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replace plumed hook with updated easyconfig and add LAMMPS hook [cont…
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lara committed Oct 30, 2023
1 parent b26dc50 commit 9d13aa8
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Showing 2 changed files with 10 additions and 8 deletions.
14 changes: 6 additions & 8 deletions eb_hooks.py
Original file line number Diff line number Diff line change
Expand Up @@ -268,18 +268,16 @@ def pre_configure_hook_wrf_aarch64(self, *args, **kwargs):
raise EasyBuildError("WRF-specific hook triggered for non-WRF easyconfig?!")


def pre_configure_hook_PLUMED_aarch64(self, *args, **kwargs):
def pre_configure_hook_LAMMPS_aarch64(self, *args, **kwargs):
"""
pre-configure hook for PLUMED:
- remove unsupported --enable-asmjit option on aarch64
"""

if self.name == 'PLUMED':
if get_cpu_architecture() == AARCH64:
configopts = self.cfg['configopts']
regex = re.compile(r'--enable-asmjit')
if re.search(regex, configopts):
self.cfg['configopts'] = regex.sub('', configopts)
if self.name == 'LAMMPS':
if self.version == '23Jun2022':
if get_cpu_architecture() == AARCH64:
self.cfg['kokkos_arch'] = 'A64FX'
else:
raise EasyBuildError("PLUMED-specific hook triggered for non-PLUMED easyconfig?!")

Expand Down Expand Up @@ -362,7 +360,7 @@ def pre_single_extension_isoband(ext, *args, **kwargs):
'MetaBAT': pre_configure_hook_metabat_filtered_zlib_dep,
'OpenBLAS': pre_configure_hook_openblas_optarch_generic,
'WRF': pre_configure_hook_wrf_aarch64,
'PLUMED': pre_configure_hook_PLUMED_aarch64,
'PLUMED': pre_configure_hook_LAMMPS_aarch64,
}

PRE_TEST_HOOKS = {
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4 changes: 4 additions & 0 deletions eessi-2023.06-eb-4.8.1-2021b.yml
Original file line number Diff line number Diff line change
Expand Up @@ -5,6 +5,10 @@ easyconfigs:
options:
from-pr: 18834
- R-4.2.0-foss-2021b.eb
- PLUMED-2.7.3-foss-2021b.eb:
# the --enable-asmjit is not supported on Aarch64
options:
from-pr: 19110
- LAMMPS-23Jun2022-foss-2021b-kokkos.eb:
# TBB is an optional dependency when building on Intel arch
options:
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