Update .gitignore to include additional patterns

Author: milanofthe

.gitignore

@@ -1,11 +1,15 @@
 # Byte-compiled / optimized / DLL files
 __pycache__/
-*.py[codz]
+*.py[cod]
 *$py.class
 
 # C extensions
 *.so
 
+# Notebooks (except documentation notebooks)
+*.ipynb
+!docs/**/*.ipynb
+
 # Distribution / packaging
 .Python
 build/
@@ -20,15 +24,12 @@ parts/
 sdist/
 var/
 wheels/
-share/python-wheels/
 *.egg-info/
 .installed.cfg
 *.egg
-MANIFEST
+*.pypirc
 
 # 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
 
@@ -39,174 +40,49 @@ pip-delete-this-directory.txt
 # Unit test / coverage reports
 htmlcov/
 .tox/
-.nox/
 .coverage
 .coverage.*
 .cache
 nosetests.xml
 coverage.xml
 *.cover
-*.py.cover
 .hypothesis/
+test_reports/
+*.pyc
+__pycache__/
 .pytest_cache/
-cover/
-
-# Translations
-*.mo
-*.pot
-
-# Django stuff:
-*.log
-local_settings.py
-db.sqlite3
-db.sqlite3-journal
-
-# Flask stuff:
-instance/
-.webassets-cache
-
-# Scrapy stuff:
-.scrapy
-
-# Sphinx documentation
-docs/_build/
-docs/build/
-docs/source/_autosummary/
-
-# PyBuilder
-.pybuilder/
-target/
 
 # Jupyter Notebook
 .ipynb_checkpoints
 
-# IPython
-profile_default/
-ipython_config.py
-
 # pyenv
-#   For a library or package, you might want to ignore these files since the code is
-#   intended to run in multiple environments; otherwise, check them in:
-# .python-version
-
-# pipenv
-#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
-#   However, in case of collaboration, if having platform-specific dependencies or dependencies
-#   having no cross-platform support, pipenv may install dependencies that don't work, or not
-#   install all needed dependencies.
-#Pipfile.lock
-
-# UV
-#   Similar to Pipfile.lock, it is generally recommended to include uv.lock in version control.
-#   This is especially recommended for binary packages to ensure reproducibility, and is more
-#   commonly ignored for libraries.
-#uv.lock
-
-# poetry
-#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
-#   This is especially recommended for binary packages to ensure reproducibility, and is more
-#   commonly ignored for libraries.
-#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
-#poetry.lock
-#poetry.toml
-
-# pdm
-#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
-#   pdm recommends including project-wide configuration in pdm.toml, but excluding .pdm-python.
-#   https://pdm-project.org/en/latest/usage/project/#working-with-version-control
-#pdm.lock
-#pdm.toml
-.pdm-python
-.pdm-build/
+.python-version
 
-# pixi
-#   Similar to Pipfile.lock, it is generally recommended to include pixi.lock in version control.
-#pixi.lock
-#   Pixi creates a virtual environment in the .pixi directory, just like venv module creates one
-#   in the .venv directory. It is recommended not to include this directory in version control.
-.pixi
-
-# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
-__pypackages__/
-
-# Celery stuff
-celerybeat-schedule
-celerybeat.pid
-
-# SageMath parsed files
-*.sage.py
-
-# Environments
+# Environment
 .env
-.envrc
 .venv
 env/
 venv/
 ENV/
-env.bak/
-venv.bak/
-
-# Spyder project settings
-.spyderproject
-.spyproject
-
-# Rope project settings
-.ropeproject
-
-# mkdocs documentation
-/site
-
-# mypy
-.mypy_cache/
-.dmypy.json
-dmypy.json
-
-# Pyre type checker
-.pyre/
-
-# pytype static type analyzer
-.pytype/
-
-# Cython debug symbols
-cython_debug/
-
-# PyCharm
-#  JetBrains specific template is maintained in a separate JetBrains.gitignore that can
-#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
-#  and can be added to the global gitignore or merged into this file.  For a more nuclear
-#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
-#.idea/
-
-# Abstra
-# Abstra is an AI-powered process automation framework.
-# Ignore directories containing user credentials, local state, and settings.
-# Learn more at https://abstra.io/docs
-.abstra/
 
-# Visual Studio Code
-#  Visual Studio Code specific template is maintained in a separate VisualStudioCode.gitignore 
-#  that can be found at https://github.com/github/gitignore/blob/main/Global/VisualStudioCode.gitignore
-#  and can be added to the global gitignore or merged into this file. However, if you prefer, 
-#  you could uncomment the following to ignore the entire vscode folder
-# .vscode/
+# Shell
+*.bat
 
-# Ruff stuff:
-.ruff_cache/
+# IDEs
+.vscode/
+.idea/
 
-# PyPI configuration file
-.pypirc
+# OS generated files
+.DS_Store
+.DS_Store?
+._*
+.Spotlight-V100
+.Trashes
+ehthumbs.db
+Thumbs.db
 
-# Cursor
-#  Cursor is an AI-powered code editor. `.cursorignore` specifies files/directories to
-#  exclude from AI features like autocomplete and code analysis. Recommended for sensitive data
-#  refer to https://docs.cursor.com/context/ignore-files
-.cursorignore
-.cursorindexingignore
+# Claude
+.claude
 
-# Marimo
-marimo/_static/
-marimo/_lsp/
-__marimo__/
 
-# Version file (generated by setuptools-scm)
-src/pathsim_chem/_version.py
+*_version.py