Commit cfff84c5 authored by Daniel Speckhard's avatar Daniel Speckhard
Browse files

renamed quantum espresso file.

parent 4f6a6bc7
......@@ -45,3 +45,6 @@
[submodule "dependencies/parsers/gaussian"]
path = dependencies/parsers/gaussian
url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-gaussian
[submodule "dependencies/parsers/quantum-espresso"]
path = dependencies/parsers/quantum-espresso
url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-quantum-espresso
Subproject commit f68330c5fd3686f49f4a6d708fbf4d921eaa73c7
Subproject commit 02c301eb0621d8676e46d4d86ac1ed85a9531eb3
Subproject commit 07116308f277bcb18f215b44af1e7418dccfe338
Subproject commit 03899751624694c7099d5bc3e5b48971d924bc32
Subproject commit 7547643f594f612752e0d96d77fd3705c2a809b2
......@@ -69,8 +69,6 @@ class RepositoryNormalizer(Normalizer):
except BadContextURI:
b.openNonOverlappingSection('section_repository_info')
repository_info_context = None
with open("test_file_inside_repopy_normalizer.json", "wt") as file:
b.write_json(file)
b.openNonOverlappingSection('section_repository_parserdata')
b.addValue('repository_checksum', b.get_value('calc_hash', 0))
......
......@@ -200,6 +200,17 @@ parsers = [
r'\s\*\*\*\*\*\*\*\*\*\*\*\**'
r'\s*Gaussian\s*(?P<program_version>[0-9]+):\s*(?P<x_gaussian_program_implementation>[A-Za-z0-9-.]+)\s*(?P<x_gaussian_program_release_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)'
r'\s*(?P<x_gaussian_program_execution_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)')
),
LegacyParser(
name='parsers/quantumespresso',
parser_class_name='gaussianparser.GaussianParser',
main_file_re=r'^.*\.out$',
main_contents_re=(
r'\s*Cite this work as:'
r'\s*Gaussian [0-9]+, Revision [A-Za-z0-9.]*,'
r'\s\*\*\*\*\*\*\*\*\*\*\*\**'
r'\s*Gaussian\s*(?P<program_version>[0-9]+):\s*(?P<x_gaussian_program_implementation>[A-Za-z0-9-.]+)\s*(?P<x_gaussian_program_release_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)'
r'\s*(?P<x_gaussian_program_execution_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)')
)
]
......
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