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merged 3 commits into from
Aug 6, 2025
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docs: remove skpkg template files and mention of Brookhaven lab in index.rst #71

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5b2712e
docs: remove skpkg template files, remove mention of diffpy-cmi in in…
zmx27 Aug 5, 2025
3896eda
fix: modify project script in pyproject.toml
zmx27 Aug 5, 2025
5812033
docs: update readme, delete project.scripts
zmx27 Aug 6, 2025
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2 changes: 1 addition & 1 deletion docs/source/conf.py
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Original file line number Diff line number Diff line change
Expand Up @@ -343,7 +343,7 @@ def setup(app):
"pyobjcryst Documentation",
ab_authors,
"pyobjcryst",
"One line description of project.",
"Python bindings to the ObjCryst++ library.",
"Miscellaneous",
),
]
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3 changes: 1 addition & 2 deletions docs/source/index.rst
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Expand Up @@ -15,8 +15,7 @@ Authors

`pyobjcryst` was written as part of the DANSE_ open-source project by
Christopher Farrow, Pavol Juhás, and Simon J.L. Billinge.
The sources are maintained as a part of the DiffPy-CMI complex
modeling initiative at the Brookhaven National Laboratory.
The sources are maintained as a part of the `diffpy` project.
The underlying library `ObjCryst++ <https://github.com/vincefn/objcryst>`_
was developed by V. Favre-Nicolin as part of the development of the
`Fox <http://fox.vincefn.net>`_ software.
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28 changes: 0 additions & 28 deletions docs/source/snippets/example-table.rst
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -58,7 +58,7 @@ exclude = [] # exclude packages matching these glob patterns (empty by default)
namespaces = false # to disable scanning PEP 420 namespaces (true by default)

[project.scripts]
pyobjcryst = "pyobjcryst.app:main"
pyobjcryst = "pyobjcryst.pyobjcryst_app:main"
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@zmx27 zmx27 Aug 5, 2025

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The pyobjcryst.app module does not exist. See the following screenshot:
image

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@sbillinge sbillinge Aug 6, 2025

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If no app exists should we simply remove this code-block ([project.scripts])?

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@zmx27 zmx27 Aug 6, 2025

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It seems to me that the pyobjcryst_app.py file is what the project.scripts is meant to call. It utilizes argparsers to parse CLI commands from the user and everything. Here are the contents of the file, so please let me know if you still want the [project.scripts] code block deleted!

import argparse

from pyobjcryst.version import __version__  # noqa


def main():
    parser = argparse.ArgumentParser(
        prog="pyobjcryst",
        description=(
            "Python bindings to the ObjCryst++ library.\n\n"
            "For more information, visit: "
            "https://github.com/diffpy/pyobjcryst/"
        ),
        formatter_class=argparse.RawDescriptionHelpFormatter,
    )

    parser.add_argument(
        "--version",
        action="store_true",
        help="Show the program's version number and exit",
    )

    args = parser.parse_args()

    if args.version:
        print(f"pyobjcryst {__version__}")
    else:
        # Default behavior when no arguments are given
        parser.print_help()


if __name__ == "__main__":
    main()

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@sbillinge sbillinge Aug 6, 2025

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This is just the standard one that is produced by scikit-package. I think we can delete this


[tool.setuptools.dynamic]
dependencies = {file = ["requirements/pip.txt"]}
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