diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index b4d8da5798..6d3fd600ac 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -57,7 +57,7 @@ class Gromacs(CMakePackage): version('4.6.7', sha256='6afb1837e363192043de34b188ca3cf83db6bd189601f2001a1fc5b0b2a214d9') version('4.5.5', sha256='e0605e4810b0d552a8761fef5540c545beeaf85893f4a6e21df9905a33f871ba') - variant('mpi', default=True, description='Activate MPI support') + variant('mpi', default=True, description='Activate MPI support (disable for Thread-MPI support)') variant('shared', default=True, description='Enables the build of shared libraries') variant( @@ -195,7 +195,8 @@ class Gromacs(CMakePackage): options.extend([ '-DCMAKE_C_COMPILER=%s' % spack_cc, '-DCMAKE_CXX_COMPILER=%s' % spack_cxx, - '-DGMX_MPI:BOOL=OFF']) + '-DGMX_MPI:BOOL=OFF', + '-DGMX_THREAD_MPI:BOOL=ON']) if self.spec.satisfies('@2020:'): options.append('-DGMX_INSTALL_LEGACY_API=ON') |