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[pre-commit.ci] pre-commit autoupdate #109

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b330fd9
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] Jul 13, 2026
03e8717
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Jul 13, 2026
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8 changes: 4 additions & 4 deletions .pre-commit-config.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -4,16 +4,16 @@

repos:
- repo: https://github.com/astral-sh/ruff-pre-commit
rev: 'v0.9.2'
rev: 'v0.15.21'
hooks:
- id: ruff
args: [ --fix, --exit-non-zero-on-fix ]
- repo: https://github.com/psf/black
rev: 24.10.0
- repo: https://github.com/psf/black-pre-commit-mirror
rev: 26.5.1
hooks:
- id: black
- repo: https://github.com/pre-commit/mirrors-mypy
rev: v1.14.1
rev: v2.3.0
hooks:
- id: mypy
additional_dependencies: ["pydantic>=2"]
6 changes: 2 additions & 4 deletions cp2k_input_tools/cli/lsp.py
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Original file line number Diff line number Diff line change
Expand Up @@ -8,12 +8,10 @@

from cp2k_input_tools.ls import cp2k_server
except ImportError:
print(
"""Could not import the pygls package. You have to install the cp2k-input-tools with the 'lsp' extra:
print("""Could not import the pygls package. You have to install the cp2k-input-tools with the 'lsp' extra:

pip install cp2k-input-tools[lsp]
"""
)
""")
sys.exit(1)


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48 changes: 16 additions & 32 deletions tests/test_parser_errors.py
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Original file line number Diff line number Diff line change
Expand Up @@ -53,14 +53,12 @@ def test_undefined_preprocessor_var():
def test_multiple_defined_non_repeating_section():
cp2k_parser = CP2KInputParser(DEFAULT_CP2K_INPUT_XML)

fhandle = io.StringIO(
"""
fhandle = io.StringIO("""
&GLOBAL
&END GLOBAL
&GLOBAL
&END GLOBAL
"""
)
""")

with pytest.raises(InvalidNameError) as excinfo:
cp2k_parser.parse(fhandle)
Expand All @@ -71,27 +69,23 @@ def test_multiple_defined_non_repeating_section():
def test_missing_section_end():
cp2k_parser = CP2KInputParser(DEFAULT_CP2K_INPUT_XML)

fhandle = io.StringIO(
"""
fhandle = io.StringIO("""
&GLOBAL
! &END GLOBAL
&FORCE_EVAL
&END FORCE_EVAL
"""
)
""")

with pytest.raises(InvalidSectionError) as excinfo:
cp2k_parser.parse(fhandle)

assert "invalid section" in excinfo.value.args[0]

fhandle = io.StringIO(
"""
fhandle = io.StringIO("""
&GLOBAL
&END GLOBAL
&FORCE_EVAL
"""
)
""")

with pytest.raises(SectionMismatchError) as excinfo:
cp2k_parser.parse(fhandle)
Expand All @@ -102,14 +96,12 @@ def test_missing_section_end():
def test_section_end_mismatch():
cp2k_parser = CP2KInputParser(DEFAULT_CP2K_INPUT_XML)

fhandle = io.StringIO(
"""
fhandle = io.StringIO("""
&GLOBAL
&END GLOBI
&FORCE_EVAL
&END FORCE_EVAL
"""
)
""")

with pytest.raises(SectionMismatchError) as excinfo:
cp2k_parser.parse(fhandle)
Expand All @@ -120,12 +112,10 @@ def test_section_end_mismatch():
def test_section_parameter_error():
cp2k_parser = CP2KInputParser(DEFAULT_CP2K_INPUT_XML)

fhandle = io.StringIO(
"""
fhandle = io.StringIO("""
&GLOBAL invalidparam
&END GLOBAL
"""
)
""")

with pytest.raises(InvalidParameterError) as excinfo:
cp2k_parser.parse(fhandle)
Expand All @@ -136,15 +126,13 @@ def test_section_parameter_error():
def test_invalid_keyword():
cp2k_parser = CP2KInputParser(DEFAULT_CP2K_INPUT_XML)

fhandle = io.StringIO(
"""
fhandle = io.StringIO("""
&FORCE_EVAL
&SUBSYS
BASIS_SET TZVPd-MOLOPT-SR-GTH
&END SUBSYS
&END FORCE_EVAL
"""
)
""")

with pytest.raises(InvalidNameError) as excinfo:
cp2k_parser.parse(fhandle)
Expand All @@ -160,8 +148,7 @@ def test_internal_cp2k_unit():

cp2k_parser = CP2KInputParser(DEFAULT_CP2K_INPUT_XML)

fhandle_no_extra_unit = io.StringIO(
"""
fhandle_no_extra_unit = io.StringIO("""
&FORCE_EVAL
METHOD FIST
&MM
Expand All @@ -182,13 +169,11 @@ def test_internal_cp2k_unit():
&END FORCEFIELD
&END MM
&END FORCE_EVAL
"""
)
""")

cp2k_parser.parse(fhandle_no_extra_unit)

fhandle_extra_unit = io.StringIO(
"""
fhandle_extra_unit = io.StringIO("""
&FORCE_EVAL
METHOD FIST
&MM
Expand All @@ -209,8 +194,7 @@ def test_internal_cp2k_unit():
&END FORCEFIELD
&END MM
&END FORCE_EVAL
"""
)
""")

with pytest.raises(InvalidParameterError) as excinfo:
cp2k_parser.parse(fhandle_extra_unit)
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