Merge branch 'release/0.0.1'

.cookiecutter.json

@@ -9,7 +9,7 @@
   "email": "[email protected]",
   "friendly_name": "KPM Tools",
   "github_user": "piskunow",
-  "license": "MIT",
+  "license": "BSD 2-Clause",
   "package_name": "kpm_tools",
   "project_name": "kpm-tools",
   "version": "0.0.0"

.darglint

@@ -1,2 +1,3 @@
 [darglint]
 strictness = long
+ignore=DAR101

.flake8

@@ -1,8 +1,7 @@
 [flake8]
 select = B,B9,C,D,DAR,E,F,N,RST,S,W
-ignore = E203,E501,RST201,RST203,RST301,W503
+ignore = E203,E501,RST201,RST203,RST301,W503,C901
 max-line-length = 80
-max-complexity = 10
 docstring-convention = google
 per-file-ignores = tests/*:S101
 rst-roles = class,const,func,meth,mod,ref

.github/workflows/constraints.txt

@@ -1,5 +1,5 @@
-pip==22.1.2
-nox==2022.1.7
-nox-poetry==1.0.0
-poetry==1.1.13
-virtualenv==20.14.1
+pip==23.3.1
+nox==2023.4.22
+nox-poetry==1.0.3
+poetry==1.7.1
+virtualenv==20.24.7

.github/workflows/labeler.yml

@@ -11,9 +11,9 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Check out the repository
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
 
       - name: Run Labeler
-        uses: crazy-max/ghaction-github-labeler@v4.0.0
+        uses: crazy-max/ghaction-github-labeler@v5.0.0
         with:
           skip-delete: true

.github/workflows/release.yml

@@ -12,7 +12,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Check out the repository
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
         with:
           fetch-depth: 2
 
@@ -39,7 +39,7 @@ jobs:
       - name: Detect and tag new version
         id: check-version
         if: steps.check-parent-commit.outputs.sha
-        uses: salsify/[email protected].1
+        uses: salsify/[email protected].3
         with:
           version-command: |
             bash -o pipefail -c "poetry version | awk '{ print \$2 }'"
@@ -57,21 +57,21 @@ jobs:
 
       - name: Publish package on PyPI
         if: steps.check-version.outputs.tag
-        uses: pypa/gh-action-pypi-publish@v1.5.0
+        uses: pypa/gh-action-pypi-publish@v1.8.10
         with:
           user: __token__
           password: ${{ secrets.PYPI_TOKEN }}
 
       - name: Publish package on TestPyPI
         if: "! steps.check-version.outputs.tag"
-        uses: pypa/gh-action-pypi-publish@v1.5.0
+        uses: pypa/gh-action-pypi-publish@v1.8.10
         with:
           user: __token__
           password: ${{ secrets.TEST_PYPI_TOKEN }}
           repository_url: https://test.pypi.org/legacy/
 
       - name: Publish the release notes
-        uses: release-drafter/release-drafter@v5.20.0
+        uses: release-drafter/release-drafter@v5.25.0
         with:
           publish: ${{ steps.check-version.outputs.tag != '' }}
           tag: ${{ steps.check-version.outputs.tag }}

.github/workflows/tests.yml

@@ -1,7 +1,6 @@
 name: Tests
 
 on:
-  - push
   - pull_request
 
 jobs:
@@ -14,16 +13,8 @@ jobs:
         include:
           - { python: "3.10", os: "ubuntu-latest", session: "pre-commit" }
           - { python: "3.10", os: "ubuntu-latest", session: "safety" }
-          - { python: "3.10", os: "ubuntu-latest", session: "mypy" }
-          - { python: "3.9", os: "ubuntu-latest", session: "mypy" }
-          - { python: "3.8", os: "ubuntu-latest", session: "mypy" }
-          - { python: "3.7", os: "ubuntu-latest", session: "mypy" }
           - { python: "3.10", os: "ubuntu-latest", session: "tests" }
           - { python: "3.9", os: "ubuntu-latest", session: "tests" }
-          - { python: "3.8", os: "ubuntu-latest", session: "tests" }
-          - { python: "3.7", os: "ubuntu-latest", session: "tests" }
-          - { python: "3.10", os: "windows-latest", session: "tests" }
-          - { python: "3.10", os: "macos-latest", session: "tests" }
           - { python: "3.10", os: "ubuntu-latest", session: "typeguard" }
           - { python: "3.10", os: "ubuntu-latest", session: "xdoctest" }
           - { python: "3.10", os: "ubuntu-latest", session: "docs-build" }
@@ -35,7 +26,7 @@ jobs:
 
     steps:
       - name: Check out the repository
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
 
       - name: Set up Python ${{ matrix.python }}
         uses: actions/setup-python@v3
@@ -47,20 +38,29 @@ jobs:
           pip install --constraint=.github/workflows/constraints.txt pip
           pip --version
 
-      - name: Upgrade pip in virtual environments
-        shell: python
-        run: |
-          import os
-          import pip
-
-          with open(os.environ["GITHUB_ENV"], mode="a") as io:
-              print(f"VIRTUALENV_PIP={pip.__version__}", file=io)
-
       - name: Install Poetry
         run: |
           pipx install --pip-args=--constraint=.github/workflows/constraints.txt poetry
           poetry --version
 
