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gromacs: make single precision default value True.
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akesandgren committed Nov 11, 2024
1 parent 539af08 commit 2739cf0
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions easybuild/easyblocks/g/gromacs.py
Original file line number Diff line number Diff line change
Expand Up @@ -63,7 +63,7 @@ def extra_options():
extra_vars.update({
'double_precision': [None, "Build with double precision enabled (-DGMX_DOUBLE=ON), " +
"default is to build double precision unless CUDA is enabled", CUSTOM],
'single_precision': [None, "Build with single precision enabled (-DGMX_DOUBLE=OFF), " +
'single_precision': [True, "Build with single precision enabled (-DGMX_DOUBLE=OFF), " +
"default is to build single precision", CUSTOM],
'mpisuffix': ['_mpi', "Suffix to append to MPI-enabled executables (only for GROMACS < 4.6)", CUSTOM],
'mpiexec': ['mpirun', "MPI executable to use when running tests", CUSTOM],
Expand Down Expand Up @@ -747,7 +747,7 @@ def run_all_steps(self, *args, **kwargs):
}

precisions = []
if self.cfg.get('single_precision') is None or self.cfg.get('single_precision'):
if self.cfg.get('single_precision'):
precisions.append('single')
if self.cfg.get('double_precision') is None or self.cfg.get('double_precision'):
precisions.append('double')
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