diff --git a/.github/ISSUE_TEMPLATE/release_checklist.md b/.github/ISSUE_TEMPLATE/release_checklist.md
@@ -11,12 +11,13 @@ assignees: ""
 - [ ] 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.
+- [ ] Locally rendered documentation contains all appropriate pages, tutorials, and other human-written text is up-to-date with any changes in the code.
+- [ ] All API references are included. To check this, run `conda install scikit-package` and then `package build api-doc`. Review any edits made by rerendering the docs locally.
 - [ ] Installation instructions in the README, documentation, and the website are updated.
 - [ ] Successfully run any tutorial examples or do functional testing with the latest Python version.
 - [ ] Grammar and writing quality are checked (no typos).
 - [ ] Install `pip install build twine`, run `python -m build` and `twine check dist/*` to ensure that the package can be built and is correctly formatted for PyPI release.
+- [ ] Dispatch matrix testing to test the release on all Python versions and systems. If you do not have permission to run this workflow, tag the maintainer and say `@maintainer, please dispatch matrix testing workflow`.
 
 Please tag the maintainer (e.g., @username) in the comment here when you are ready for the PyPI/GitHub release. Include any additional comments necessary, such as version information and details about the pre-release here:
 

diff --git a/.github/workflows/build-and-publish-docs-on-dispatch.yml b/.github/workflows/build-and-publish-docs-on-dispatch.yml
@@ -0,0 +1,18 @@
+name: Build and Publish Docs on Dispatch
+
+on:
+  workflow_dispatch:
+
+jobs:
+  get-python-version:
+    uses: scikit-package/release-scripts/.github/workflows/_get-python-version-latest.yml@v0
+    with:
+      python_version: 0
+
+  docs:
+    uses: scikit-package/release-scripts/.github/workflows/_release-docs.yml@v0
+    with:
+      project: diffpy.structure
+      c_extension: false
+      headless: false
+      python_version: ${{ fromJSON(needs.get-python-version.outputs.latest_python_version) }}
diff --git a/.github/workflows/build-wheel-release-upload.yml b/.github/workflows/build-wheel-release-upload.yml
@@ -1,4 +1,4 @@
-name: Release (GitHub/PyPI) and Deploy Docs
+name: Build Wheel, Release on GitHub/PyPI, and Deploy Docs
 
 on:
   workflow_dispatch:
@@ -7,7 +7,7 @@ on:
       - "*" # Trigger on all tags initially, but tag and release privilege are verified in _build-wheel-release-upload.yml
 
 jobs:
-  release:
+  build-release:
     uses: scikit-package/release-scripts/.github/workflows/_build-wheel-release-upload.yml@v0
     with:
       project: diffpy.structure

diff --git a/.github/workflows/matrix-and-codecov.yml b/.github/workflows/matrix-and-codecov.yml
@@ -0,0 +1,21 @@
+name: Matrix and Codecov
+
+on:
+  # push:
+  #   branches:
+  #     - main
+  release:
+    types:
+      - prereleased
+      - published
+  workflow_dispatch:
+
+jobs:
+  matrix-coverage:
+    uses: scikit-package/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
+    with:
+      project: diffpy.structure
+      c_extension: false
+      headless: false
+    secrets:
+      CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
diff --git a/CODE-OF-CONDUCT.rst b/CODE-OF-CONDUCT.rst
@@ -67,7 +67,7 @@ Enforcement
 
 Instances of abusive, harassing, or otherwise unacceptable behavior may be
 reported to the community leaders responsible for enforcement at
-sb2896@columbia.edu. All complaints will be reviewed and investigated promptly and fairly.
+sbillinge@ucsb.edu. All complaints will be reviewed and investigated promptly and fairly.
 
 All community leaders are obligated to respect the privacy and security of the
 reporter of any incident.

diff --git a/README.rst b/README.rst
@@ -25,6 +25,7 @@
         :target: https://anaconda.org/conda-forge/diffpy.structure
 
 .. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
+        :target: https://github.com/diffpy/diffpy.structure/pulls
 
 .. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.structure
         :target: https://pypi.org/project/diffpy.structure/
@@ -99,6 +100,19 @@ and run the following ::
 
         pip install .
 
+This package also provides command-line utilities. To check the software has been installed correctly, type ::
+
+        diffpy.structure --version
+
+You can also type the following command to verify the installation. ::
+
+        python -c "import diffpy.structure; print(diffpy.structure.__version__)"
+
+
+To view the basic usage and available commands, type ::
+
+        diffpy.structure -h
+
 Getting Started
 ---------------
 
@@ -134,8 +148,15 @@ Improvements and fixes are always appreciated.
 
 Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.structure/blob/main/CODE-OF-CONDUCT.rst>`_.
 
-Acknowledgement
----------------
+Contact
+-------
+
+For more information on diffpy.structure please visit the project `web-page <https://diffpy.github.io/>`_ or email the maintainer``Simon Billinge(sbillinge@ucsb.edu)``.
+
+Acknowledgements
+----------------
+
+``diffpy.structure`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.
 
