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fix condition in GROMACS hook
1 parent cf4ee49 commit f51b156

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eb_hooks.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -615,7 +615,7 @@ def pre_configure_hook_gromacs(self, *args, **kwargs):
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"""
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if self.name == 'GROMACS':
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cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR')
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if LooseVersion(self.version) <= LooseVersion('2024.1') and cpu_target == CPU_TARGET_NEOVERSE_V1 or LooseVersion(self.version) <= LooseVersion('2024.4') and CPU_TARGET_NVIDIA_GRACE:
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if (LooseVersion(self.version) <= LooseVersion('2024.1') and cpu_target == CPU_TARGET_NEOVERSE_V1) or (LooseVersion(self.version) <= LooseVersion('2024.4') and CPU_TARGET_NVIDIA_GRACE):
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self.cfg.update('configopts', '-DGMX_SIMD=ARM_NEON_ASIMD')
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print_msg(
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"Avoiding use of SVE instructions for GROMACS %s by using ARM_NEON_ASIMD as GMX_SIMD value",

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