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nomad-lab
parser-cp2k
Commits
5881bcd6
Commit
5881bcd6
authored
Jul 11, 2017
by
Lauri Himanen
Browse files
Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/parser-cp2k
parents
e4cc2ecd
d9ca950a
Changes
2
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Inline
Side-by-side
parser/parser-cp2k/cp2kparser/parser.py
View file @
5881bcd6
...
...
@@ -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"
...
...
setup.py
View file @
5881bcd6
...
...
@@ -21,6 +21,7 @@ def main():
package_dir
=
{
''
:
'parser/parser-cp2k'
},
packages
=
find_packages
(),
install_requires
=
[
'future'
,
'pint'
,
'numpy'
,
'mdtraj'
,
...
...
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