Merge pull request #41 from zmx27/update-workflows

skpkg: update README.rst installation instructions and other minor fixes

Author: sbillinge

.github/workflows/build-wheel-release-upload.yml

@@ -13,8 +13,6 @@ jobs:
       project: diffpy.srxplanar
       c_extension: false
       maintainer_GITHUB_username: sbillinge
-      run: |
-        pip install diffpy.srxconfutils
 
     secrets:
       PYPI_TOKEN: ${{ secrets.PYPI_TOKEN }}

.github/workflows/publish-docs-on-release.yml

@@ -63,12 +63,33 @@ by citing the following paper in your publication:
 Installation
 ------------
 
-The preferred method is to be installed with `xpdfsuite` package or the wheel file.
+The preferred method is to use `Miniconda Python
+<https://docs.conda.io/projects/miniconda/en/latest/miniconda-install.html>`_
+and install from the "conda-forge" channel of Conda packages.
 
-To install the package with the wheel file, you can first download the wheel file, then type
+To add "conda-forge" to the conda channels, run the following in a terminal. ::
 
-`pip install /path/to/diffpy.srxplanar-X.Y.Z-py3-none-any.whl`.
+        conda config --add channels conda-forge
 
+We want to install our packages in a suitable conda environment.
+The following creates and activates a new environment named ``diffpy.srxplanar_env`` ::
+
+        conda create -n diffpy.srxplanar_env diffpy.srxplanar
+        conda activate diffpy.srxplanar_env
+
+The output should print the latest version displayed on the badges above.
+
+If the above does not work, you can use ``pip`` to download and install the latest release from
+`Python Package Index <https://pypi.python.org>`_.
+To install using ``pip`` into your ``diffpy.srxplanar_env`` environment, type ::
+
+        pip install diffpy.srxplanar
+
+If you prefer to install from sources, after installing the dependencies, obtain the source archive from
+`GitHub <https://github.com/diffpy/diffpy.srxplanar/>`_. Once installed, ``cd`` into your ``diffpy.srxplanar`` directory
+and run the following ::
+
+        pip install .
 
 This package also provides command-line utilities. To check the software has been installed correctly, type ::
 

README.rst

@@ -2,17 +2,17 @@
   "maintainer_name": "Simon Billinge",
   "maintainer_email": "sb2896@columbia.edu",
   "maintainer_github_username": "sbillinge",
-  "contributors": "Simon Billinge, Billinge Group members",
+  "contributors": "Xiaohao Yang and Billinge Group members",
   "license_holders": "The Trustees of Columbia University in the City of New York",
   "project_name": "diffpy.srxplanar",
   "github_username_or_orgname": "diffpy",
   "github_repo_name": "diffpy.srxplanar",
   "conda_pypi_package_dist_name": "diffpy.srxplanar",
   "package_dir_name": "diffpy.srxplanar",
-  "project_short_description": "Distance Printer, calculate the inter atomic distances. Part of xPDFsuite",
+  "project_short_description": "2D diffraction image integration using non splitting pixel algorithm",
   "project_keywords": "diffpy, pdf, data interpretation",
-  "minimum_supported_python_version": "3.12",
-  "maximum_supported_python_version": "3.14",
+  "minimum_supported_python_version": "3.11",
+  "maximum_supported_python_version": "3.13",
   "project_needs_c_code_compiled": "No",
   "project_has_gui_tests": "No"
 }

cookiecutter.json

@@ -0,0 +1,23 @@
+**Added:**
+
+* No news added: Update installation instructions in README.rst and other minor fixes.
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

news/update-workflows.rst

@@ -49,7 +49,7 @@ exclude = []  # exclude packages matching these glob patterns (empty by default)
 namespaces = false  # to disable scanning PEP 420 namespaces (true by default)
 
 [project.scripts]
-diffpy-srxplanar = "diffpy.srxplanar_app:main"
+diffpy-srxplanar = "diffpy.srxplanar.srxplanar_app:main"
 
 [tool.setuptools.dynamic]
 dependencies = {file = ["requirements/pip.txt"]}

pyproject.toml

@@ -3,3 +3,4 @@ scipy
 fabio
 tifffile
 configparser
+diffpy.srxconfutils

requirements/conda.txt

@@ -0,0 +1,33 @@
+import argparse
+
+from diffpy.srxplanar.version import __version__  # noqa
+
+
+def main():
+    parser = argparse.ArgumentParser(
+        prog="diffpy.srxplanar",
+        description=(
+            "2D diffraction image integration using non "
+            "splitting pixel algorithm\n\nFor more information, visit: "
+            "https://github.com/diffpy/diffpy.srxplanar/"
+        ),
+        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"diffpy.srxplanar {__version__}")
+    else:
+        # Default behavior when no arguments are given
+        parser.print_help()
+
+
+if __name__ == "__main__":
+    main()