HEACalculator 2.0.0__tar.gz

heacalculator-2.0.0/.github/dependabot.yml

@@ -0,0 +1,26 @@
+version: 2
+updates:
+  - package-ecosystem: "uv"
+    directory: "/"
+    schedule:
+      interval: "monthly"
+    assignees:
+      - "dogusariturk"
+  - package-ecosystem: "pip"
+    directory: "/"
+    schedule:
+      interval: "monthly"
+    assignees:
+      - "dogusariturk"
+  - package-ecosystem: "github-actions"
+    directory: "/"
+    schedule:
+      interval: "monthly"
+    assignees:
+      - "dogusariturk"
+  - package-ecosystem: "pre-commit"
+    directory: "/"
+    schedule:
+      interval: "monthly"
+    assignees:
+      - "dogusariturk"

heacalculator-2.0.0/.github/workflows/gh-pages.yml

@@ -0,0 +1,36 @@
+name: Build GitHub Pages
+
+on:
+  push:
+    branches: [master]
+    paths:
+      - 'docs/**'
+  workflow_dispatch:
+
+permissions:
+  contents: write
+  pages: write
+
+jobs:
+  deploy-docs:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v6.0.2
+
+      - name: Set up Python
+        uses: actions/setup-python@v6.2.0
+        with:
+          python-version: "3.14"
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v8.1.0
+        with:
+          enable-cache: true
+
+      - name: Install dependencies
+        run: uv sync --locked --all-extras
+
+      - name: Deploy documentation to GitHub Pages
+        run: uv run mkdocs gh-deploy --force

heacalculator-2.0.0/.github/workflows/lint.yml

@@ -0,0 +1,34 @@
+name: Lint
+
+on:
+  push:
+    branches: [master]
+  pull_request:
+    branches: [master]
+  workflow_dispatch:
+
+jobs:
+  lint:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v6.0.2
+
+      - name: Set up Python
+        uses: actions/setup-python@v6.2.0
+        with:
+          python-version: '3.14'
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v8.1.0
+        with:
+          enable-cache: true
+
+      - name: Install dependencies
+        run: uv sync --all-extras
+
+      - name: Run prek
+        uses: j178/prek-action@v2.0.4
+        with:
+          prek-version: '0.3.8'

heacalculator-2.0.0/.github/workflows/release.yml

@@ -0,0 +1,43 @@
+name: Release to PyPI
+
+on:
+  release:
+    types: ["published"]
+
+jobs:
+  test:
+    uses: ./.github/workflows/tests.yml
+    secrets: inherit
+
+  release:
+    name: "Build and publish release"
+    needs: test
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+    permissions:
+      id-token: write
+      contents: read
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v6.0.2
+
+      - name: Set up Python
+        uses: actions/setup-python@v6.2.0
+        with:
+          python-version: "3.14"
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v8.1.0
+        with:
+          enable-cache: true
+
+      - name: Install dependencies
+        run: uv sync --locked --all-extras --dev
+
+      - name: Build
+        run: uv build
+
+      - name: Publish
+        run: uv publish

heacalculator-2.0.0/.github/workflows/tests.yml

@@ -0,0 +1,46 @@
+name: Tests
+
+on:
+  push:
+    branches: [master]
+  pull_request:
+    branches: [master]
+  workflow_call:
+  workflow_dispatch:
+
+jobs:
+  test:
+    name: Test (Python ${{ matrix.python-version }}, ${{ matrix.os }})
+    runs-on: ${{ matrix.os }}
+
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest, windows-latest, macos-latest, macos-26-intel]
+        python-version: ["3.10", "3.11", "3.12", "3.13", "3.14"]
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v6.0.2
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v6.2.0
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v8.1.0
+        with:
+          enable-cache: true
+
+      - name: Install EGL libraries (Linux only)
+        if: runner.os == 'Linux'
+        run: sudo apt-get install -y libegl1
+
+      - name: Install dependencies
+        run: uv sync --all-extras
+
+      - name: Run tests
+        env:
+          QT_QPA_PLATFORM: offscreen
+        run: uv run pytest tests/ -v

