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nomad-lab
nomad-FAIR
Commits
d0e857a6
Commit
d0e857a6
authored
Feb 18, 2019
by
Daniel Speckhard
Browse files
Added Abinit parser
parent
d64a9cca
Changes
4
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.gitmodules
View file @
d0e857a6
...
...
@@ -54,3 +54,4 @@
[submodule "dependencies/parsers/abinit"]
path = dependencies/parsers/abinit
url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-abinit
nomad/parsing/__init__.py
View file @
d0e857a6
...
...
@@ -254,9 +254,15 @@ parsers = [
r
'^\s*Program (\S+)\s+v\.(\S+)(?:\s+\(svn\s+rev\.\s+'
r
'(\d+)\s*\))?\s+starts[^\n]+'
r
'(?:\s*\n?)*This program is part of the open-source Quantum'
)
),
LegacyParser
(
name
=
'parsers/abinit'
,
parser_class_name
=
'abinitparser.AbinitParser'
,
mainfile_contents_re
=
(
r
'^\n\.Version\s*[0-9.]*\s*of ABINIT\s*'
)
)
]
""" Instanciation and constructor based config of all parsers. """
parser_dict
=
{
parser
.
name
:
parser
for
parser
in
parsers
}
# type: ignore
...
...
tests/data/parsers/abinit/Fe.out
0 → 100644
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d0e857a6
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tests/test_parsing.py
View file @
d0e857a6
...
...
@@ -41,7 +41,7 @@ parser_examples = [
(
'parsers/wien2k'
,
'tests/data/parsers/wien2k/AlN/AlN_ZB.scf'
),
# ('parsers/band', 'tests/data/parsers/band_adf.out'), # causes spglib to segfault
(
'parsers/gaussian'
,
'tests/data/parsers/gaussian/aniline.out'
),
(
'parsers/
quantumespresso
'
,
'tests/data/parsers/
quantum-espresso/benchmark
.out'
),
(
'parsers/
abinit
'
,
'tests/data/parsers/
abinit/Fe
.out'
),
(
'parsers/quantumespresso'
,
'tests/data/parsers/quantum-espresso/W.out'
)
]
...
...
@@ -49,7 +49,7 @@ faulty_unknown_one_d_matid_example = [
(
'parsers/template'
,
'tests/data/normalizers/no_sim_cell_boolean_positions.json'
)
]
correct_num_output_files
=
19
correct_num_output_files
=
20
class
TestLocalBackend
(
object
):
...
...
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