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Merged
sbillinge merged 14 commits into from
Jun 19, 2025
Merged

Migration #140

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5788f4f
skpkg: linter config files; pyproject.toml
TingwenZhang Jun 19, 2025
8f15f93
skpkg: init and version files
TingwenZhang Jun 19, 2025
19d7d4c
skpkg: structure/__init__.py
TingwenZhang Jun 19, 2025
fb7d421
skpkg: tests/test_version.py
TingwenZhang Jun 19, 2025
1acf3f4
skpkg: docformatter
TingwenZhang Jun 19, 2025
abc25b1
Merge pull request #138 from TingwenZhang/level-5
sbillinge Jun 19, 2025
4b7b89c
skpkg: new files
TingwenZhang Jun 19, 2025
9d7972e
skpkg: docs
TingwenZhang Jun 19, 2025
04f6aa5
skpkg: codespell src/
TingwenZhang Jun 19, 2025
c787b24
skpkg: .github/
TingwenZhang Jun 19, 2025
4db5ce9
skpkg: readme
TingwenZhang Jun 19, 2025
b19f51a
skpkg: devutils docformatter
TingwenZhang Jun 19, 2025
c3a578a
skpkg: fixed CODE-OF-CONDUCT.rst
TingwenZhang Jun 19, 2025
e6ae91d
Merge pull request #139 from TingwenZhang/level-5-2
sbillinge Jun 19, 2025
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skpkg: linter config files; pyproject.toml
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@TingwenZhang
TingwenZhang committed Jun 19, 2025
commit 5788f4f55392db1756d3ada7849c321761562625
2 changes: 2 additions & 0 deletions .flake8
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@@ -1,3 +1,5 @@
# As of now, flake8 does not natively support configuration via pyproject.toml
# https://github.com/microsoft/vscode-flake8/issues/135
[flake8]
exclude =
.git,
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1 change: 1 addition & 0 deletions .isort.cfg
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@@ -1,4 +1,5 @@
[settings]
# Keep import statement below line_length character limit
line_length = 115
multi_line_output = 3
include_trailing_comma = True
22 changes: 16 additions & 6 deletions pyproject.toml
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Expand Up @@ -6,13 +6,13 @@ build-backend = "setuptools.build_meta"
name = "diffpy.structure"
dynamic=['version', 'dependencies']
authors = [
{ name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" },
{ name="Simon Billinge", email="sb2896@columbia.edu" },
]
maintainers = [
{ name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" },
{ name="Simon Billinge", email="sb2896@columbia.edu" },
]
description = "Crystal structure container and parsers for structure formats."
keywords = ['diffpy', 'crystal structure data storage CIF PDB']
keywords = ['diffpy', 'crystal structure data storage', 'CIF', 'PDB']
readme = "README.rst"
requires-python = ">=3.11, <3.14"
classifiers = [
Expand All @@ -32,13 +32,13 @@ classifiers = [
'Topic :: Scientific/Engineering :: Chemistry',
]

[project.scripts]
transtru = "diffpy.structure.apps.transtru:main"

[project.urls]
Homepage = "https://github.com/diffpy/diffpy.structure/"
Issues = "https://github.com/diffpy/diffpy.structure/issues/"

[project.scripts]
transtru = "diffpy.structure.apps.transtru:main"

[tool.setuptools-git-versioning]
enabled = true
template = "{tag}"
Expand All @@ -54,6 +54,16 @@ namespaces = false # to disable scanning PEP 420 namespaces (true by default)
[tool.setuptools.dynamic]
dependencies = {file = ["requirements/pip.txt"]}

[tool.codespell]
exclude-file = ".codespell/ignore_lines.txt"
ignore-words = ".codespell/ignore_words.txt"
skip = "*.cif,*.dat"

[tool.docformatter]
recursive = true
wrap-summaries = 72
wrap-descriptions = 72

[tool.black]
line-length = 115
include = '\.pyi?$'
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