Recut - update README for installation, issue templates, getting star…

…ted (#227)

* Add workflow files and issues

* Add py312 to pyproject

* Update getting started, installation in readme

* Add cookiecutter src init

* Use existing version.py file

* Fix preposition in readme

* Add news

* Reference online doc for manual instead

* Use pdfgui instead of srmise in readme

.github/ISSUE_TEMPLATE/bug_feature.md

@@ -0,0 +1,16 @@
+---
+name: Bug Report or Feature Request
+about: Report a bug or suggest a new feature!
+title: ""
+labels: ""
+assignees: ""
+---
+
+### Problem
+
+<!--
+For a bug report, please copy and paste any error messages from the application or command-line here.
+For a feature request, please state how the new functionality could benefit the community.
+-->
+
+### Proposed solution

.github/ISSUE_TEMPLATE/release_checklist.md

@@ -0,0 +1,22 @@
+---
+name: Release
+about: Checklist and communication channel for PyPI and GitHub release
+title: "Ready for <version-number> PyPI/GitHub release"
+labels: "release"
+assignees: ""
+---
+
+### Release checklist for GitHub contributors
+
+- [ ] All PRs/issues attached to the release are merged.
+- [ ] All the badges on the README are passing.
+- [ ] License information is verified as correct. If you are unsure, please comment below.
+- [ ] Locally rendered documentation contains all appropriate pages, including API references (check no modules are
+  missing), tutorials, and other human written text is up-to-date with any changes in the code.
+- [ ] Installation instructions in the README, documentation and on the website (e.g., diffpy.org) are updated and
+  tested
+- [ ] Successfully run any tutorial examples or do functional testing in some other way.
+- [ ] Grammar and writing quality have been checked (no typos).
+
+Please mention @sbillinge when you are ready for release. Include any additional comments necessary, such as
+version information and details about the pre-release.

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

@@ -0,0 +1,16 @@
+name: Release (GitHub/PyPI)
+
+on:
+  workflow_dispatch:
+  push:
+    tags:
+      - '*'  # Trigger on all tags initially, but tag and release privilege are verified in _build-wheel-release-upload.yml
+
+jobs:
+  release:
+    uses: Billingegroup/release-scripts/.github/workflows/_build-wheel-release-upload.yml@v0
+    with:
+      project: diffpy.pdfgui
+    secrets:
+      PYPI_TOKEN: ${{ secrets.PYPI_TOKEN }}
+      PAT_TOKEN: ${{ secrets.PAT_TOKEN }}

README.rst

@@ -78,14 +78,16 @@ To add "conda-forge" to the conda channels, run the following in a terminal. ::
 We want to install our packages in a suitable conda environment.
 The following creates and activates a new environment named ``diffpy.pdfgui_env`` ::
 
-        conda create -n diffpy.pdfgui_env python=3
+        conda create -n diffpy.pdfgui_env diffpy.pdfgui
         conda activate diffpy.pdfgui_env
 
-Then, to fully install ``diffpy.pdfgui`` in our active environment, run ::
+To confirm that the installation was successful, type ::
 
-        conda install diffpy.pdfgui
+        python -c "import diffpy.pdfgui; print(diffpy.pdfgui.__version__)"
 
-Another option is to use ``pip`` to download and install the latest release from
+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.pdfgui_env`` environment, type ::
 
@@ -97,6 +99,11 @@ and run the following ::
 
         pip install .
 
+Getting Started
+---------------
+
+You may consult our `online documentation <https://diffpy.github.io/diffpy.pdfgui>`_ for tutorials and API references.
+
 Support and Contribute
 ----------------------
 

news/recut.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* Re-cookiecut to include GH issues templates, getting started, and install updates
+
+**Security:**
+
+* <news item>

pyproject.toml

@@ -27,6 +27,7 @@ classifiers = [
         'Operating System :: Unix',
         'Programming Language :: Python :: 3.10',
         'Programming Language :: Python :: 3.11',
+        'Programming Language :: Python :: 3.12',
         'Topic :: Scientific/Engineering :: Physics',
         'Topic :: Scientific/Engineering :: Chemistry',
 ]

src/diffpy/__init__.py

@@ -1,27 +1,23 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# diffpy            by DANSE Diffraction group
-#                   Simon J. L. Billinge
-#                   (c) 2008 trustees of the Michigan State University.
-#                   All rights reserved.
+# (c) 2024 The Trustees of Columbia University in the City of New York.
+# All rights reserved.
 #
-# File coded by:    Pavol Juhas
+# File coded by: Billinge Group members and community contributors.
 #
-# See AUTHORS.txt for a list of people who contributed.
-# See LICENSE.txt for license information.
+# See GitHub contributions for a more detailed list of contributors.
+# https://github.com/diffpy/diffpy.pdfgui/graphs/contributors
+#
+# See LICENSE.rst for license information.
 #
 ##############################################################################
 
-"""diffpy - tools for structure analysis by diffraction.
-
-Blank namespace package.
-"""
+"""Blank namespace package for module diffpy."""
 
 
 from pkgutil import extend_path
 
 __path__ = extend_path(__path__, __name__)
 
-
 # End of file

src/diffpy/pdfgui/version.py

@@ -1,25 +1,27 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# PDFgui            by DANSE Diffraction group
-#                   Simon J. L. Billinge
-#                   (c) 2008 trustees of the Michigan State University.
-#                   All rights reserved.
+# (c) 2024 The Trustees of Columbia University in the City of New York.
+# All rights reserved.
 #
-# File coded by:    Pavol Juhas
+# File coded by: Billinge Group members and community contributors.
 #
-# See AUTHORS.txt for a list of people who contributed.
-# See LICENSE.txt for license information.
+# See GitHub contributions for a more detailed list of contributors.
+# https://github.com/diffpy/diffpy.pdfgui/graphs/contributors
+#
+# See LICENSE.rst for license information.
 #
 ##############################################################################
 
-"""Definition of __version__ and __date__."""
+"""Definition of __version__."""
+
+#  We do not use the other three variables, but can be added back if needed.
+#  __all__ = ["__date__", "__git_commit__", "__timestamp__", "__version__"]
 
 import os
 import time
 from importlib.metadata import distribution, version
 
+# obtain version information
 __date__ = time.ctime(os.path.getctime(distribution("diffpy.pdfgui")._path))
 __version__ = version("diffpy.pdfgui")
-
-# End of file