diff --git a/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.9.3-2023b.yml b/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.9.3-2023b.yml new file mode 100644 index 0000000000..b3c903161a --- /dev/null +++ b/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.9.3-2023b.yml @@ -0,0 +1,5 @@ +easyconfigs: + - LAMMPS-29Aug2024-foss-2023b-kokkos.eb: + # see https://github.com/easybuilders/easybuild-easyconfigs/pull/21436 + options: + from-commit: 9dc24e57880a8adb06ae10557c5315e66671a533 diff --git a/eb_hooks.py b/eb_hooks.py index b3e457cfe3..4d13523e40 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -297,19 +297,20 @@ def parse_hook_ucx_eprefix(ec, eprefix): raise EasyBuildError("UCX-specific hook triggered for non-UCX easyconfig?!") -def parse_hook_lammps_remove_deps_for_CI_aarch64(ec, *args, **kwargs): +def parse_hook_lammps_remove_deps_for_aarch64(ec, *args, **kwargs): """ - Remove x86_64 specific dependencies for the CI to pass on aarch64 + Remove x86_64 specific dependencies for the CI and missing installations to pass on aarch64 """ - if ec.name == 'LAMMPS' and ec.version in ('2Aug2023_update2',): - if os.getenv('EESSI_CPU_FAMILY') == 'aarch64': - # ScaFaCoS and tbb are not compatible with aarch64/* CPU targets, - # so remove them as dependencies for LAMMPS (they're optional); - # see also https://github.com/easybuilders/easybuild-easyconfigs/pull/19164 + - # https://github.com/easybuilders/easybuild-easyconfigs/pull/19000; - # we need this hook because we check for missing installations for all CPU targets - # on an x86_64 VM in GitHub Actions (so condition based on ARCH in LAMMPS easyconfig is always true) - ec['dependencies'] = [dep for dep in ec['dependencies'] if dep[0] not in ('ScaFaCoS', 'tbb')] + if ec.name == 'LAMMPS': + if ec.version in ('2Aug2023_update2', '29Aug2024'): + if os.getenv('EESSI_CPU_FAMILY') == 'aarch64': + # ScaFaCoS and tbb are not compatible with aarch64/* CPU targets, + # so remove them as dependencies for LAMMPS (they're optional); + # see also https://github.com/easybuilders/easybuild-easyconfigs/pull/19164 + + # https://github.com/easybuilders/easybuild-easyconfigs/pull/19000; + # we need this hook because we check for missing installations for all CPU targets + # on an x86_64 VM in GitHub Actions (so condition based on ARCH in LAMMPS easyconfig is always true) + ec['dependencies'] = [dep for dep in ec['dependencies'] if dep[0] not in ('ScaFaCoS', 'tbb',)] else: raise EasyBuildError("LAMMPS-specific hook triggered for non-LAMMPS easyconfig?!") @@ -524,7 +525,7 @@ def pre_configure_hook_LAMMPS_zen4(self, *args, **kwargs): cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR') if self.name == 'LAMMPS': - if self.version == '2Aug2023_update2': + if self.version in ('2Aug2023_update2', '29Aug2024'): if get_cpu_architecture() == X86_64: if cpu_target == CPU_TARGET_ZEN4: # There is no support for ZEN4 in LAMMPS yet so falling back to ZEN3 @@ -776,7 +777,7 @@ def inject_gpu_property(ec): 'CGAL': parse_hook_cgal_toolchainopts_precise, 'fontconfig': parse_hook_fontconfig_add_fonts, 'grpcio': parse_hook_grpcio_zlib, - 'LAMMPS': parse_hook_lammps_remove_deps_for_CI_aarch64, + 'LAMMPS': parse_hook_lammps_remove_deps_for_aarch64, 'CP2K': parse_hook_CP2K_remove_deps_for_aarch64, 'OpenBLAS': parse_hook_openblas_relax_lapack_tests_num_errors, 'pybind11': parse_hook_pybind11_replace_catch2,