+      - name: Install System Dependencies (Ubuntu)
+        if: startsWith(matrix.os, 'ubuntu') && (matrix.session 'tests' | matrix.session == 'pre-commit')
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y python3-dev python3-setuptools python3-scipy python3-matplotlib python3-pytest python3-sympy g++ build-essential gfortran libopenblas-dev liblapack-dev libmumps-scotch-dev
+
+      - name: Install Python dependencies (Ubuntu)
+        if: startsWith(matrix.os, 'ubuntu') && (matrix.session 'tests' | matrix.session == 'pre-commit')
+        run: |
+          python -m pip install cython tinyarray
+
+      - name: Clone and Install kwant (Ubuntu)
+        if: startsWith(matrix.os, 'ubuntu') && (matrix.session 'tests' | matrix.session == 'pre-commit')
+        run: |
+          git clone https://github.com/kwant-project/kwant.git
+          cd kwant
+          git checkout master
+
       - name: Install Nox
         run: |
           pipx install --pip-args=--constraint=.github/workflows/constraints.txt nox
@@ -91,6 +91,11 @@ jobs:
           restore-keys: |
             ${{ steps.pre-commit-cache.outputs.result }}-
 
+      # Add this step to install Pandoc
+      - name: Install pandoc
+        if: matrix.session == 'docs-build'
+        run: sudo apt-get install pandoc
+
       - name: Run Nox
         run: |
           nox --python=${{ matrix.python }}
@@ -114,7 +119,7 @@ jobs:
     needs: tests
     steps:
       - name: Check out the repository
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
 
       - name: Set up Python
         uses: actions/setup-python@v3
@@ -151,4 +156,4 @@ jobs:
           nox --session=coverage -- xml
 
       - name: Upload coverage report
-        uses: codecov/[email protected].0
+        uses: codecov/[email protected].4

.pre-commit-config.yaml

@@ -60,6 +60,7 @@ repos:
         language: system
         types: [text]
         stages: [commit, push, manual]
+
   - repo: https://github.com/pre-commit/mirrors-prettier
     rev: v2.6.0
     hooks:

CONTRIBUTING.md

@@ -11,7 +11,7 @@ Here is a list of important resources for contributors:
 - [Issue Tracker]
 - [Code of Conduct]
 
-[BSD 2-Clause license]: https://opensource.org/license/bsd-2-clause/
+[bsd 2-clause license]: https://opensource.org/license/bsd-2-clause/
 [source code]: https://github.com/piskunow/kpm-tools
 [documentation]: https://kpm-tools.readthedocs.io/
 [issue tracker]: https://github.com/piskunow/kpm-tools/issues
@@ -37,7 +37,7 @@ Request features on the [Issue Tracker].
 
 ## How to set up your development environment
 
-You need Python 3.7+ and the following tools:
+You need Python 3.9+ and the following tools:
 
 - [Poetry]
 - [Nox]

README.md

@@ -1,6 +1,7 @@
-<<<<<<< HEAD
 # kpm-tools
+
 =======
+
 # KPM Tools
 
 [![PyPI](https://img.shields.io/pypi/v/kpm-tools.svg)][pypi_]
@@ -51,7 +52,7 @@ To learn more, see the [Contributor Guide].
 
 ## License
 
-Distributed under the terms of the [MIT license][license],
+Distributed under the terms of the [BSD 2-Clause license][license],
 _KPM Tools_ is free and open source software.
 
 ## Issues
@@ -74,4 +75,3 @@ This project was generated from [@cjolowicz]'s [Hypermodern Python Cookiecutter]
 [license]: https://github.com/piskunow/kpm-tools/blob/main/LICENSE
 [contributor guide]: https://github.com/piskunow/kpm-tools/blob/main/CONTRIBUTING.md
 [command-line reference]: https://kpm-tools.readthedocs.io/en/latest/usage.html
->>>>>>> dccb53a (initial commit from hypermodern template)

codecov.yml

@@ -3,7 +3,7 @@ coverage:
   status:
     project:
       default:
-        target: "100"
+        target: "0"
     patch:
       default:
-        target: "100"
+        target: "0"

docs/conf.py

@@ -7,6 +7,32 @@
     "sphinx.ext.napoleon",
     "sphinx_click",
     "myst_parser",
+    "nbsphinx",
 ]
+nbsphinx_allow_errors = True
 autodoc_typehints = "description"
 html_theme = "furo"
+exclude_patterns = ["_build", "**.ipynb_checkpoints"]
+nbsphinx_prolog = r"""
+.. raw:: html
+
+    <div class="admonition tip">
+        <p class="admonition-title">Tip</p>
+        <p>Run this Jupyter Notebook locally:
+        <a id="downloadNotebookLink" href="javascript:void(0);" class="download-notebook-button" target="_blank" download>
+            Download Notebook
+        </a>
+        </p>
+    </div>
+
+    <script>
+    document.addEventListener('DOMContentLoaded', function() {
+        var currentPath = window.location.pathname;
+        var notebookName = currentPath.split('/').pop().replace('.html', '.ipynb');
+        var downloadLink = "{{ readthedocs_download_url | e }}" + notebookName;
+        document.getElementById('downloadNotebookLink').href = downloadLink;
+    });
+    </script>
+
+
+  """  # noqa: B950

docs/index.md

@@ -14,6 +14,7 @@ hidden:
 maxdepth: 1
 ---
 
+Tutorials <tutorials>
 usage
 reference
 contributing

docs/requirements.txt

@@ -1,4 +1,6 @@
-furo==2022.4.7
-sphinx==4.5.0
-sphinx-click==4.1.0
-myst_parser==0.17.2
+furo==2023.9.10
+sphinx==7.2.6
+sphinx-click==5.1.0
+myst_parser==2.0.0
+nbsphinx==0.9.3
+pandoc==2.3

docs/tutorials.md

@@ -0,0 +1,9 @@
+# 📘 Tutorials
+
+```{toctree}
+---
+maxdepth: 1
+---
+
+tutorials/tutorial_bloch
+```