quant-met 0.0.25__tar.gz → 0.0.27__tar.gz

{quant_met-0.0.25 → quant_met-0.0.27}/.coveragerc

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/.github/dependabot.yml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/.github/workflows/check_version.yml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

quant_met-0.0.27/.github/workflows/codspeed.yml

@@ -0,0 +1,38 @@
+# SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
+#
+# SPDX-License-Identifier: MIT
+
+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@v5
+      - 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-0.0.25 → quant_met-0.0.27}/.github/workflows/integration_tests.yml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 
@@ -14,26 +15,23 @@ on:
 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
-    defaults:
-      run:
-        shell: bash -el {0}
     steps:
       - uses: actions/checkout@v4
         with:
           fetch-depth: 0
       - uses: actions/checkout@v4
-      - uses: conda-incubator/setup-miniconda@v3
-        with:
-          activate-environment: quant-met-dev
-          environment-file: environment.yml
-          python-version: 3.12
-          auto-activate-base: false
-      - run: git clone https://github.com/krivenko/edipack2triqs.git && cd edipack2triqs && pip install .
-      - run: pip install .
+      - name: Install uv
+        uses: astral-sh/setup-uv@v5
+      - name: Install the project
+        run: uv sync --group=test
+      - uses: extractions/setup-just@v3
       - name: Run test suite
-        run: uv tool run tox -e py312 -- --with-slow-integration
+        run: just test --with-slow-integration

quant_met-0.0.27/.github/workflows/linting.yml

@@ -0,0 +1,36 @@
+# SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
+#
+# SPDX-License-Identifier: MIT
+
+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@v5
+      - name: Install the project
+        run: uv sync --group=lint
+      - uses: extractions/setup-just@v3
+      - name: Run test suite
+        run: just lint

{quant_met-0.0.25 → quant_met-0.0.27}/.github/workflows/publish.yml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

quant_met-0.0.27/.github/workflows/typing.yml

@@ -0,0 +1,36 @@
+# SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
+#
+# SPDX-License-Identifier: MIT
+
+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@v5
+      - name: Install the project
+        run: uv sync --group=type
+      - uses: extractions/setup-just@v3
+      - name: Run test suite
+        run: just type

quant_met-0.0.27/.github/workflows/unit_tests.yml

@@ -0,0 +1,56 @@
+# SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
+#
+# SPDX-License-Identifier: MIT
+
+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@v5
+        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-0.0.25 → quant_met-0.0.27}/.gitignore

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 
@@ -9,6 +10,7 @@ report.xml
 .tox/
 **/__pycache__/
 docs/build
+.codspeed/
 .hypothesis/
 result_images/
 **/.DS_Store

{quant_met-0.0.25 → quant_met-0.0.27}/.pre-commit-config.yaml

@@ -1,19 +1,16 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 
 repos:
 - repo: https://github.com/pre-commit/pre-commit-hooks
-  rev: v4.6.0
+  rev: v5.0.0
   hooks:
     - id: check-toml
     - id: check-yaml
     - id: end-of-file-fixer
     - id: trailing-whitespace
-- repo: https://github.com/fsfe/reuse-tool
-  rev: v4.0.3
-  hooks:
-    - id: reuse
 - repo: https://github.com/astral-sh/ruff-pre-commit
   # Ruff version.
   rev: v0.5.0
@@ -26,7 +23,7 @@ repos:
     - id: ruff-format
       types_or: [ python, pyi, jupyter ]
 - repo: https://github.com/pre-commit/pre-commit-hooks
-  rev: v4.6.0
+  rev: v5.0.0
   hooks:
   - id: no-commit-to-branch
     args: [ --branch, main ]

{quant_met-0.0.25 → quant_met-0.0.27}/.readthedocs.yaml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 
@@ -29,5 +30,7 @@ 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-0.0.25 → quant_met-0.0.27}/CHANGELOG.rst

@@ -1,8 +1,8 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 
-
 .. _changelog-0.0.25:
 
 0.0.25 — 2025-03-21

quant_met-0.0.27/Makefile

@@ -0,0 +1,28 @@
+# SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
+#
+# SPDX-License-Identifier: MIT
+
+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-0.0.25 → quant_met-0.0.27}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: quant-met
-Version: 0.0.25
+Version: 0.0.27
 Summary: Calculate superconductivity in flat-band systems.
 Author-email: Tjark Sievers <tsievers@physnet.uni-hamburg.de>
 License-File: LICENSE.txt
@@ -8,11 +8,12 @@ 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: numba>=0.61.0
+Requires-Dist: numpy>=2.1
 Requires-Dist: numpydantic>=1.6.6
 Requires-Dist: pandas>=2.2.3
 Requires-Dist: pydantic>=2.10.4
+Requires-Dist: pythtb>=1.8.0
 Requires-Dist: pyyaml>=6.0.2
 Requires-Dist: scipy>=1.15.0
 Requires-Dist: tables>=3.10.2
@@ -20,6 +21,7 @@ Description-Content-Type: text/markdown
 
 <!--
 SPDX-FileCopyrightText: 2024 Tjark Sievers
+SPDX-FileCopyrightText: 2025 Tjark Sievers
 
 SPDX-License-Identifier: MIT
 -->

{quant_met-0.0.25 → quant_met-0.0.27}/README.md

@@ -1,5 +1,6 @@
 <!--
 SPDX-FileCopyrightText: 2024 Tjark Sievers
+SPDX-FileCopyrightText: 2025 Tjark Sievers
 
