Commit 5881bcd6 authored by Lauri Himanen's avatar Lauri Himanen

Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/parser-cp2k

parents e4cc2ecd d9ca950a
......@@ -60,6 +60,17 @@ class CP2KParser(ParserInterface):
# for the version is found, use the main parser for CP2K 2.6.2
self.setup_main_parser({"version_id": version_id, "run_type": run_type})
@staticmethod
def get_mainfile_regex():
regex_str = (
" \*\*\*\* \*\*\*\* \*\*\*\*\*\* \*\* PROGRAM STARTED AT\s.*\n"
" \*\*\*\*\* \*\* \*\*\* \*\*\* \*\* PROGRAM STARTED ON\s*.*\n"
" \*\* \*\*\*\* \*\*\*\*\*\* PROGRAM STARTED BY .*\n"
" \*\*\*\*\* \*\* \*\* \*\* \*\* PROGRAM PROCESS ID .*\n"
" \*\*\*\* \*\* \*\*\*\*\*\*\* \*\* PROGRAM STARTED IN .*\n"
)
return regex_str
def get_metainfo_filename(self):
return "cp2k.nomadmetainfo.json"
......
......@@ -21,6 +21,7 @@ def main():
package_dir={'': 'parser/parser-cp2k'},
packages=find_packages(),
install_requires=[
'future',
'pint',
'numpy',
'mdtraj',
......
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