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merge 2023.06 in gromacs_2021b
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lara committed Aug 24, 2023
2 parents b662fc0 + 468d2c2 commit a15021d
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Showing 6 changed files with 29 additions and 3 deletions.
2 changes: 1 addition & 1 deletion .github/workflows/test_eessi.yml
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ on: [push, pull_request, workflow_dispatch]
permissions:
contents: read # to fetch code (actions/checkout)
jobs:
eessi_pilot_repo:
pilot:
runs-on: ubuntu-20.04
strategy:
fail-fast: false
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1 change: 1 addition & 0 deletions EESSI-pilot-install-software.sh
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Expand Up @@ -30,6 +30,7 @@ function copy_build_log() {
fi
mkdir -p $(dirname ${build_log_path})
cp -a ${build_log} ${build_log_path}
chmod 0644 ${build_log_path}

# add context to end of copied log file
echo >> ${build_log_path}
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21 changes: 20 additions & 1 deletion eb_hooks.py
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Expand Up @@ -164,10 +164,11 @@ def parse_hook_openblas_relax_lapack_tests_num_errors(ec, eprefix):
if ec.name == 'OpenBLAS':
# relax maximum number of failed numerical LAPACK tests on Arm 64-bit systems,
# since the default setting of 150 that works well on x86_64 is a bit too strict
# See https://github.com/EESSI/software-layer/issues/314
cfg_option = 'max_failing_lapack_tests_num_errors'
if get_cpu_architecture() == AARCH64:
orig_value = ec[cfg_option]
ec[cfg_option] = 300
ec[cfg_option] = 400
print_msg("Maximum number of failing LAPACK tests with numerical errors for %s relaxed to %s (was %s)",
ec.name, ec[cfg_option], orig_value)
else:
Expand Down Expand Up @@ -258,6 +259,20 @@ def pre_configure_hook_wrf_aarch64(self, *args, **kwargs):
else:
raise EasyBuildError("WRF-specific hook triggered for non-WRF easyconfig?!")

def pre_test_hook(self,*args, **kwargs):
"""Main pre-test hook: trigger custom functions based on software name."""
if self.name in PRE_TEST_HOOKS:
PRE_TEST_HOOKS[self.name](self, *args, **kwargs)

def pre_test_hook_ignore_failing_tests_SciPybundle(self, *args, **kwargs):
"""
Pre-test hook for SciPy-bundle: skip failing tests for SciPy-bundle 2021.10 (currently the only version that is failing).
In previous versions we were not as strict yet on the numpy/SciPy tests
"""
cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR')
if self.name == 'SciPy-bundle' and self.version == '2021.10' and cpu_target == 'aarch64/neoverse_v1':
self.cfg['testopts'] = "|| echo ignoring failing tests"


PARSE_HOOKS = {
'CGAL': parse_hook_cgal_toolchainopts_precise,
Expand All @@ -277,3 +292,7 @@ def pre_configure_hook_wrf_aarch64(self, *args, **kwargs):
'OpenBLAS': pre_configure_hook_openblas_optarch_generic,
'WRF': pre_configure_hook_wrf_aarch64,
}

PRE_TEST_HOOKS = {
'SciPy-bundle': pre_test_hook_ignore_failing_tests_SciPybundle,
}
2 changes: 1 addition & 1 deletion eessi-2023.06-eb-4.7.2-2021b.yml
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Expand Up @@ -12,5 +12,5 @@ easyconfigs:
- FlexiBLAS-3.0.4-GCC-11.2.0.eb
- foss-2021b.eb
- QuantumESPRESSO-6.8-foss-2021b.eb
- SciPy-bundle-2021.10-foss-2021b
- GROMACS-2021.5-foss-2021b.eb

1 change: 1 addition & 0 deletions eessi-2023.06-eb-4.7.2-2022a.yml
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@@ -1,2 +1,3 @@
easyconfigs:
- GCC-11.3.0
- OpenMPI-4.1.4-GCC-11.3.0.eb
5 changes: 5 additions & 0 deletions eessi-2023.06-eb-4.7.2-2022b.yml
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@@ -1,2 +1,7 @@
easyconfigs:
- GCC-12.2.0
- OpenMPI-4.1.4-GCC-12.2.0
- CMake-3.24.3-GCCcore-12.2.0.eb:
options:
include-easyblocks-from-pr: 2248
- foss-2022b

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