weac 3.0.0__tar.gz → 3.0.2__tar.gz

{weac-3.0.0 → weac-3.0.2}/CITATION.cff

@@ -8,7 +8,7 @@ authors:
 - family-names: "Weissgraeber"
   given-names: "Philipp"
   orcid: "https://orcid.org/0000-0001-8320-8672"
-version: 3.0.0
+version: 3.0.2
 date-released: 2021-12-30
 identifiers:
   - description: Collection of archived snapshots of all versions of WEAC

weac-3.0.2/LICENSE

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2025 2phi GbR and contributors
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

weac-3.0.2/MANIFEST.in

@@ -0,0 +1,7 @@
+# Include the CITATION.cff / img / test suite in the sdist
+include CITATION.cff
+include img/*.png
+recursive-include tests *.py
+
+# Exclude the docs directory from the sdist
+prune docs

{weac-3.0.0/weac.egg-info → weac-3.0.2}/PKG-INFO

@@ -1,9 +1,9 @@
 Metadata-Version: 2.4
 Name: weac
-Version: 3.0.0
+Version: 3.0.2
 Summary: Weak layer anticrack nucleation model
 Author-email: 2phi GbR <mail@2phi.de>
-License: Proprietary
+License-Expression: MIT
 Project-URL: Homepage, https://github.com/2phi/weac
 Project-URL: Demo, https://github.com/2phi/weac/blob/main/demo/demo.ipynb
 Project-URL: Documentation, https://2phi.github.io/weac
@@ -11,7 +11,6 @@ Project-URL: Issues and feature requests, https://github.com/2phi/weac/issues
 Classifier: Programming Language :: Python :: 3
 Classifier: Programming Language :: Python :: 3.12
 Classifier: Programming Language :: Python :: 3.13
-Classifier: License :: Other/Proprietary License
 Classifier: Operating System :: OS Independent
 Classifier: Topic :: Scientific/Engineering
 Requires-Python: >=3.12
@@ -36,6 +35,9 @@ Requires-Dist: traitlets>=5.14.3; extra == "interactive"
 Provides-Extra: docs
 Requires-Dist: sphinx; extra == "docs"
 Requires-Dist: sphinxawesome-theme; extra == "docs"
+Provides-Extra: build
+Requires-Dist: build; extra == "build"
+Requires-Dist: twine; extra == "build"
 Provides-Extra: dev
 Requires-Dist: nbclient>=0.10.0; extra == "dev"
 Requires-Dist: nbconvert>=7.16.4; extra == "dev"
@@ -55,7 +57,7 @@ Requires-Dist: pylint>=3.2.0; extra == "dev"
 Requires-Dist: pycodestyle>=2.11.1; extra == "dev"
 Requires-Dist: black>=24.4.0; extra == "dev"
 Requires-Dist: isort>=5.13.0; extra == "dev"
-Requires-Dist: bump2version>=1.0.1; extra == "dev"
+Requires-Dist: bump-my-version; extra == "dev"
 Dynamic: license-file
 
 <!-- LOGO AND TITLE-->
@@ -128,12 +130,13 @@ Dynamic: license-file
 
 1. [About the project](#about-the-project)
 2. [Installation](#installation)
-3. [Usage](#usage)
-4. [Roadmap](#roadmap)
-5. [Release history](#release-history)
-6. [How to contribute](#how-to-contribute)
-7. [License](#license)
-8. [Contact](#contact)
+3. [Development Setup](#development-setup)
+4. [Usage](#usage)
+5. [Roadmap](#roadmap)
+6. [Release history](#release-history)
+7. [How to contribute](#how-to-contribute)
+8. [License](#license)
+9. [Contact](#contact)
 
 <!-- ABOUT THE PROJECT -->
 ## About the project
@@ -189,6 +192,100 @@ Needs (runtime dependencies are declared in [pyproject.toml](https://github.com/
 - [Snowpylot](https://github.com/connellymk/snowpylot) ≥ 1.1.3
 
