simstack 0.2.0__tar.gz

simstack-0.2.0/.cruft.json

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+{
+  "template": "https://github.com/NanomatchGmbH/python-pixi-cruft.git",
+  "commit": "0f30d06b4aa86bf4c444ac4062b096304fa40262",
+  "checkout": null,
+  "context": {
+    "cookiecutter": {
+      "author_name": "Wolfgang Wenzel",
+      "email": "wolfgang.wenzel@kit.edu",
+      "github_username": "wolfgang.wenzel",
+      "project_name": "simstack-model",
+      "project_slug": "simstack_model",
+      "project_short_description": "A short description of the project",
+      "github_url": "https://gitlab.kit.edu/kit/ag_wenzel/simstack-model/",
+      "conda_publish_url": "https://prefix.dev/api/v1/upload/your_channel",
+      "_template": "https://github.com/NanomatchGmbH/python-pixi-cruft.git"
+    }
+  },
+  "directory": null
+}

simstack-0.2.0/.dockerignore

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+# Git
+.git
+.gitignore
+
+# Python
+__pycache__
+*.pyc
+*.pyo
+*.pyd
+.Python
+pip-log.txt
+pip-delete-this-directory.txt
+.tox
+.coverage
+.coverage.*
+.pytest_cache
+nosetests.xml
+coverage.xml
+*.cover
+*.log
+.mypy_cache
+
+# Pixi (keep lock file)
+.pixi/
+!pixi.lock
+
+# Conda/Mamba
+.conda/
+.mamba/
+
+# Documentation
+doc/
+docs/
+*.md
+!README.md
+
+# Development
+.vscode/
+.idea/
+*.swp
+*.swo
+
+# OS
+.DS_Store
+Thumbs.db
+
+# Project specific
+.env*
+debug.txt
+*.lock
+!pixi.lock
+
+# Build artifacts
+build/
+dist/
+*.egg-info/
+
+# udocker specific
+.udocker/

simstack-0.2.0/.github/workflows/ci.yml

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+name: CI
+
+on:
+  push:
+    branches: [ "main", "master" ]
+  pull_request:
+    branches: [ "main", "master" ]
+
+jobs:
+  test:
+    name: Test on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest, windows-latest]
+        python-version: ["3.12"]
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v3
+        with:
+          enable-cache: true
+          cache-dependency-glob: "uv.lock"
+
+      - name: "Set up Python ${{ matrix.python-version }}"
+        run: uv python install ${{ matrix.python-version }}
+
+      - name: Install dependencies
+        run: uv sync --all-extras --dev
+
+      - name: Run tests
+        # Runs pytest with coverage, skipping 'local_runner' tests as per previous configuration
+        run: uv run python -m pytest tests/ --junitxml=pytest.xml --cov-report=term-missing --cov=simstack --cov-config=pyproject.toml -m "not local_runner"

simstack-0.2.0/.github/workflows/conda_build.yml

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+name: "Build Conda Package"
+on:
+  workflow_dispatch:
+defaults:
+  run:
+    shell: bash
+jobs:
+  build_conda_package:
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: true
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+      - name: Setup Pixi
+        uses: prefix-dev/setup-pixi@v0.8.1
+        with:
+          environments: condabuild
+      - name: Build
+        id: build
+        run: |
+          pixi run condabuild --output-folder build/ --no-anaconda-upload
+          OUTPUTFILE=$(pixi run condabuild --output --output-folder build/ --no-anaconda-upload)
+          mkdir -p build/
+          echo "releasepath=`realpath $OUTPUTFILE`" >> $GITHUB_OUTPUT
+
+      - name: Archive code coverage results
+        uses: actions/upload-artifact@v4
+        with:
+          name: condapackage
+          path: ${{ steps.build.outputs.releasepath }}
+
+      - name: Upload to Testing Repo
+        id: upload
+        run: |
+          pixi auth login prefix.dev --token ${{ secrets.PREFIX_PUBLISH_KEY }}
+          pixi upload https://prefix.dev/api/v1/upload/your_channel ${{ steps.build.outputs.releasepath }}