 SPDX-License-Identifier: MIT
 -->

{quant_met-0.0.25 → quant_met-0.0.27}/changelog.d/scriv.ini

@@ -1,4 +1,5 @@
 ; SPDX-FileCopyrightText: 2024 Tjark Sievers
+; SPDX-FileCopyrightText: 2025 Tjark Sievers
 ;
 ; SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/check_version.sh

@@ -1,6 +1,7 @@
 #!/bin/bash
 
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/Makefile

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/make.bat

@@ -1,4 +1,5 @@
 REM SPDX-FileCopyrightText: 2024 Tjark Sievers
+REM SPDX-FileCopyrightText: 2025 Tjark Sievers
 REM
 REM SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/requirements.txt

@@ -1,9 +1,8 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 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-0.0.25 → quant_met-0.0.27}/docs/source/_static/custom.css

@@ -1,5 +1,6 @@
 /*
  * SPDX-FileCopyrightText: 2024 Tjark Sievers
+ * SPDX-FileCopyrightText: 2025 Tjark Sievers
  *
  * SPDX-License-Identifier: MIT
  */

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/_templates/autosummary/attribute.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

quant_met-0.0.27/docs/source/_templates/autosummary/class.rst

@@ -0,0 +1,19 @@
+.. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
+..
+.. SPDX-License-Identifier: MIT
+
+.. raw:: html
+
+   <div class="prename">{{ module }}.</div>
+   <div class="empty"></div>
+
+{{ name }}
+{{ underline }}
+
+.. currentmodule:: {{ module }}
+
+.. autoclass:: {{ objname }}
+   :no-members:
+   :no-inherited-members:
+   :no-special-members:

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/_templates/autosummary/function.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/_templates/autosummary/method.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/_templates/autosummary/module.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/_templates/autosummary/property.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/_templates/autosummary/pydantic.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/changelog.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/conf.py

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 
@@ -13,9 +14,11 @@
 
 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"
 
@@ -65,9 +68,6 @@ 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-0.0.25 → quant_met-0.0.27}/docs/source/development.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/example_input_T_C.yaml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/example_input_T_C_one_band.yaml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/example_input_dmft.yaml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/example_input_scf.yaml

@@ -1,4 +1,5 @@
 # SPDX-FileCopyrightText: 2024 Tjark Sievers
+# SPDX-FileCopyrightText: 2025 Tjark Sievers
 #
 # SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/examples/band_structures.ipynb

@@ -7,23 +7,24 @@
    "source": "# Band structure calculations"
   },
   {
-   "metadata": {},
    "cell_type": "code",
-   "outputs": [],
    "execution_count": null,
+   "id": "b22b860fe454346",
+   "metadata": {},
+   "outputs": [],
    "source": [
     "import matplotlib as mpl\n",
     "import matplotlib.pyplot as plt\n",
     "import numpy as np\n",
     "from quant_met import geometry, mean_field, parameters, plotting"
-   ],
-   "id": "b22b860fe454346"
+   ]
   },
   {
-   "metadata": {},
    "cell_type": "code",
-   "outputs": [],
    "execution_count": null,
+   "id": "f85888e34d3c736f",
+   "metadata": {},
+   "outputs": [],
    "source": [
     "mpl.style.use(\"default\")\n",
     "\n",
@@ -34,14 +35,14 @@
     "band_path, band_path_plot, ticks, labels = graphene_lattice.generate_high_symmetry_path(\n",
     "    number_of_points=n\n",
     ")"
-   ],
-   "id": "f85888e34d3c736f"
+   ]
   },
   {
-   "metadata": {},
    "cell_type": "code",
-   "outputs": [],
    "execution_count": null,
+   "id": "be9baaf277e035e0",
+   "metadata": {},
+   "outputs": [],
    "source": [
     "V_list = [0, 0.5, 1.4, 3]\n",
     "\n",
@@ -81,8 +82,7 @@
     "    ax.tick_params(axis=\"x\", labelsize=20)\n",
     "\n",
     "fig.savefig(\"EG-X bands.pdf\", bbox_inches=\"tight\")"
-   ],
-   "id": "be9baaf277e035e0"
+   ]
   },
   {
    "cell_type": "code",

quant_met-0.0.27/docs/source/extra/versions.json

@@ -0,0 +1,22 @@
+[
+    {
+        "version": "dev",
+        "url": "https://quant-met.tjarksievers.de/en/latest/"
+    },
+    {
+        "name": "0.0.27 (stable)",
+        "version": "0.0.27",
+        "url": "https://quant-met.tjarksievers.de/en/stable/",
+        "preferred": true
+    },
+    {
+        "name": "0.0.20",
+        "version": "0.0.20",
+        "url": "https://quant-met.tjarksievers.de/en/0.0.20/"
+    },
+    {
+        "name": "0.0.10",
+        "version": "0.0.10",
+        "url": "https://quant-met.tjarksievers.de/en/0.0.10/"
+    }
+]

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/index.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT
 

{quant_met-0.0.25 → quant_met-0.0.27}/docs/source/reference/cli.rst

@@ -1,4 +1,5 @@
 .. SPDX-FileCopyrightText: 2024 Tjark Sievers
+.. SPDX-FileCopyrightText: 2025 Tjark Sievers
 ..
 .. SPDX-License-Identifier: MIT