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nomad-lab
parser-cp2k
Commits
d9ca950a
Commit
d9ca950a
authored
7 years ago
by
Lauri Himanen
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Added a function for getting the regex that is used to match the main file, added a dependency.
parent
9e2f9716
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2 changed files
parser/parser-cp2k/cp2kparser/parser.py
+11
-0
11 additions, 0 deletions
parser/parser-cp2k/cp2kparser/parser.py
setup.py
+1
-0
1 addition, 0 deletions
setup.py
with
12 additions
and
0 deletions
parser/parser-cp2k/cp2kparser/parser.py
+
11
−
0
View file @
d9ca950a
...
@@ -60,6 +60,17 @@ class CP2KParser(ParserInterface):
...
@@ -60,6 +60,17 @@ class CP2KParser(ParserInterface):
# for the version is found, use the main parser for CP2K 2.6.2
# 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
})
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
):
def
get_metainfo_filename
(
self
):
return
"
cp2k.nomadmetainfo.json
"
return
"
cp2k.nomadmetainfo.json
"
...
...
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setup.py
+
1
−
0
View file @
d9ca950a
...
@@ -21,6 +21,7 @@ def main():
...
@@ -21,6 +21,7 @@ def main():
package_dir
=
{
''
:
'
parser/parser-cp2k
'
},
package_dir
=
{
''
:
'
parser/parser-cp2k
'
},
packages
=
find_packages
(),
packages
=
find_packages
(),
install_requires
=
[
install_requires
=
[
'
future
'
,
'
pint
'
,
'
pint
'
,
'
numpy
'
,
'
numpy
'
,
'
mdtraj
'
,
'
mdtraj
'
,
...
...
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