heacalculator-2.0.0/.gitignore

@@ -0,0 +1,127 @@
+.idea/**
+.idea/**/workspace.xml
+.idea/**/tasks.xml
+.idea/**/usage.statistics.xml
+.idea/**/dictionaries
+.idea/**/shelf
+.idea/**/aws.xml
+.idea/**/contentModel.xml
+.idea/**/dataSources/
+.idea/**/dataSources.ids
+.idea/**/dataSources.local.xml
+.idea/**/sqlDataSources.xml
+.idea/**/dynamic.xml
+.idea/**/uiDesigner.xml
+.idea/**/dbnavigator.xml
+.idea/**/gradle.xml
+.idea/**/libraries
+cmake-build-*/
+.idea/**/mongoSettings.xml
+*.iws
+out/
+.idea_modules/
+atlassian-ide-plugin.xml
+.idea/replstate.xml
+.idea/sonarlint/
+com_crashlytics_export_strings.xml
+crashlytics.properties
+crashlytics-build.properties
+fabric.properties
+.idea/httpRequests
+.idea/caches/build_file_checksums.ser
+.DS_Store
+.AppleDouble
+.LSOverride
+Icon
+._*
+.DocumentRevisions-V100
+.fseventsd
+.Spotlight-V100
+.TemporaryItems
+.Trashes
+.VolumeIcon.icns
+.com.apple.timemachine.donotpresent
+.AppleDB
+.AppleDesktop
+Network Trash Folder
+Temporary Items
+.apdisk
+__pycache__/
+*.py[cod]
+*$py.class
+*.so
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+*.manifest
+*.spec
+pip-log.txt
+pip-delete-this-directory.txt
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py,cover
+.hypothesis/
+.pytest_cache/
+cover/
+*.mo
+*.pot
+*.log
+local_settings.py
+db.sqlite3
+db.sqlite3-journal
+instance/
+.webassets-cache
+.scrapy
+docs/_build/
+.pybuilder/
+target/
+.ipynb_checkpoints
+profile_default/
+ipython_config.py
+.pdm.toml
+.pdm-python
+.pdm-build/
+__pypackages__/
+celerybeat-schedule
+celerybeat.pid
+*.sage.py
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+.spyderproject
+.spyproject
+.ropeproject
+/site
+.mypy_cache/
+.dmypy.json
+dmypy.json
+.pyre/
+.pytype/
+cython_debug/
+.python-version

heacalculator-2.0.0/.pre-commit-config.yaml

@@ -0,0 +1,35 @@
+repos:
+
+  - repo: https://github.com/astral-sh/uv-pre-commit
+    rev: 0.11.18
+    hooks:
+      - id: uv-lock
+
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.15.15
+    hooks:
+      - id: ruff-check
+        args: [ "--fix" ]
+      - id: ruff-format
+
+  # ty official pre-commit hook not yet released by Astral (tracked in astral-sh/ty#269).
+  # Using local uvx hook as the safest option:
+  - repo: local
+    hooks:
+      - id: ty
+        name: ty type check
+        language: system
+        entry: uvx ty check
+        types_or: [python, pyi]
+        pass_filenames: false
+
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v6.0.0
+    hooks:
+      - id: trailing-whitespace
+      - id: end-of-file-fixer
+      - id: check-case-conflict
+      - id: mixed-line-ending
+      - id: check-yaml
+      - id: check-toml
+      - id: check-merge-conflict

heacalculator-2.0.0/CITATION.cff

@@ -0,0 +1,15 @@
+cff-version: 1.2.0
+message: "If you use this software, please cite it as below."
+title: HEACalculator
+version: 2.0.0
+date-released: "2026-06-02"
+license: GPL-3.0-or-later
+repository-code: "https://github.com/dogusariturk/HEACalculator"
+doi: 10.5281/zenodo.3590318
+url: "https://doi.org/10.5281/zenodo.3590318"
+abstract: "A Python tool for calculating phenomenological parameters to predict solid solution formation in High Entropy Alloys (HEAs). Provides both a CLI and GUI interface."
+authors:
+  - family-names: "Sarıtürk"
+    given-names: "Doğuhan"
+    email: dogu.sariturk@gmail.com
+    orcid: "https://orcid.org/0000-0003-0008-1165"