From 9d13aa874e1961029f0d73634351db07f5a19eb4 Mon Sep 17 00:00:00 2001 From: lara Date: Mon, 30 Oct 2023 16:12:31 +0100 Subject: [PATCH] replace plumed hook with updated easyconfig and add LAMMPS hook [context](https://gitlab.com/eessi/support/-/issues/10#note_1625972083) --- eb_hooks.py | 14 ++++++-------- eessi-2023.06-eb-4.8.1-2021b.yml | 4 ++++ 2 files changed, 10 insertions(+), 8 deletions(-) diff --git a/eb_hooks.py b/eb_hooks.py index 3147fc9bf5..28ee7907a4 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -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?!") @@ -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 = { diff --git a/eessi-2023.06-eb-4.8.1-2021b.yml b/eessi-2023.06-eb-4.8.1-2021b.yml index 1414df5e44..30035fa837 100644 --- a/eessi-2023.06-eb-4.8.1-2021b.yml +++ b/eessi-2023.06-eb-4.8.1-2021b.yml @@ -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: