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Clarify GROMACS relaxed double option (#21510)

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* Clarify relaxed double precision option

This is only intended for use on the Fujitsu PRIMEHPC platform

* Fix typo

* Shorten line to keep linter happy
This commit is contained in:
Mark Abraham 2021-02-07 13:29:53 +01:00 committed by GitHub
parent 5f75221522
commit 9414b11490
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GPG key ID: 4AEE18F83AFDEB23
1 changed files with 3 additions and 3 deletions
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6
var/spack/repos/builtin/packages/gromacs/package.py
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@ -73,8 +73,8 @@ class Gromacs(CMakePackage):
' of libgromacs and/or the mdrun program') ' of libgromacs and/or the mdrun program')
variant('openmp', default=True, variant('openmp', default=True,
description='Enables OpenMP at configure time') description='Enables OpenMP at configure time')
variant('double_precision', default=False, variant('relaxed_double_precision', default=False,
description='GMX_RELAXED_DOUBLE_PRECISION for Fujitsu PRIMEHPC') description='GMX_RELAXED_DOUBLE_PRECISION, use only for Fujitsu PRIMEHPC')
variant('hwloc', default=True, variant('hwloc', default=True,
description='Use the hwloc portable hardware locality library') description='Use the hwloc portable hardware locality library')
variant('lapack', default=False, variant('lapack', default=False,
@ -251,7 +251,7 @@ def cmake_args(self):
else: else:
options.append('-DGMX_OPENMP:BOOL=ON') options.append('-DGMX_OPENMP:BOOL=ON')
if '+double_precision' in self.spec: if '+relaxed_double_precision' in self.spec:
options.append('-DGMX_RELAXED_DOUBLE_PRECISION:BOOL=ON') options.append('-DGMX_RELAXED_DOUBLE_PRECISION:BOOL=ON')
else: else:
options.append('-DGMX_RELAXED_DOUBLE_PRECISION:BOOL=OFF') options.append('-DGMX_RELAXED_DOUBLE_PRECISION:BOOL=OFF')