Commit cd98f585 authored by speckhard's avatar speckhard
Browse files

Integration of CP2K parser in nomad-fair. More information here...

Integration of CP2K parser in nomad-fair. More information here https://docs.google.com/document/d/1fTjSJIuRtbVWqS4CoXVlrf94MzYDWNqU-jtxkYOVAoQ/edit?usp=sharing.
parent b099d11e
Pipeline #41047 failed with stages
in 12 minutes and 30 seconds
......@@ -186,7 +186,11 @@ dependencies = [
PythonGit(
name='normalizers/system-type',
git_url='https://gitlab.mpcdf.mpg.de/nomad-lab/normalizer-system-type',
git_commit='nomad-fair')
git_commit='nomad-fair'),
PythonGit(
name='parsers/cp2k',
git_url='https://gitlab.mpcdf.mpg.de/nomad-lab/parser-cp2k',
git_commit='master')
]
dependencies_dict = {dependency.name: dependency for dependency in dependencies}
......
......@@ -92,7 +92,18 @@ parsers = [
r'^(.*\n)*'
r'?\s*Invoking FHI-aims \.\.\.'
r'?\s*Version')
)
),
LegacyParser(
python_git=dependencies['parsers/cp2k'],
parser_class_name='cp2kparser.CP2KParser',
main_file_re=r'^.*\.out$', # This looks for files with .out
main_contents_re=(
' \*\*\*\* \*\*\*\* \*\*\*\*\*\* \*\* PROGRAM STARTED AT\s.*\n'
' \*\*\*\*\* \*\* \*\*\* \*\*\* \*\* PROGRAM STARTED ON\s*.*\n'
' \*\* \*\*\*\* \*\*\*\*\*\* PROGRAM STARTED BY .*\n'
' \*\*\*\*\* \*\* \*\* \*\* \*\* PROGRAM PROCESS ID .*\n'
' \*\*\*\* \*\* \*\*\*\*\*\*\* \*\* PROGRAM STARTED IN .*\n')
),
]
""" Instanciation and constructor based config of all parsers. """
......
......@@ -30,7 +30,8 @@ parser_examples = [
('parsers/exciting', 'tests/data/parsers/exciting/Ag/INFO.OUT'),
('parsers/exciting', 'tests/data/parsers/exciting/GW/INFO.OUT'),
('parsers/vasp', 'tests/data/parsers/vasp.xml'),
('parsers/fhi-aims', 'tests/data/parsers/aims.out')
('parsers/fhi-aims', 'tests/data/parsers/aims.out'),
('parsers/cp2k', 'tests/data/parsers/cp2k/si_bulk8.out')
]
......
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