quant-met 0.0.26__tar.gz → 0.1.0__tar.gz

{quant_met-0.0.26 → quant_met-0.1.0}/.coveragerc

@@ -1,7 +1,3 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
-
 [paths]
 source =
    src

quant_met-0.1.0/.github/codspeed.yml

@@ -0,0 +1,35 @@
+
+
+name: Codspeed
+
+on:
+  pull_request:
+  push:
+    branches:
+      - 'main'
+
+permissions:
+  pull-requests: write
+
+env:
+  NUMBA_DISABLE_JIT: 0
+
+jobs:
+  test:
+    name: Codspeed
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - uses: actions/checkout@v4
+      - name: Install uv
+        uses: astral-sh/setup-uv@v6
+      - name: Install the project
+        run: uv sync --group=test
+      - uses: extractions/setup-just@v3
+      - name: Run benchmarks
+        uses: CodSpeedHQ/action@v3
+        with:
+          token: ${{ secrets.CODSPEED_TOKEN }}
+          run: just test --codspeed

{quant_met-0.0.26 → quant_met-0.1.0}/.github/dependabot.yml

@@ -1,6 +1,4 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
+
 
 # Set update schedule for GitHub Actions
 version: 2

{quant_met-0.0.26 → quant_met-0.1.0}/.github/workflows/check_version.yml

@@ -1,6 +1,4 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
+
 
 name: Check version
 

quant_met-0.1.0/.github/workflows/integration_tests.yml

@@ -0,0 +1,34 @@
+
+
+name: Integration tests
+
+on:
+  workflow_call:
+  pull_request:
+  push:
+    branches:
+      - 'main'
+
+permissions:
+  pull-requests: write
+
+env:
+  NUMBA_DISABLE_JIT: 1
+
+jobs:
+  test:
+    name: Integration tests
+    if: ${{ contains(github.event.head_commit.message, 'needs-integration') || github.ref == 'refs/heads/main' || startsWith(github.ref, 'refs/tags/') }}
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - uses: actions/checkout@v4
+      - name: Install uv
+        uses: astral-sh/setup-uv@v6
+      - name: Install the project
+        run: uv sync --group=test
+      - uses: extractions/setup-just@v3
+      - name: Run test suite
+        run: just test --with-slow-integration

quant_met-0.1.0/.github/workflows/linting.yml

@@ -0,0 +1,33 @@
+
+
+name: Linting
+
+on:
+  workflow_call:
+  pull_request:
+  push:
+    branches:
+      - 'main'
+
+permissions:
+  pull-requests: write
+
+jobs:
+  test:
+    name: Linting
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - name: Set up Python 3.12
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+      - name: Install uv
+        uses: astral-sh/setup-uv@v6
+      - name: Install the project
+        run: uv sync --group=lint
+      - uses: extractions/setup-just@v3
+      - name: Run test suite
+        run: just lint

{quant_met-0.0.26 → quant_met-0.1.0}/.github/workflows/publish.yml

@@ -1,6 +1,4 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
+
 
 name: Publish python package
 
@@ -16,13 +14,13 @@ jobs:
   tests:
     uses: ./.github/workflows/integration_tests.yml
   build:
-    #needs: [tests]
+    needs: [tests]
     runs-on: ubuntu-latest
     permissions:
       id-token: write
     steps:
       - uses: actions/checkout@v4
       - name: Install uv
-        uses: astral-sh/setup-uv@v5
+        uses: astral-sh/setup-uv@v6
       - name: Build and publish to pypi
         run: uv build && uv publish

quant_met-0.1.0/.github/workflows/typing.yml

@@ -0,0 +1,33 @@
+
+
+name: Type checking
+
+on:
+  workflow_call:
+  pull_request:
+  push:
+    branches:
+      - 'main'
+
+permissions:
+  pull-requests: write
+
+jobs:
+  test:
+    name: Type checking
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - name: Set up Python 3.12
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+      - name: Install uv
+        uses: astral-sh/setup-uv@v6
+      - name: Install the project
+        run: uv sync --group=type
+      - uses: extractions/setup-just@v3
+      - name: Run test suite
+        run: just type