 Space group codes in *spacegroupmod.py* and *mmlibspacegroups.py*
 originate from the `pymmlib project <http://pymmlib.sourceforge.net>`_.
@@ -144,8 +165,3 @@ Less common settings of space groups were generating using the
 `Computational Crystallography Toolbox <http://cctbx.sourceforge.net>`_.
 
 ``diffpy.structure`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.
-
-Contact
--------
-
-For more information on diffpy.structure please visit the project `web-page <https://diffpy.github.io/>`_ or email Prof. Simon Billinge at sb2896@columbia.edu.
diff --git a/cookiecutter.json b/cookiecutter.json
@@ -0,0 +1,20 @@
+{
+  "author_names": "Simon Billinge, Sangjoon Bob Lee",
+  "author_emails": "sbillinge@ucsb.edu, sl5400@columbia.edu",
+  "maintainer_names": "Simon Billinge, Sangjoon Bob Lee",
+  "maintainer_emails": "sbillinge@ucsb.edu, sl5400@columbia.edu",
+  "maintainer_github_usernames": "sbillinge, bobleesj",
+  "contributors": "Chris Farrow, Pavol Juhas, Simon Billinge, Billinge Group members",
+  "license_holders": "The Trustees of Columbia University in the City of New York",
+  "project_name": "diffpy.structure",
+  "github_username_or_orgname": "diffpy",
+  "github_repo_name": "diffpy.structure",
+  "conda_pypi_package_dist_name": "diffpy.structure",
+  "package_dir_name": "diffpy.structure",
+  "project_short_description": "Crystal structure container and parsers for structure formats.",
+  "project_keywords": "diffpy, crystal structure data storage, CIF, PDB",
+  "minimum_supported_python_version": "3.12",
+  "maximum_supported_python_version": "3.14",
+  "project_needs_c_code_compiled": "No",
+  "project_has_gui_tests": "No"
+}
diff --git a/docs/source/api/diffpy.structure.rst b/docs/source/api/diffpy.structure.rst
@@ -1,7 +1,9 @@
 :tocdepth: -1
 
-diffpy.structure package
-========================
+|title|
+=======
+
+.. |title| replace:: diffpy.structure package
 
 .. automodule:: diffpy.structure
     :members:

diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -32,7 +32,7 @@
 sys.path.insert(0, str(Path("../../src").resolve()))
 
 # abbreviations
-ab_authors = "Chris Farrow, Pavol Juhas,  Simon Billinge, Billinge Group members"
+ab_authors = "Chris Farrow, Pavol Juhas, Simon Billinge, Billinge Group members"
 
 # -- General configuration ------------------------------------------------
 
@@ -50,7 +50,7 @@
     "sphinx.ext.intersphinx",
     "sphinx_rtd_theme",
     "sphinx_copybutton",
-    "m2r",
+    "m2r2",
 ]
 
 # Add any paths that contain templates here, relative to this directory.
@@ -222,7 +222,7 @@
 
 # Output file base name for HTML help builder.
 basename = "diffpy.structure".replace(" ", "").replace(".", "")
-htmlhelp_basename = basename + "docs"
+htmlhelp_basename = basename + "doc"
 
 
 # -- Options for LaTeX output ---------------------------------------------

diff --git a/docs/source/index.rst b/docs/source/index.rst
@@ -4,11 +4,15 @@
 
 .. |title| replace:: diffpy.structure documentation
 
-diffpy.structure - Crystal structure container and parsers for structure formats.
+``diffpy.structure`` - Crystal structure container and parsers for structure formats.
 
-| Software version |release|.
+| Software version |release|
 | Last updated |today|.
 
+===============
+Getting started
+===============
+
 The diffpy.structure package provides objects for storing atomic
 coordinates, displacement parameters and other crystal structure data.
 diffpy.structure supports import and export of structure data in several
@@ -22,16 +26,19 @@ includes definitions of all space groups in over 500 symmetry settings.
 Authors
 =======
 
-diffpy.structure is developed by members of the Billinge Group at
-Columbia University and at Brookhaven National Laboratory including
-Pavol Juhás, Christopher L. Farrow, Xiaohao Yang, Simon J.L. Billinge.
-
-For a detailed list of contributors see
+``diffpy.structure`` is developed by Chris Farrow, Pavol Juhas, Simon Billinge, Billinge Group members. This project is maintained by Simon Billinge. For a detailed list of contributors see
 https://github.com/diffpy/diffpy.structure/graphs/contributors.
 
-===============
-Acknowledgments
-===============
+============
+Installation
+============
+
+See the `README <https://github.com/diffpy/diffpy.structure#installation>`_
+file included with the distribution.
+
+================
+Acknowledgements
+================
 
 Space group codes in *spacegroupmod.py* and *mmlibspacegroups.py*
 originate from the pymmlib project, http://pymmlib.sourceforge.net.
@@ -58,23 +65,15 @@ by citing the following paper in your publication:
    <http://dx.doi.org/10.1107/S2053273315014473>`__,
    *Acta Crystallogr. A* **71**, 562-568 (2015).
 
