Commit 91fe042a authored by Daniel Speckhard's avatar Daniel Speckhard
Browse files

Added GPAW.

parent 93ff281b
Pipeline #45139 failed with stages
in 1 minute and 30 seconds
......@@ -76,3 +76,6 @@
[submodule "dependencies/parsers/phonopy-library"]
path = dependencies/parsers/phonopy-library
url = https://gitlab.mpcdf.mpg.de/nomad-lab/phonopy
[submodule "dependencies/parsers/gpaw"]
path = dependencies/parsers/gpaw
url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-gpaw
Subproject commit cbd073af089103951ee5b267ab064b00442b3cfc
......@@ -298,6 +298,12 @@ parsers = [
mainfile_contents_re=(r'\|0\) ~ \(0\) \|')
# We decided to use the octopus eyes instead of
# r'\*{32} Grid \*{32}Simulation Box:' since it was so far down in the file.
),
LegacyParser(
name='parsers/gpaw',
parser_class_name='gpawparser.GpawParserWrapper',
mainfile_contents_re=r'', # We can't read .gpw as txt - of UlmGPAW|AFFormatGPAW'
mainfile_name_re=(r'.gpw$')
)
]
......
......@@ -49,7 +49,8 @@ parser_examples = [
('parsers/lib-atoms', 'tests/data/parsers/lib-atoms/gp.xml'),
('parsers/octopus', 'tests/data/parsers/octopus/stdout.txt'),
('parsers/phonopy',
'tests/data/parsers/phonopy/control.in')]
'tests/data/parsers/phonopy/control.in'),
('parsers/gpaw', 'tests/data/parsers/gpaw/Fe2.gpw')]
faulty_unknown_one_d_matid_example = [
('parsers/template', 'tests/data/normalizers/no_sim_cell_boolean_positions.json')
......
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