quant_met-0.1.0/.github/workflows/unit_tests.yml

@@ -0,0 +1,53 @@
+
+
+name: Unit tests
+
+on:
+  workflow_call:
+  pull_request:
+  push:
+    branches:
+      - 'main'
+
+permissions:
+  pull-requests: write
+
+env:
+  NUMBA_DISABLE_JIT: 1
+
+jobs:
+  test:
+    name: Unit tests
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: [ "3.11", "3.12", "3.13" ]
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - name: Install uv
+        uses: astral-sh/setup-uv@v6
+        with:
+          python-version: ${{ matrix.python-version }}
+          enable-cache: true
+      - name: Install the project
+        run: uv sync --group=test
+      - uses: extractions/setup-just@v3
+      - name: Run test suite
+        run: just test --without-slow-integration
+      - name: Coveralls
+        uses: coverallsapp/github-action@v2
+        with:
+          parallel: true
+          flag-name: python-${{ matrix.python-version }}
+
+  finish:
+    needs: test
+    runs-on: ubuntu-latest
+    steps:
+      - name: Close parallel build
+        uses: coverallsapp/github-action@v2
+        with:
+          parallel-finished: true
+          carryforward: "python-3.10,python-3.11,python-3.12,python-3.13"

{quant_met-0.0.26 → quant_met-0.1.0}/.gitignore

@@ -1,7 +1,3 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
-
 .idea/
 .coverage
 coverage.xml
@@ -9,6 +5,7 @@ report.xml
 .tox/
 **/__pycache__/
 docs/build
+.codspeed/
 .hypothesis/
 result_images/
 **/.DS_Store

quant_met-0.1.0/.pre-commit-config.yaml

@@ -0,0 +1,15 @@
+
+
+repos:
+- repo: https://github.com/pre-commit/pre-commit-hooks
+  rev: v5.0.0
+  hooks:
+    - id: check-toml
+    - id: check-yaml
+    - id: end-of-file-fixer
+    - id: trailing-whitespace
+- repo: https://github.com/pre-commit/pre-commit-hooks
+  rev: v5.0.0
+  hooks:
+  - id: no-commit-to-branch
+    args: [ --branch, main ]

{quant_met-0.0.26 → quant_met-0.1.0}/.readthedocs.yaml

@@ -1,6 +1,4 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
+
 
 # .readthedocs.yaml
 # Read the Docs configuration file
@@ -29,5 +27,7 @@ sphinx:
 # to build your documentation
 # See https://docs.readthedocs.io/en/stable/guides/reproducible-builds.html
 python:
-    install:
+  install:
     - requirements: docs/requirements.txt
+    - method: pip
+      path: .

quant_met-0.1.0/.vscode/settings.json

@@ -0,0 +1,8 @@
+{
+    "python.testing.pytestArgs": [
+        "tests"
+    ],
+    "python.testing.unittestEnabled": false,
+    "python.testing.pytestEnabled": true,
+    "python.analysis.typeCheckingMode": "standard"
+}

{quant_met-0.0.26 → quant_met-0.1.0}/CHANGELOG.rst

@@ -1,6 +1,18 @@
-.. SPDX-FileCopyrightText: 2024 Tjark Sievers
-..
-.. SPDX-License-Identifier: MIT
+
+.. _changelog-0.1.0:
+
+0.1.0 — 2025-07-27
+------------------
+
+Added
+^^^^^
+
+- Routines to loop over finite momenta and analyse the resulting data
+
+Changed
+^^^^^^^
+
+- Switch whole architecture to use sisl as a basis for tight binding Hamiltonians
 
 
 .. _changelog-0.0.25:

quant_met-0.1.0/Makefile

@@ -0,0 +1,25 @@
+
+
+SHELL:=/bin/bash
+
+# Variables to test the conda environment
+ifeq (,$(shell which uv))
+	HAS_UV=False
+else
+	HAS_UV=True
+endif
+
+.PHONY: help
+help: # Show help for each of the Makefile recipes.
+	@grep -E '^[a-zA-Z0-9 -]+:.*#'  Makefile | sort | while read -r l; do printf "\033[1;32m$$(echo $$l | cut -f 1 -d':')\033[00m:$$(echo $$l | cut -f 2- -d'#')\n"; done
+
+
+environment: # Install the development environment.
+ifeq (True,$(HAS_UV))
+	@echo ">>> Detected uv."
+	uv sync --all-groups
+	uv run pre-commit install
+else
+	@echo ">>> Install uv first."
+	exit
+endif

