:BOOL=OFF') + if '+hwloc' in self.spec: + options.append('-DGMX_HWLOC:BOOL=ON') + else: + options.append('-DGMX_HWLOC:BOOL=OFF') + if '+cuda' in self.spec: options.append('-DGMX_GPU:BOOL=ON') options.append('-DCUDA_TOOLKIT_ROOT_DIR:STRING=' + |