git, codecov, cfgs, news dir, MANIFEST

.codecov.yml

@@ -1,2 +1,14 @@
-fixes:
-  - ".*/site-packages/::src/"
+coverage:
+  status:
+    project: # more options at https://docs.codecov.com/docs/commit-status
+      default:
+        target: auto # use the coverage from the base commit, fail if coverage is lower
+        threshold: 0% # allow the coverage to drop by
+
+comment:
+  layout: " diff, flags, files"
+  behavior: default
+  require_changes: false
+  require_base: false # [true :: must have a base report to post]
+  require_head: false # [true :: must have a head report to post]
+  hide_project_coverage: false # [true :: only show coverage on the git diff aka patch coverage]

.codespell/ignore_words.txt

@@ -10,15 +10,6 @@ socio-economic
 ;; Frobenius norm used in np.linalg.norm
 fro
 
-;; abbreviation for "structure"
-struc
-
-;; method name within JournalPanel class
-onText
-
-;; a method name within JournalPanel class
-delt
-
 ;; structure file format
 discus
 

.gitignore

@@ -1,52 +1,92 @@
+# Byte-compiled / optimized / DLL files
+__pycache__/
 *.py[cod]
+*$py.class
 
 # C extensions
 *.so
 
-# Packages
-*.egg
-*.egg-info
-dist
-build
-eggs
-parts
-bin
-var
-sdist
-temp
-develop-eggs
+# Distribution / packaging
+.Python
+env/
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+venv/
+*.egg-info/
 .installed.cfg
-lib
-lib64
-tags
+*.egg
+bin/
+temp/
+tags/
 errors.err
 
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
 # Installer logs
 pip-log.txt
+pip-delete-this-directory.txt
 MANIFEST
 
 # Unit test / coverage reports
+htmlcov/
+.tox/
 .coverage
-.tox
+.coverage.*
+.cache
 nosetests.xml
+coverage.xml
+*,cover
+.hypothesis/
 
 # Translations
 *.mo
+*.pot
 
 # Mr Developer
 .mr.developer.cfg
 .project
 .pydevproject
-.settings
-
-# SCons build files
-.gdb_history
-.sconf_temp/
-.sconsign.dblite
-config.log
-/sconscript.local
-/sconsvars.py
-
-# version information
-setup.cfg
-/src/diffpy/*/version.cfg
+
+# Django stuff:
+*.log
+
+# Sphinx documentation
+docs/build/
+docs/source/generated/
+
+# pytest
+.pytest_cache/
+
+# PyBuilder
+target/
+
+# Editor files
+# mac
+.DS_Store
+*~
+
+# vim
+*.swp
+*.swo
+
+# pycharm
+.idea/
+
+# VSCode
+.vscode/
+
+# Ipython Notebook
+.ipynb_checkpoints

MANIFEST.in

@@ -1,17 +1,12 @@
-recursive-include src *
-include SConstruct
-include AUTHORS.txt LICENSE*.txt README.rst
-recursive-exclude src *.pyc *.so
-global-exclude .gitattributes .gitignore .gitarchive.cfg
-global-exclude .DS_Store
+graft src
+graft tests
+graft requirements
 
-# Avoid user content in setup.cfg to make distribution reproducible.
-exclude setup.cfg
+include AUTHORS.rst LICENSE*.rst README.rst
 
-# Exclude git-tracked files spuriously added by setuptools_scm
-exclude .coveragerc
-exclude .travis*
-prune conda-recipe
-prune devutils
-prune doc
-prune examples
+# Exclude all bytecode files and __pycache__ directories
+global-exclude *.py[cod]  # Exclude all .pyc, .pyo, and .pyd files.
+global-exclude .DS_Store  # Exclude Mac filesystem artifacts.
+global-exclude __pycache__  # Exclude Python cache directories.
+global-exclude .git*  # Exclude git files and directories.
+global-exclude .idea  # Exclude PyCharm project settings.

environment.yml

@@ -1,4 +1,4 @@
-name: diffpy.pdfgui
+name: diffpy.srreal
 channels:
   - conda-forge
 dependencies:

news/TEMPLATE.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>