{quant_met-0.0.26 → quant_met-0.1.0}/PKG-INFO

@@ -1,35 +1,31 @@
 Metadata-Version: 2.4
 Name: quant-met
-Version: 0.0.26
+Version: 0.1.0
 Summary: Calculate superconductivity in flat-band systems.
-Author-email: Tjark Sievers <tsievers@physnet.uni-hamburg.de>
+Author-email: Tjark Sievers <tjarksievers@icloud.com>
 License-File: LICENSE.txt
 Requires-Python: >=3.11
 Requires-Dist: click>=8.1.8
 Requires-Dist: h5py>=3.12.1
 Requires-Dist: matplotlib>=3.10.0
-Requires-Dist: numba>=0.60.0
-Requires-Dist: numpy<2.1
-Requires-Dist: numpydantic>=1.6.6
+Requires-Dist: numba>=0.61.0
+Requires-Dist: numpy>=2.1
+Requires-Dist: numpydantic>=1.6.8
 Requires-Dist: pandas>=2.2.3
 Requires-Dist: pydantic>=2.10.4
 Requires-Dist: pyyaml>=6.0.2
 Requires-Dist: scipy>=1.15.0
+Requires-Dist: sisl[viz]>0.16.0
 Requires-Dist: tables>=3.10.2
+Requires-Dist: tbmodels>=1.4.3
 Description-Content-Type: text/markdown
 
-<!--
-SPDX-FileCopyrightText: 2024 Tjark Sievers
-
-SPDX-License-Identifier: MIT
--->
 
 # quant-met
 
 [![DOI](https://zenodo.org/badge/800628635.svg)](https://zenodo.org/badge/latestdoi/800628635)
 [![Test](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml/badge.svg)](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml)
 [![Coverage Status](https://coveralls.io/repos/github/Ruberhauptmann/quant-met/badge.svg?branch=main)](https://coveralls.io/github/Ruberhauptmann/quant-met?branch=main)
-[![PyPI - Python Version](https://img.shields.io/pypi/pyversions/quant-met)](https://pypi.org/project/quant-met/)
 [![PyPI - Version](https://img.shields.io/pypi/v/quant-met)](https://pypi.org/project/quant-met/)
 
 quant-met is a python package to treat superconductivity in flat-band systems.

{quant_met-0.0.26 → quant_met-0.1.0}/README.md

@@ -1,15 +1,9 @@
-<!--
-SPDX-FileCopyrightText: 2024 Tjark Sievers
-
-SPDX-License-Identifier: MIT
--->
 
 # quant-met
 
 [![DOI](https://zenodo.org/badge/800628635.svg)](https://zenodo.org/badge/latestdoi/800628635)
 [![Test](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml/badge.svg)](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml)
 [![Coverage Status](https://coveralls.io/repos/github/Ruberhauptmann/quant-met/badge.svg?branch=main)](https://coveralls.io/github/Ruberhauptmann/quant-met?branch=main)
-[![PyPI - Python Version](https://img.shields.io/pypi/pyversions/quant-met)](https://pypi.org/project/quant-met/)
 [![PyPI - Version](https://img.shields.io/pypi/v/quant-met)](https://pypi.org/project/quant-met/)
 
 quant-met is a python package to treat superconductivity in flat-band systems.

quant_met-0.1.0/changelog.d/scriv.ini

@@ -0,0 +1,2 @@
+[scriv]
+rst_header_chars = -^

{quant_met-0.0.26 → quant_met-0.1.0}/check_version.sh

@@ -1,8 +1,6 @@
 #!/bin/bash
 
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
+
 
 set -e
 

{quant_met-0.0.26 → quant_met-0.1.0}/docs/Makefile

@@ -1,6 +1,4 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
+
 
 # Minimal makefile for Sphinx documentation
 #

{quant_met-0.0.26 → quant_met-0.1.0}/docs/make.bat

@@ -1,7 +1,3 @@
-REM SPDX-FileCopyrightText: 2024 Tjark Sievers
-REM
-REM SPDX-License-Identifier: MIT
-
 @ECHO OFF
 
 pushd %~dp0

{quant_met-0.0.26 → quant_met-0.1.0}/docs/requirements.txt

@@ -1,9 +1,4 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
-
--e .
-sphinx>=6.1.3
+sphinx>=8.2
 pydata-sphinx-theme>=0.15.4
 myst-parser>=3.0.1
 nbsphinx>=0.9.4

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/_static/custom.css

@@ -1,9 +1,3 @@
-/*
- * SPDX-FileCopyrightText: 2024 Tjark Sievers
- *
- * SPDX-License-Identifier: MIT
- */
-
 /* Wrap long titles in pages */
 h1 {
     word-wrap: break-word;

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/_templates/autosummary/attribute.rst

@@ -1,6 +1,4 @@
-.. SPDX-FileCopyrightText: 2024 Tjark Sievers
-..
-.. SPDX-License-Identifier: MIT
+
 
