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add option to run unittests of LAMMPS #3789

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laraPPr wants to merge 9 commits into from
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add option to run unittests of LAMMPS #3789

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9e209bb
add option to run unittests of LAMMPS
laraPPr Jun 18, 2025
afa3be0
run by default since last
laraPPr Jun 18, 2025
f3bc477
set runtest to True when not set in easyconfig
laraPPr Jun 19, 2025
124b8e1
Update easybuild/easyblocks/l/lammps.py
laraPPr Jun 19, 2025
b60c23a
commit update ctest command
laraPPr Jun 19, 2025
f5c3736
break up to long line
laraPPr Jun 19, 2025
092f917
add RPATH configopt when RPATH is enabled
laraPPr Jun 20, 2025
bc17d93
filter out the ctest that requires the lammps python library
laraPPr Jun 23, 2025
a23b7f6
update filter for unittest
laraPPr Jun 24, 2025
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4 changes: 4 additions & 0 deletions easybuild/easyblocks/l/lammps.py
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Original file line number Diff line number Diff line change
Expand Up @@ -243,6 +243,7 @@ def extra_options(**kwargs):
'kokkos_arch': [None, "Set kokkos processor arch manually, if auto-detection doesn't work.", CUSTOM],
'user_packages': [None, "List user packages (without prefix PKG_ or USER-PKG_).", CUSTOM],
'sanity_check_test_inputs': [None, "List of tests for sanity-check.", CUSTOM],
'runtest': [None, "Enable running the lammps unittests", CUSTOM],
})
extra_vars['separate_build_dir'][0] = True
return extra_vars
Expand Down Expand Up @@ -370,6 +371,9 @@ def configure_step(self, **kwargs):
for package in self.cfg['user_packages']:
self.cfg.update('configopts', '-D%s%s=on' % (self.pkg_user_prefix, package))

if self.cfg['runtest']:
self.cfg.update('configopts', '-DENABLE_TESTING=on')

# Optimization settings
pkg_opt = '-D%sOPT=' % self.pkg_prefix
if pkg_opt not in self.cfg['configopts']:
Expand Down