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nomad-lab
nomad-FAIR
Commits
806d1e80
Commit
806d1e80
authored
Jan 08, 2021
by
Markus Scheidgen
Browse files
Merge branch 'parser-metadata' into 'v0.9.9'
Updated parser metadata for ATK. See merge request
!235
parents
ba2e3800
89918159
Pipeline
#90712
canceled with stages
in 58 seconds
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Subproject commit
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Subproject commit
199a7322b7a00c3b658b0b328219b58ecc227c84
nomad/cli/dev.py
View file @
806d1e80
...
...
@@ -194,15 +194,13 @@ def toolkit_metadata():
@
dev
.
command
(
help
=
(
'Updates parser`s README files by combining a general template with '
'a parser`s metadata YAML file.'
))
def
update_parsers_readmes
():
@
click
.
option
(
'--parser'
,
help
=
'Only updated the README of the given parsers subdirctory.'
)
def
update_parser_readmes
(
parser
):
from
glob
import
glob
import
re
import
yaml
print
(
'
\n
PWD: '
,
os
.
getcwd
())
print
(
'WARNING: to be run from project`s root dir
\n
'
)
# based on
# https://www.kite.com/python/answers/how-to-update-and-replace-text-in-a-file-in-python
os
.
chdir
(
os
.
path
.
join
(
os
.
path
.
dirname
(
__file__
),
'../..'
))
# filenames
local_fn
=
'README.md'
...
...
@@ -210,7 +208,11 @@ def update_parsers_readmes():
parser_path
=
'./dependencies/parsers/'
for
num
,
ddir
in
enumerate
(
sorted
(
glob
(
parser_path
+
'*/'
)),
start
=
1
):
parser_dirname
=
ddir
.
split
(
'/'
)[
-
2
]
if
parser
is
not
None
and
parser
!=
ddir
.
split
(
os
.
sep
)[
-
2
]:
print
(
f
'Skip
{
ddir
}
'
)
continue
_
,
parser_dirname
=
os
.
path
.
split
(
ddir
)
print
(
'{} Working on {}'
.
format
(
num
,
parser_dirname
))
# Open general template
...
...
nomad/parsing/parsers.py
View file @
806d1e80
...
...
@@ -296,7 +296,7 @@ parsers = [
mainfile_mime_re
=
r
'application/(x-tar|octet-stream)'
),
LegacyParser
(
name
=
'parsers/atk'
,
code_name
=
'A
TK
'
,
code_homepage
=
'https://www.synopsys.com/silicon/quantumatk.html'
,
name
=
'parsers/atk'
,
code_name
=
'A
tomistixToolKit
'
,
code_homepage
=
'https://www.synopsys.com/silicon/quantumatk.html'
,
parser_class_name
=
'atkparser.ATKParserWrapper'
,
# mainfile_contents_re=r'', # We can't read .gpw as txt - of UlmGPAW|AFFormatGPAW'
mainfile_name_re
=
r
'^.*\.nc'
,
...
...
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