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nomad-lab
parser-atk
Commits
10f066f3
Commit
10f066f3
authored
Mar 20, 2020
by
Markus Scheidgen
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Plain Diff
Remove dependency on old metainfo.
parent
cb91cdd8
Changes
2
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2 changed files
with
4 additions
and
40 deletions
+4
-40
atkparser/parser_atk.py
atkparser/parser_atk.py
+4
-20
atkparser/setup_paths.py
atkparser/setup_paths.py
+0
-20
No files found.
atkparser/parser_atk.py
View file @
10f066f3
...
...
@@ -13,7 +13,6 @@
# limitations under the License.
from
__future__
import
division
import
os
from
contextlib
import
contextmanager
import
numpy
as
np
import
logging
...
...
@@ -22,8 +21,6 @@ from ase.data import chemical_symbols
from
atkparser.atkio
import
Reader
from
ase.data
import
atomic_masses
from
nomadcore.unit_conversion.unit_conversion
import
convert_unit
as
cu
from
nomadcore.local_meta_info
import
loadJsonFile
,
InfoKindEl
from
nomadcore.parser_backend
import
JsonParseEventsWriterBackend
from
atkparser.libxc_names
import
get_libxc_xc_names
...
...
@@ -40,15 +37,7 @@ def c(value, unit=None):
parser_info
=
{
"name"
:
"parser_atk"
,
"version"
:
"1.0"
}
path
=
'../../../../nomad-meta-info/meta_info/nomad_meta_info/'
+
\
'atk.nomadmetainfo.json'
import
nomad_meta_info
metaInfoPath
=
os
.
path
.
normpath
(
os
.
path
.
join
(
os
.
path
.
dirname
(
os
.
path
.
abspath
(
nomad_meta_info
.
__file__
)),
"atk.nomadmetainfo.json"
))
metaInfoEnv
,
warnings
=
loadJsonFile
(
filePath
=
metaInfoPath
,
dependencyLoader
=
None
,
extraArgsHandling
=
InfoKindEl
.
ADD_EXTRA_ARGS
,
uri
=
None
)
class
ATKParserWrapper
():
""" A proper class envolop for running this parser using nomad-FAIRDI infra. """
...
...
@@ -58,12 +47,13 @@ class ATKParserWrapper():
def
parse
(
self
,
mainfile
):
logging
.
info
(
'ATK parser started'
)
logging
.
getLogger
(
'nomadcore'
).
setLevel
(
logging
.
WARNING
)
backend
=
self
.
backend_factory
(
metaInfoEnv
)
backend
=
self
.
backend_factory
(
'atk.nomadmetainfo.json'
)
parse_without_class
(
mainfile
,
backend
)
return
backend
def
parse_without_class
(
filename
,
backend
):
p
=
backend
# JsonParseEventsWriterBackend(metaInfoEnv)
p
=
backend
o
=
open_section
r
=
Reader
(
filename
)
...
...
@@ -191,9 +181,3 @@ def parse_without_class(filename, backend):
p
.
addValue
(
'program_name'
,
'ATK'
)
p
.
addValue
(
'program_version'
,
r
.
atk_version
)
return
p
if
__name__
==
'__main__'
:
import
sys
filename
=
sys
.
argv
[
1
]
parse
(
filename
)
atkparser/setup_paths.py
deleted
100644 → 0
View file @
cb91cdd8
# Copyright 2016-2018 Mikkel Strange, Fawzi Mohamed
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
import
sys
,
os
,
os
.
path
baseDir
=
os
.
path
.
dirname
(
os
.
path
.
abspath
(
__file__
))
commonDir
=
os
.
path
.
normpath
(
os
.
path
.
join
(
baseDir
,
"../../../../python-common/common/python"
))
if
not
commonDir
in
sys
.
path
:
sys
.
path
.
insert
(
0
,
commonDir
)
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