packaging updated

.github/workflows/pythontest.yml

@@ -1,15 +1,12 @@
 name: Python tests
 
 on:
-  # We run CI on pushes to the main branch
   push:
     branches:
       - master
-  # and on all pull requests to the main branch
   pull_request:
     branches:
       - master
-  # as well as upon manual triggers through the 'Actions' tab of the Github UI
   workflow_dispatch:
 
 jobs:
@@ -19,7 +16,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest, macos-latest, windows-latest]
-        python-version: ["3.9", "3.10", "3.11", "3.12"]
+        python-version: ["3.10", "3.11", "3.12"]
 
     steps:
     - name: Checkout repository
@@ -35,7 +32,7 @@ jobs:
 
     - name: Install Python package
       run: |
-        python -m pip install .[tests]
+        python -m pip install .[dev]
     
     - name: Run Python tests
       run: |

.github/workflows/release.yml

@@ -1,27 +1,18 @@
-name: Upload Python Package
+name: PyPi Publisher
 
 on:
+  workflow_dispatch:
   release:
-    types: [created]
+    types: [ published ]
 
 jobs:
-  deploy:
+  pypi-publisher:
     runs-on: ubuntu-latest
     steps:
-    - name: Checkout repository
-      uses: actions/checkout@v4
-    - name: Set up Python
-      uses: actions/setup-python@v5
-      with:
-        python-version: '3.9'
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install setuptools wheel twine
-    - name: Build and publish
-      env:
-        TWINE_USERNAME: __token__
-        TWINE_PASSWORD: ${{ secrets.PYPI_APIKEY }}
-      run: |
-        python setup.py sdist bdist_wheel
-        twine upload dist/*
+      - uses: thevickypedia/pypi-publisher@v3
+        env:
+          token: ${{ secrets.PYPI_APIKEY }}
+        with:
+          python-version: "3.10"
+          skip-existing: true
+

.gitignore

@@ -50,3 +50,6 @@ docs/_build
 
 #codium
 .vscode/
+
+#venv
+.venv/

LICENSE

@@ -1,6 +1,6 @@
 MIT License
 
-PolyLX - python package to visualize and analyze digitized 2D microstructures
+Copyright (c) 2024 Ondrej Lexa
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal
@@ -19,3 +19,4 @@ 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.
+

docs/index.rst

@@ -15,4 +15,4 @@ Contents:
    tutorial
    automodules
 
-.. mdinclude:: ../HISTORY.md
+.. mdinclude:: ../CHANGELOG.md

polylx/__init__.py

@@ -8,6 +8,7 @@
 from .core import Grain, Boundary, Grains, Boundaries, Sample, Fractnet
 from .utils import deg, circular, ortensor
 
+__version__ = "0.5.5"
 __author__ = "Ondrej Lexa"
 __email__ = "[email protected]"
 

pyproject.toml

@@ -0,0 +1,68 @@
+[build-system]
+requires = ["hatchling"]
+build-backend = "hatchling.build"
+
+
+[project]
+name = "polylx"
+dynamic = ["version"]
+description = "A Python package to visualize and analyze microstructures"
+readme = "README.md"
+requires-python = ">=3.10"
+license = { file = "LICENSE" }
+keywords = ["geology", "microstructures"]
+authors = [{ name = "Ondrej Lexa", email = "[email protected]" }]
+maintainers = [
+  { name = "Ondrej Lexa", email = "[email protected]" },
+]
+classifiers = [
+  "Development Status :: 4 - Beta",
+  "Intended Audience :: Science/Research",
+  "License :: OSI Approved :: MIT License",
+  "Programming Language :: Python :: 3",
+  "Programming Language :: Python :: 3.10",
+]
+dependencies = [
+  "numpy",
+  "matplotlib",
+  "pandas",
+  "pyarrow",
+  "seaborn",
+  "networkx",
+  "scipy",
+  "shapely",
+  "pyshp",
+  "pyefd",
+  "jenkspy",
+  "shapelysmooth",
+]
+
+[project.optional-dependencies]
+docs = [
+    "sphinx",
+    "sphinx_mdinclude",
+    "sphinx_rtd_theme",
+    "ipykernel",
+    "nbsphinx",
+    "nbsphinx-link"
+]
+dev = [
+  "pytest",
+  "pytest-cov",
+  "nbval",
+  "black"
+]
+jupyter = ["jupyterlab"]
+
+[project.urls]
+Homepage = "https://github.com/ondrolexa/polylx"
+Documentation = "https://polylx.readthedocs.io/"
+Repository = "https://github.com/ondrolexa/polylx.git"
+Issues = "https://github.com/ondrolexa/polylx/issues"
+Changelog = "https://github.com/ondrolexa/polylx/blob/master/HISTORY.md"
+
+[project.scripts]
+ipolylx = "polylx.shell:main"
+
+[tool.hatch.version]
+path = "polylx/__init__.py"