Planned maintenance on Wednesday, 2021-01-20, 17:00-18:00. Expect some interruptions during that time

Commit 5c3bcea7 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen

misc minor metadata. Disable 'sequenced'

parent b3b7afe0
......@@ -318,22 +318,30 @@ infoFileDescription = SM(
# In SIESTA, the calculations are always periodic
fixedStartValues={'program_name': 'siesta',
'configuration_periodic_dimensions': np.ones(3, bool)},
sections=['section_run', 'x_siesta_section_input'],
subFlags=SM.SubFlags.Sequenced, # sequenced or not?
sections=['section_run'],
#subFlags=SM.SubFlags.Sequenced, # sequenced or not?
subMatchers=[
SM(r'Siesta Version: siesta-(?P<program_version>\S+)',
name='name&version', required=True),
name='version'),
SM(r'SIESTA\s*(?P<program_version>.+)',
name='alt-version'),
SM(r'Architecture\s*:\s*(?P<x_siesta_arch>.+)', name='arch'),
SM(r'Compiler flags\s*:\s*(?P<x_siesta_compilerflags>.+)',
name='flags'),
SM(r'xc.authors\s*(?P<x_siesta_xc_authors>\S+)',
name='xc authors',
fixedStartValues={'x_siesta_xc_authors': 'CA'},
sections=['section_method', 'x_siesta_section_xc_authors']),
SM(r'reinit: System Label:\s*(?P<x_siesta_system_label>\S+)', name='syslabel', forwardMatch=True,
SM(r'reinit: System Label:\s*(?P<x_siesta_system_label>\S+)',
name='syslabel', forwardMatch=True,
sections=['x_siesta_section_input'],
adHoc=context.adhoc_set_label),
SM(r'\s*Single-point calculation|\s*Begin \S+ opt\.',
name='singleconfig',
repeats=True,
# XXX some of the matchers should not be in single config calculation
sections=['section_single_configuration_calculation', 'section_system'],
sections=['section_single_configuration_calculation',
'section_system'],
subFlags=SM.SubFlags.Sequenced,
subMatchers=[
SM(r'', weak=True, forwardMatch=True, name='system section',
......
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