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progress on #422 PySCF
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PetrKralCZ committed Oct 22, 2024
1 parent 55310d8 commit c0a5d4f
Showing 1 changed file with 1 addition and 7 deletions.
8 changes: 1 addition & 7 deletions 422_PySCF/NECI-20230620-foss-2023a.eb
Original file line number Diff line number Diff line change
Expand Up @@ -31,14 +31,11 @@ dependencies = [
('HDF5', '1.14.0'),
]

# disable tests ending up with SEGFAULT
# preconfigopts = "sed -i '/back_spawn_excit_gen/d' '%(builddir)s/NECI_STABLE/unit_tests/CMakeLists.txt' && "

# enable support for HDF5
configopts = "-DENABLE_HDF5=ON"

test_cmd = 'ctest'
runtest = '-j 1'
runtest = '-j'

files_to_copy = ['bin', 'lib', (['modules'], 'include')]

Expand All @@ -49,6 +46,3 @@ sanity_check_paths = {
}

moduleclass = 'chem'

# TODO
# disabling parallel tests doesn't help

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