 
+<!-- DEVELOPMENT SETUP -->
+## Development Setup
+
+This project uses [uv](https://github.com/astral-sh/uv) for fast Python package management and project handling.
+
+### Installing uv
+
+Install uv following the [official installation guide](https://github.com/astral-sh/uv#installation):
+
+```bash
+# On macOS and Linux
+curl -LsSf https://astral.sh/uv/install.sh | sh
+
+# Using pip (alternative)
+pip install uv
+```
+
+### Setting up the development environment
+
+Clone the repository and set up the development environment:
+
+```bash
+git clone https://github.com/2phi/weac
+cd weac
+
+# Install Python 3.12+ if not already available
+# uv will automatically use the version specified in .python-version
+
+# For basic setup (if only running the package):
+uv sync
+
+# For development (recommended for contributors):
+uv sync --extra dev
+
+# Activate the virtual environment
+source .venv/bin/activate  # On Windows: .venv\Scripts\activate
+```
+
+### Running tests
+
+Run the test suite using uv:
+
+```bash
+# Run all tests
+uv run python tests/run_tests.py
+
+# Or use pytest directly (if installed)
+uv run pytest
+```
+
+### Code formatting and linting
+
+This project uses [ruff](https://github.com/astral-sh/ruff) for fast Python linting and formatting:
+
+```bash
+# Format code
+uv run ruff format .
+
+# Check for linting issues
+uv run ruff check .
+
+# Fix auto-fixable linting issues
+uv run ruff check . --fix
+```
+
+### Building the package
+
+Build the package for distribution:
+
+```bash
+# Build wheel and source distribution
+uv build
+
+# Install in editable mode for development
+uv pip install -e .
+```
+
+### Additional uv commands
+
+```bash
+# Update dependencies
+uv sync --upgrade
+
+# Add a new dependency
+uv add package-name
+
+# Add a development dependency
+uv add --dev package-name
+
+# Show environment info
+uv run python --version
+uv run pip list
+```
+
 <!-- USAGE EXAMPLES -->
 ## Usage
 

{weac-3.0.0 → weac-3.0.2}/README.md

@@ -68,12 +68,13 @@
 
 1. [About the project](#about-the-project)
 2. [Installation](#installation)
-3. [Usage](#usage)
-4. [Roadmap](#roadmap)
-5. [Release history](#release-history)
-6. [How to contribute](#how-to-contribute)
-7. [License](#license)
-8. [Contact](#contact)
+3. [Development Setup](#development-setup)
+4. [Usage](#usage)
+5. [Roadmap](#roadmap)
+6. [Release history](#release-history)
+7. [How to contribute](#how-to-contribute)
+8. [License](#license)
+9. [Contact](#contact)
 
 <!-- ABOUT THE PROJECT -->
 ## About the project
@@ -129,6 +130,100 @@ Needs (runtime dependencies are declared in [pyproject.toml](https://github.com/
 - [Snowpylot](https://github.com/connellymk/snowpylot) ≥ 1.1.3
 
 
+<!-- DEVELOPMENT SETUP -->
+## Development Setup
+
+This project uses [uv](https://github.com/astral-sh/uv) for fast Python package management and project handling.
+
+### Installing uv
+
+Install uv following the [official installation guide](https://github.com/astral-sh/uv#installation):
+
+```bash
+# On macOS and Linux
+curl -LsSf https://astral.sh/uv/install.sh | sh
+
+# Using pip (alternative)
+pip install uv
+```
+
+### Setting up the development environment
+
+Clone the repository and set up the development environment:
+
+```bash
+git clone https://github.com/2phi/weac
+cd weac
+
+# Install Python 3.12+ if not already available
+# uv will automatically use the version specified in .python-version
+
+# For basic setup (if only running the package):
+uv sync
+
+# For development (recommended for contributors):
+uv sync --extra dev
+
+# Activate the virtual environment
+source .venv/bin/activate  # On Windows: .venv\Scripts\activate
+```
+
+### Running tests
+
+Run the test suite using uv:
+
+```bash
+# Run all tests
+uv run python tests/run_tests.py
+
+# Or use pytest directly (if installed)
+uv run pytest
+```
+
+### Code formatting and linting
+
+This project uses [ruff](https://github.com/astral-sh/ruff) for fast Python linting and formatting:
+
+```bash
+# Format code
+uv run ruff format .
+
+# Check for linting issues
+uv run ruff check .
+
+# Fix auto-fixable linting issues
+uv run ruff check . --fix
+```
+
+### Building the package
+
+Build the package for distribution:
+
+```bash
+# Build wheel and source distribution
+uv build
+
+# Install in editable mode for development
+uv pip install -e .
+```
+
+### Additional uv commands
+
+```bash
+# Update dependencies
+uv sync --upgrade
+
+# Add a new dependency
+uv add package-name
+
+# Add a development dependency
+uv add --dev package-name
+
+# Show environment info
+uv run python --version
+uv run pip list
+```
+
 <!-- USAGE EXAMPLES -->
 ## Usage
 

