diff --git a/.flake8 b/.flake8 index 2d2cb16..04d2d0b 100644 --- a/.flake8 +++ b/.flake8 @@ -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, diff --git a/.gitignore b/.gitignore index a25212e..099e294 100644 --- a/.gitignore +++ b/.gitignore @@ -10,6 +10,7 @@ __pycache__/ .Python env/ build/ +_build/ develop-eggs/ dist/ downloads/ @@ -90,10 +91,3 @@ target/ # Ipython Notebook .ipynb_checkpoints - -# version information -setup.cfg -/src/diffpy/*/version.cfg - -# Rever -rever/ diff --git a/.isort.cfg b/.isort.cfg index e0926f4..7ce0fb1 100644 --- a/.isort.cfg +++ b/.isort.cfg @@ -1,4 +1,5 @@ [settings] +# Keep import statement below line_length character limit line_length = 115 multi_line_output = 3 include_trailing_comma = True diff --git a/LICENSE_PDFgui.rst b/LICENSE-PDFgui.rst similarity index 100% rename from LICENSE_PDFgui.rst rename to LICENSE-PDFgui.rst diff --git a/pyproject.toml b/pyproject.toml index ce2f2b1..0a98f3b 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -6,14 +6,14 @@ build-backend = "setuptools.build_meta" name = "diffpy.srmise" dynamic=['version', 'dependencies'] authors = [ - { name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" }, + { name="Simon J.L. Billinge group", email="sb2896@columbia.edu" }, {name="Luke Granlund", email="granlund@pa.msu.edu"}, ] maintainers = [ - { name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" }, + { name="Simon Billinge", email="sb2896@columbia.edu" }, ] description = "Peak extraction and peak fitting tool for atomic pair distribution functions." -keywords = ['peak extraction fitting PDF AIC multimodeling'] +keywords = ['peak extraction', 'fitting', 'PDF', 'AIC', 'multimodeling'] readme = "README.rst" requires-python = ">=3.11, <3.14" classifiers = [ @@ -33,6 +33,7 @@ classifiers = [ 'Topic :: Scientific/Engineering :: Physics', 'Topic :: Scientific/Engineering :: Chemistry', 'Topic :: Software Development :: Libraries', + ] [project.urls] @@ -62,6 +63,11 @@ 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?$'