Cookiecutting - additional files

.codecov.yml

@@ -1,2 +1,34 @@
-fixes:
-  - ".*/site-packages/::src/"
+# codecov can find this file anywhere in the repo, so we don't need to clutter
+# the root folder.
+#comment: false
+
+codecov:
+  notify:
+    require_ci_to_pass: no
+
+coverage:
+  status:
+    patch:
+      default:
+        target: '70'
+        if_no_uploads: error
+        if_not_found: success
+        if_ci_failed: failure
+    project:
+      default: false
+      library:
+        target: auto
+        if_no_uploads: error
+        if_not_found: success
+        if_ci_failed: error
+        paths: '!*/tests/.*'
+
+      tests:
+        target: 97.9%
+        paths: '*/tests/.*'
+        if_not_found: success
+
+flags:
+  tests:
+    paths:
+      - tests/

.coveragerc

@@ -1,6 +1,16 @@
-# Configuration of the coverage.py tool for reporting test coverage.
-
+[run]
+source =
+    diffpy.pdffit2
+omit =
+    ## exclude debug.py from codecov report
+    */tests/debug.py
 [report]
+omit =
+    */python?.?/*
+    */site-packages/nose/*
+    # ignore _version.py and versioneer.py
+    .*version.*
+    *_version.py
 # RE patterns for lines to be excluded from consideration.
 exclude_lines =
     ## Have to re-enable the standard pragma
@@ -13,10 +23,4 @@ exclude_lines =
     ## Don't complain if non-runnable code isn't run:
     ^[ ]*@unittest.skip\b
     ^[ ]{4}unittest.main()
-    if __name__ == .__main__.:
-
-
-[run]
-omit =
-    ## exclude debug.py from codecov report
-    */tests/debug.py
+    if __name__ == '__main__':

.isort.cfg

@@ -0,0 +1,4 @@
+[settings]
+line_length = 115
+multi_line_output = 3
+include_trailing_comma = True

AUTHORS.txt → AUTHORS.rst

@@ -1,3 +1,10 @@
+Authors
+=======
+
+Billinge Group and community contibutors.
+
+----
+
 This code was derived from the first PDFFIT program by Thomas Proffen.
 The sources were converted to C++ by Jacques Bloch and then extensively hacked,
 extended and purged from most glaring bugs by Chris Farrow and Pavol Juhas.
@@ -9,11 +16,17 @@ and Applied Mathematics Department of the Columbia University in New York.
 Currently the team consists of
 
     Simon Billinge
+
     Pavol Juhas
+
     Chris Farrow
+
     Emil Bozin
+
     Wenduo Zhou
+
     Peng Tian
+
     Timur Dykhne
 
 Please see the header of each source file for a detailed list of
@@ -30,7 +43,8 @@ found at http://danse.us.  Any opinions, findings, and conclusions or
 recommendations expressed in this material are those of the author(s)
 and do not necessarily reflect the views of the NSF.
 
-Acknowledgments:
+Acknowledgments
+---------------
 
 We are truly grateful to all the people who have contributed, in all
 different ways, to this project:  Thomas Proffen, Xiangyun Qiu, Pete
@@ -45,3 +59,10 @@ especially HyunJeong Kim and Ahmad Masadeh for enthusiastic testing and
 feature requests;  Last but not least, our long suffering family members,
 and the whole coffee and tea industries at large, without whom none of
 this would have been possible.
+
+
+Contributors
+------------
+
+For a list of contributors, visit
+https://github.com/diffpy/diffpy.pdffit2/graphs/contributors

CHANGELOG.rst

@@ -0,0 +1,26 @@
+=============
+Release Notes
+=============
+
+No notable functional changes from 1.4.1
+
+--------------------------
+Version 1.4.2 – 2023-12-09
+--------------------------
+
+Added
+=====
+
+- Support for Python 3.11, 3.12
+
+Changed
+=======
+
+Deprecated
+==========
+
+Removed
+=======
+
+Fixed
+=====