 :orphan:
 

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/_templates/autosummary/class.rst

@@ -1,7 +1,3 @@
-.. SPDX-FileCopyrightText: 2024 Tjark Sievers
-..
-.. SPDX-License-Identifier: MIT
-
 .. raw:: html
 
    <div class="prename">{{ module }}.</div>

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/_templates/autosummary/function.rst

@@ -1,6 +1,4 @@
-.. SPDX-FileCopyrightText: 2024 Tjark Sievers
-..
-.. SPDX-License-Identifier: MIT
+
 
 .. raw:: html
 

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/_templates/autosummary/method.rst

@@ -1,6 +1,4 @@
-.. SPDX-FileCopyrightText: 2024 Tjark Sievers
-..
-.. SPDX-License-Identifier: MIT
+
 
 :orphan:
 

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/_templates/autosummary/module.rst

@@ -1,6 +1,4 @@
-.. SPDX-FileCopyrightText: 2024 Tjark Sievers
-..
-.. SPDX-License-Identifier: MIT
+
 
 :orphan:
 

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/_templates/autosummary/property.rst

@@ -1,6 +1,4 @@
-.. SPDX-FileCopyrightText: 2024 Tjark Sievers
-..
-.. SPDX-License-Identifier: MIT
+
 
 :orphan:
 

quant_met-0.1.0/docs/source/changelog.rst

@@ -0,0 +1,6 @@
+
+
+Changelog
+=========
+
+.. include:: ../../CHANGELOG.rst

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/conf.py

@@ -1,6 +1,4 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
+
 
 # Configuration file for the Sphinx documentation builder.
 #
@@ -13,9 +11,11 @@
 
 import importlib.metadata
 import os
+import sys
+sys.path.insert(0, os.path.abspath('../../src/'))
 
 project = "quant-met"
-copyright = "2024, Tjark Sievers"
+copyright = "2025, Tjark Sievers"
 author = "Tjark Sievers"
 language = "en"
 
@@ -35,6 +35,7 @@ extensions = [
     "sphinx_design",
     "sphinxcontrib.autodoc_pydantic"
 ]
+extensions.remove("sphinxcontrib.autodoc_pydantic")
 
 intersphinx_mapping = {
     "h5py": ("https://docs.h5py.org/en/latest/", None),
@@ -65,9 +66,6 @@ if not version_match or version_match.isdigit() or version_match == "latest":
 elif version_match == "stable":
     version_match = f"{release}"
 
-print(version_match)
-print(json_url)
-
 html_theme_options = {
     "github_url": "https://github.com/Ruberhauptmann/quant-met",
     "logo": {

{quant_met-0.0.26 → quant_met-0.1.0}/docs/source/development.rst

@@ -1,7 +1,3 @@
-.. SPDX-FileCopyrightText: 2024 Tjark Sievers
-..
-.. SPDX-License-Identifier: MIT
-
 Development
 ===========
 
@@ -13,26 +9,21 @@ This should help you get set up to start this.
 
 Prerequisites:
 
-* make
 * python
-* conda
+* just
+* uv
 
 Set up the development environment:
 
 * clone the repository
-* run ``make environment``
-* now activate the conda environment ``conda activate quant-met-dev``
+* run ``just environment``
 
-You can manually run tests using for example ``tox -e py312`` (for running against python 3.12).
+You can manually run tests using for example ``just test``.
 After pushing your branch, all tests will also be run via Github Actions.
 
 Using ``pre-commit``, automatic linting and formatting is done before every commit, which may cause the first commit to fail.
 A second try should then succeed.
 
-To fix the reuse copyright::
-
-  reuse annotate --license=MIT --copyright="Tjark Sievers" --skip-unrecognised -r .
-
 After you are done working on an issue and all tests are running successful, you can add a new piece of changelog via ``scriv create`` and make a pull request.
 
 Release Walkthrough
@@ -51,9 +42,9 @@ Where ``x.x.x`` is the version number for the upcoming release.
 2. Make sure all tests pass
 +++++++++++++++++++++++++++
 
-Run all tests via::
+Run all tests, linting and typechecking via::
 
-    tox
+    just
 
 
 3. Collect changelog
@@ -73,7 +64,7 @@ This needs to be changed in ``docs/source/extra/versions.json``.
 5. Bump version
 +++++++++++++++
 
-In ``pyproject.toml``, then lock the new version via ``poetry lock``.
+In ``pyproject.toml``, then lock the new version via ``uv lock``.
 
 6. Prepare Github release
 +++++++++++++++++++++++++