-============
-Installation
-============
-
-See the `README <https://github.com/diffpy/diffpy.structure#installation>`_
-file included with the distribution.
-
 =================
 Table of contents
 =================
-
 .. toctree::
-   :titlesonly:
+   :maxdepth: 2
 
-   license
-   release
    Package API <api/diffpy.structure>
+   release
+   license
 
 =======
 Indices

diff --git a/news/skpkg-update.rst b/news/skpkg-update.rst
@@ -0,0 +1,23 @@
+**Added:**
+
+* Support for Python 3.14
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* Support for Python 3.11
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>
diff --git a/pyproject.toml b/pyproject.toml
@@ -6,15 +6,15 @@ build-backend = "setuptools.build_meta"
 name = "diffpy.structure"
 dynamic=['version', 'dependencies']
 authors = [
-  { name="Simon Billinge", email="sb2896@columbia.edu" },
+  {name='Simon Billinge', email='sbillinge@ucsb.edu'},
 ]
 maintainers = [
-  { name="Simon Billinge", email="sb2896@columbia.edu" },
+  {name='Simon Billinge', email='sbillinge@ucsb.edu'},
 ]
 description = "Crystal structure container and parsers for structure formats."
 keywords = ['diffpy', 'crystal structure data storage', 'CIF', 'PDB']
 readme = "README.rst"
-requires-python = ">=3.11, <3.14"
+requires-python = ">=3.12, <3.15"
 classifiers = [
         'Development Status :: 5 - Production/Stable',
         'Environment :: Console',
@@ -25,16 +25,13 @@ classifiers = [
         'Operating System :: Microsoft :: Windows',
         'Operating System :: POSIX',
         'Operating System :: Unix',
-        'Programming Language :: Python :: 3.11',
         'Programming Language :: Python :: 3.12',
         'Programming Language :: Python :: 3.13',
+        'Programming Language :: Python :: 3.14',
         'Topic :: Scientific/Engineering :: Physics',
         '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/"
@@ -51,6 +48,9 @@ include = ["*"]  # package names should match these glob patterns (["*"] by defa
 exclude = []  # exclude packages matching these glob patterns (empty by default)
 namespaces = false  # to disable scanning PEP 420 namespaces (true by default)
 
+[project.scripts]
+diffpy-structure = "diffpy.structure.app:main"
+
 [tool.setuptools.dynamic]
 dependencies = {file = ["requirements/pip.txt"]}
 

diff --git a/requirements/docs.txt b/requirements/docs.txt
@@ -2,4 +2,4 @@ sphinx
 sphinx_rtd_theme
 sphinx-copybutton
 doctr
-m2r
+m2r2
diff --git a/src/diffpy/__init__.py b/src/diffpy/__init__.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# (c) 2024-2025 The Trustees of Columbia University in the City of New York.
+# (c) 2024-2026 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
 # File coded by: Billinge Group members and community contributors.

diff --git a/src/diffpy/structure/__init__.py b/src/diffpy/structure/__init__.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# (c) 2024-2025 The Trustees of Columbia University in the City of New York.
+# (c) 2024-2026 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
 # File coded by: Chris Farrow, Pavol Juhas,  Simon Billinge, Billinge Group members.

diff --git a/src/diffpy/structure/_legacy_importer.py b/src/diffpy/structure/_legacy_importer.py
@@ -80,7 +80,11 @@ def exec_module(self, module):
 # ----------------------------------------------------------------------------
 
 # show deprecation warning for diffpy.Structure
-warn(WMSG.format("diffpy.Structure", "diffpy.structure"), DeprecationWarning, stacklevel=2)
+warn(
+    WMSG.format("diffpy.Structure", "diffpy.structure"),
+    DeprecationWarning,
+    stacklevel=2,
+)
 
 # install meta path finder for diffpy.Structure submodules
 sys.meta_path.append(FindRenamedStructureModule())

diff --git a/src/diffpy/structure/apps/anyeye.py b/src/diffpy/structure/apps/anyeye.py
@@ -138,7 +138,10 @@ def convertStructureFile(pd):
     if pd["formula"]:
         formula = pd["formula"]
         if len(formula) != len(stru):
-            emsg = "Formula has %i atoms while structure %i" % (len(formula), len(stru))
+            emsg = "Formula has %i atoms while structure %i" % (
+                len(formula),
+                len(stru),
+            )
             raise RuntimeError(emsg)
         for a, el in zip(stru, formula):
             a.element = el
@@ -217,7 +220,9 @@ def main():
     pd["watch"] = False
     try:
         opts, args = getopt.getopt(
-            sys.argv[1:], "f:whV", ["formula=", "watch", "viewer=", "formats=", "help", "version"]
+            sys.argv[1:],
+            "f:whV",
+            ["formula=", "watch", "viewer=", "formats=", "help", "version"],
         )
     except getopt.GetoptError as errmsg:
         print(errmsg, file=sys.stderr)
-Original file line number
+Diff line change
@@ Expand Up / @@ -2,4 +2,4 @@ sphinx @@
     sphinx_rtd_theme
     sphinx-copybutton
     doctr
-    m2r
+    m2r2