simstack-0.2.0/.github/workflows/cruft.yml

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+name: Cruft
+on:
+  workflow_dispatch:
+concurrency:
+  group: ${{ github.workflow }}
+  cancel-in-progress: true
+jobs:
+  cruft:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+      - name: Setup Pixi
+        uses: prefix-dev/setup-pixi@v0.8.1
+        with:
+          cache: false
+          environments: cruft
+      - name: Update Cruft
+        run: pixi run cruft update -y
+      - name: Create Pull Request
+        uses: peter-evans/create-pull-request@v7
+        with:
+           commit-message: Update to newest Cruft template
+           author: ${{ github.actor }} <${{ github.actor_id }}+${{ github.actor }}@users.noreply.github.com>
+           title: '[Cruft] Update to newest cruft template'
+           labels: |
+             cruft
+             bot

simstack-0.2.0/.github/workflows/pypi_build.yml

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+name: "Build pypi Package"
+on:
+  push:
+    tags:
+      - 'v[0-9]+.[0-9]+.[0-9]+'
+  workflow_dispatch:
+defaults:
+  run:
+    shell: bash
+jobs:
+  build_pypi_package:
+    runs-on: ubuntu-latest
+    permissions:
+      id-token: write
+      contents: read
+    strategy:
+      fail-fast: true
+    # Only run for semantic version tags or manual dispatch
+    if: github.event_name == 'workflow_dispatch' || startsWith(github.ref, 'refs/tags/v')
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+        with:
+          fetch-depth: 0  # Fetch full history to check tag ancestry
+
+      - name: Install the latest version of uv
+        uses: astral-sh/setup-uv@v7
+
+      - name: Verify tag is from main branch
+        if: startsWith(github.ref, 'refs/tags/v')
+        run: |
+          # Check if the current tag is reachable from main branch
+          if ! git merge-base --is-ancestor ${{ github.sha }} origin/main; then
+            echo "Error: Tag ${{ github.ref_name }} is not from main branch"
+            exit 1
+          fi
+          echo "Tag ${{ github.ref_name }} is from main branch - proceeding with build"
+      - name: Build
+        id: build
+        run: |
+          uv build
+      - name: Archive package on github
+        uses: actions/upload-artifact@v4
+        with:
+          name: pypipackage
+          path: dist/*
+
+      - name: Upload to PyPI
+        id: upload
+        run: |
+          if [[ "${{ github.event_name }}" == "push" && "${{ github.ref_type }}" == "tag" ]]; then
+            # Upload to main PyPI for release tags
+            echo "Uploading to main PyPI for release tag ${{ github.ref_name }}"
+            uv publish
+          else
+            # Upload to TestPyPI for manual dispatch
+            echo "Uploading to TestPyPI for manual workflow dispatch"
+            uv publish --index testpypi 
+          fi

simstack-0.2.0/.gitignore

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+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+.idea/
+.run/
+
+# C extensions
+*.so
+
+# pytest output
+pytest-coverage.txt
+pytest.xml
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# 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
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py,cover
+.hypothesis/
+.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/
+
+# 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
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.venv
+.idea
+.run
+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/
+
+# IDE
+test_simstack.toml
+script_runner.out
+# pixi environments
+.pixi
+*.egg-info
+#version
+src/simstack/_version.py

simstack-0.2.0/.pre-commit-config.yaml

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+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.5.0
+    hooks:
+      - id: check-toml
+        exclude: ^(applications|examples|doc|docs)/
+      - id: check-yaml
+        exclude: ^(applications|examples|doc|docs)/
+      - id: end-of-file-fixer
+        exclude: ^(applications|examples|doc|docs)/
+      - id: trailing-whitespace
+        exclude: ^(applications|examples|doc|docs)/
+
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.1.5
+    hooks:
+      - id: ruff
+        args: [--fix, --exit-non-zero-on-fix, --show-fixes]
+        exclude: ^(applications|examples|doc|docs)/
+      - id: ruff-format
+        exclude: ^(applications|examples|doc|docs)/
+  - repo: local
+    hooks:
+      - id: pixi-install
+        name: pixi-install
+        entry: pixi install -e mypy
+        language: system
+        always_run: true
+        require_serial: true
+        pass_filenames: false
+      - id: mypy
+        name: mypy
+        entry: "pixi run -e mypy mypy"
+        language: system
+        pass_filenames: false
+        require_serial: true

simstack-0.2.0/LICENSE

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+MIT License
+
+Copyright (c) 2025 Wolfgang Wenzel
+
+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.