diff --git a/422_PySCF/NECI-20230620-foss-2023a.eb b/422_PySCF/NECI-20230620-foss-2023a.eb index 31c5366..becc50b 100644 --- a/422_PySCF/NECI-20230620-foss-2023a.eb +++ b/422_PySCF/NECI-20230620-foss-2023a.eb @@ -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')] @@ -49,6 +46,3 @@ sanity_check_paths = { } moduleclass = 'chem' - -# TODO -# disabling parallel tests doesn't help