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gromacs: make single precision default value True.
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easybuild/easyblocks/g/gromacs.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -63,7 +63,7 @@ def extra_options():
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extra_vars.update({
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'double_precision': [None, "Build with double precision enabled (-DGMX_DOUBLE=ON), " +
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"default is to build double precision unless CUDA is enabled", CUSTOM],
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'single_precision': [None, "Build with single precision enabled (-DGMX_DOUBLE=OFF), " +
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'single_precision': [True, "Build with single precision enabled (-DGMX_DOUBLE=OFF), " +
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"default is to build single precision", CUSTOM],
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'mpisuffix': ['_mpi', "Suffix to append to MPI-enabled executables (only for GROMACS < 4.6)", CUSTOM],
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'mpiexec': ['mpirun', "MPI executable to use when running tests", CUSTOM],
@@ -747,7 +747,7 @@ def run_all_steps(self, *args, **kwargs):
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}
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precisions = []
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if self.cfg.get('single_precision') is None or self.cfg.get('single_precision'):
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if self.cfg.get('single_precision'):
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precisions.append('single')
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if self.cfg.get('double_precision') is None or self.cfg.get('double_precision'):
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precisions.append('double')

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