{weac-3.0.0 → weac-3.0.2}/pyproject.toml

@@ -4,19 +4,17 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "weac"
-version = "3.0.0"
-authors = [
-    {name = "2phi GbR", email = "mail@2phi.de"},
-]
+version = "3.0.2"
+authors = [{ name = "2phi GbR", email = "mail@2phi.de" }]
 description = "Weak layer anticrack nucleation model"
 readme = "README.md"
 requires-python = ">=3.12"
-license = { text = "Proprietary" }
+license = "MIT"
+license-files = ["LICENSE*"]
 classifiers = [
     "Programming Language :: Python :: 3",
     "Programming Language :: Python :: 3.12",
     "Programming Language :: Python :: 3.13",
-    "License :: Other/Proprietary License",
     "Operating System :: OS Independent",
     "Topic :: Scientific/Engineering",
 ]
@@ -48,6 +46,7 @@ interactive = [
     "traitlets>=5.14.3",
 ]
 docs = ["sphinx", "sphinxawesome-theme"]
+build = ["build", "twine"]
 dev = [
     # Notebook execution (to run demo.ipynb non-interactively)
     "nbclient>=0.10.0",
@@ -74,12 +73,14 @@ dev = [
     "isort>=5.13.0",
 
     # Versioning helper matching [tool.bumpversion]
-    "bump2version>=1.0.1",
+    "bump-my-version", # e.g. bump-my-version bump patch
 ]
 
 [tool.setuptools]
-packages = ["weac"]
-package-data = { "*" = ["CITATION.cff"], "img" = ["*.png"] }
+package-dir = { "" = "src" }
+
+[tool.setuptools.packages.find]
+where = ["src"]
 
 [tool.ruff.lint]
 ignore = ["E741"]
@@ -122,9 +123,7 @@ ignore = [
 ]
 
 [tool.bumpversion]
-current_version = "3.0.0"
-tag = true
-commit = true
+current_version = "3.0.2"
 
 [[tool.bumpversion.files]]
 filename = "pyproject.toml"
@@ -133,9 +132,9 @@ filename = "pyproject.toml"
 filename = "CITATION.cff"
 
 [[tool.bumpversion.files]]
-filename = "weac/__init__.py"
+filename = "src/weac/__init__.py"
 search = "__version__ = \"{current_version}\""
 replace = "__version__ = \"{new_version}\""
 
 [[tool.bumpversion.files]]
-filename = "demo/demo.ipynb"
+filename = "demo/demo.ipynb"

{weac-3.0.0 → weac-3.0.2/src}/weac/__init__.py

@@ -2,4 +2,4 @@
 WEAC - Weak Layer Anticrack Nucleation Model
 """
 
-__version__ = "3.0.0"
+__version__ = "3.0.2"

weac-3.0.2/src/weac/analysis/__init__.py

@@ -0,0 +1,23 @@
+"""
+This package contains modules for analyzing the results of the WEAC model.
+"""
+
+from .analyzer import Analyzer
+from .criteria_evaluator import (
+    CoupledCriterionHistory,
+    CoupledCriterionResult,
+    CriteriaEvaluator,
+    FindMinimumForceResult,
+    SSERRResult,
+)
+from .plotter import Plotter
+
+__all__ = [
+    "Analyzer",
+    "CriteriaEvaluator",
+    "CoupledCriterionHistory",
+    "CoupledCriterionResult",
+    "FindMinimumForceResult",
+    "SSERRResult",
+    "Plotter",
+]