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nomad-lab
nomad-FAIR
Commits
93ff281b
Commit
93ff281b
authored
Mar 12, 2019
by
Daniel Speckhard
Browse files
Fixed failing tests.
parent
0ea345af
Pipeline
#45125
passed with stages
in 25 minutes and 53 seconds
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Subproject commit
6236d903ddb269b3b63de6e169cdc701efc804a5
Subproject commit
a2f03d731496565e065c6f56769bc9135c0fe17f
nomad/parsing/__init__.py
View file @
93ff281b
...
...
@@ -114,6 +114,12 @@ parsers = [
GenerateRandomParser
(),
TemplateParser
(),
ChaosParser
(),
LegacyParser
(
name
=
'parsers/phonopy'
,
parser_class_name
=
'phonopyparser.PhonopyParserWrapper'
,
mainfile_contents_re
=
r
''
,
# Empty regex since this code calls other DFT codes.
mainfile_name_re
=
(
r
'.*/phonopy-FHI-aims-displacement-0*1/control.in$'
)
),
LegacyParser
(
name
=
'parsers/vasp'
,
parser_class_name
=
'vaspparser.VASPRunParserInterface'
,
...
...
@@ -292,14 +298,7 @@ parsers = [
mainfile_contents_re
=
(
r
'\|0\) ~ \(0\) \|'
)
# We decided to use the octopus eyes instead of
# r'\*{32} Grid \*{32}Simulation Box:' since it was so far down in the file.
),
LegacyParser
(
name
=
'parsers/phonopy'
,
parser_class_name
=
'phonopyparser.PhonopyParserWrapper'
,
mainfile_contents_re
=
r
''
,
# Empty regex since this code calls other DFT codes.
mainfile_name_re
=
(
r
'.*/phonopy-FHI-aims-displacement-0*1/control\\.in$'
)
)
]
""" Instanciation and constructor based config of all parsers. """
...
...
tests/data/parsers/phonopy/phonopy-FHI-aims-displacement-01/tmp.out
deleted
100644 → 0
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tests/test_parsing.py
View file @
93ff281b
...
...
@@ -55,7 +55,8 @@ faulty_unknown_one_d_matid_example = [
(
'parsers/template'
,
'tests/data/normalizers/no_sim_cell_boolean_positions.json'
)
]
correct_num_output_files
=
25
# TODO @dts: Phonopy getting double counted. tmp.out in phonopy also.
correct_num_output_files
=
27
class
TestLocalBackend
(
object
):
...
...
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