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{2023.06}[foss/2023b] LAMMPS 29Aug2024 #725

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merged 7 commits into from
Sep 29, 2024
Merged

{2023.06}[foss/2023b] LAMMPS 29Aug2024 #725

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3d43781
{2023}
Sep 19, 2024
8adaaaf
update hook for v29Aug2024
Sep 19, 2024
09bfb97
update missing installations hook
Sep 19, 2024
db91170
use --from-commit
Sep 19, 2024
0e19946
update eb_hook so that EasyBuildError is not not trigered for unliste…
Sep 27, 2024
aa5fade
set kokkos hoop for zen4
laraPPr Sep 27, 2024
abbbf35
fix hook
laraPPr Sep 27, 2024
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5 changes: 5 additions & 0 deletions easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.9.3-2023b.yml
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Original file line number Diff line number Diff line change
@@ -0,0 +1,5 @@
easyconfigs:
- LAMMPS-29Aug2024-foss-2023b-kokkos.eb:
# see https://github.com/easybuilders/easybuild-easyconfigs/pull/21436
options:
from-pr: 21436
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10 changes: 5 additions & 5 deletions eb_hooks.py
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Expand Up @@ -297,19 +297,19 @@ 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 ec.name == 'LAMMPS' and ec.version in ('2Aug2023_update2', '29Aug2024'):
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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')]
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?!")

Expand Down Expand Up @@ -776,7 +776,7 @@ 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,
Expand Down
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