Switch tooling to hatch

.github/workflows/docs.yml

@@ -1,12 +1,22 @@
 name: Docs
 
-on: [push, ]
+on:
+  push:
+    branches:
+      - master
+      - dev
+      - 'release-*'
+    tags:
+      - '*'
+  pull_request:
+    branches:
+      - master
 
 jobs:
 
   build_docs:
     name: Build Sphinx docs
-    runs-on: ubuntu-18.04
+    runs-on: ubuntu-22.04
     steps:
 
       - uses: actions/checkout@v2
@@ -16,14 +26,19 @@ jobs:
         with:
           python-version: 3.8
 
+      - name: Install zip-files
+        run: pip install zip-files
+
       - name: Install apt packages
         run: sudo apt-get install graphviz imagemagick pandoc pandoc-citeproc
 
-      - name: Install Tox and other Python package requirements
-        run: pip install tox zip-files
+      - name: Install Hatch
+        uses: pypa/hatch@install
+        with:
+          version: 1.11.1
 
       - name: Generate HTML Documentation
-        run: tox -c tox-pyenv.ini -e docs
+        run: hatch run docs:build
 
       - name: Get the version
         id: get_version
@@ -37,15 +52,15 @@ jobs:
         with:
           name: krotov-docs
           # We need at least two files in the artifact to avoid a weird
-          # double-zip file. Hence README.rst
+          # double-zip file. Hence README.md
           path: |
-            README.rst
+            README.md
             ./krotov-docs-${{ steps.get_version.outputs.VERSION }}.*
 
   deploy_gh_pages:
     name: Deploy documentation to gh-pages
     if: always() && needs.build_docs.result == 'success' && (github.ref == 'refs/heads/master' || startsWith(github.ref, 'refs/tags/'))
-    runs-on: ubuntu-18.04
+    runs-on: ubuntu-22.04
     needs: [build_docs]
     steps:
 
@@ -89,7 +104,6 @@ jobs:
       - name: Set download links
         if: startsWith(github.ref, 'refs/tags/v')
         run: |
-          echo "[pdf]: https://github.com/qucontrol/krotov/releases/download/${{ env.BRANCH_NAME }}/krotov-${{ env.BRANCH_NAME }}.pdf" > ./${{ env.BRANCH_NAME }}/_downloads
           echo "[html]: https://github.com/qucontrol/krotov/releases/download/${{ env.BRANCH_NAME }}/krotov-${{ env.BRANCH_NAME }}.zip" >> ./${{ env.BRANCH_NAME }}/_downloads
 
       - name: Remove artifact files

.github/workflows/test.yml

@@ -1,6 +1,16 @@
 name: Tests
 
-on: [push, pull_request]
+on:
+  push:
+    branches:
+      - master
+      - dev
+      - 'release-*'
+    tags:
+      - '*'
+  pull_request:
+    branches:
+      - master
 
 
 jobs:
@@ -9,84 +19,78 @@ jobs:
     name:  ${{ matrix.title }} (Python ${{ matrix.python }} on ${{ matrix.os }})
     runs-on: ${{ matrix.os }}
     env:
-      tox: tox -c tox-pyenv.ini
       default_tests: src tests README.rst docs/*.rst
     strategy:
       fail-fast: false
       matrix:
         include:
           - title: Codestyle and Main Tests
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
             commands: |
-              $tox -e run-blackcheck,run-isortcheck
-              $tox -e py38-test -- $default_tests
+              hatch run lint:black-check
+              hatch run lint:isort-check
+              hatch run cov -- $default_tests
             coverage: true
           - title: Oldest supported Python
-            os: ubuntu-18.04
-            python: 3.6
-            commands: $tox -e py36-test -- $default_tests
+            os: ubuntu-22.04
+            python: 3.7
+            commands: hatch -e py37 run test -- $default_tests
             coverage: false
-          - title: QuTiP master
-            os: ubuntu-18.04
-            python: 3.8
-            commands: $tox -e py38qtm-test --  $default_tests
-            continue-on-error: true  # experimental
-            coverage: false
-          - title: Windows / Conda
+          - title: Windows
             os: windows-latest
-            python: 3.6
-            commands: tox -c tox-conda.ini -e py36-test -- src tests README.rst docs\notebooks\01_example_simple_state_to_state.ipynb docs\notebooks\05_example_transmon_xgate.ipynb
+            python: 3.8
+            commands: hatch run test --  src tests README.rst docs\notebooks\01_example_simple_state_to_state.ipynb docs\notebooks\05_example_transmon_xgate.ipynb
             coverage: false
           - title: MacOS
             os: macos-latest
             python: 3.8
-            commands: $tox -e py38-test -- $default_tests  docs/notebooks/01_example_simple_state_to_state.ipynb
+            commands: hatch run cov --  $default_tests  docs/notebooks/01_example_simple_state_to_state.ipynb
             coverage: true
           - title: Notebook 1 (State-to-State)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/01_example_simple_state_to_state.ipynb
+            commands: hatch run cov --  docs/notebooks/01_example_simple_state_to_state.ipynb
             coverage: true
           - title: Notebook 2 (RWA)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/02_example_lambda_system_rwa_complex_pulse.ipynb
+            commands: hatch run cov --  docs/notebooks/02_example_lambda_system_rwa_complex_pulse.ipynb
             coverage: true
           - title: Notebook 3 (Non-Hermitian)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/03_example_lambda_system_rwa_non_hermitian.ipynb
+            commands: hatch run cov --  docs/notebooks/03_example_lambda_system_rwa_non_hermitian.ipynb
             coverage: true
           - title: Notebook 4 (Density Matrix)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/04_example_dissipative_qubit_reset.ipynb
+            commands: hatch run cov -- docs/notebooks/04_example_dissipative_qubit_reset.ipynb
             coverage: true
           - title: Notebook 5 (Quantum Gate)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/05_example_transmon_xgate.ipynb
+            commands: hatch run cov -- docs/notebooks/05_example_transmon_xgate.ipynb
             coverage: true
           - title: Notebook 6 (3 States)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/06_example_3states.ipynb
+            commands: hatch run cov -- docs/notebooks/06_example_3states.ipynb
             coverage: true
           - title: Notebook 7 (Perfect Entanglers)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/07_example_PE.ipynb
+            commands: hatch run cov -- docs/notebooks/07_example_PE.ipynb
             coverage: true
           - title: Notebook 8 (Ensemble Optimization)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/08_example_ensemble.ipynb
+            commands: hatch run cov -- docs/notebooks/08_example_ensemble.ipynb
             coverage: true
           - title: Notebook 9 (NumPy)
-            os: ubuntu-18.04
+            os: ubuntu-22.04
             python: 3.8
-            commands: $tox -e py38-test -- docs/notebooks/09_example_numpy.ipynb
+            commands: hatch run cov -- docs/notebooks/09_example_numpy.ipynb
             coverage: true
     steps:
       - uses: actions/checkout@v2
@@ -100,15 +104,10 @@ jobs:
         if: runner.os == 'Linux'
         run: sudo apt-get install pandoc pandoc-citeproc liblapack-dev libblas-dev gfortran
 
-      - name: Install miniconda
-        if: runner.os == 'Windows'
-        uses: conda-incubator/setup-miniconda@v2
+      - name: Install Hatch
+        uses: pypa/hatch@install
         with:
-          auto-update-conda: true
-          python-version: ${{ matrix.python }}
-
-      - name: Install Tox
-        run: pip install tox
+          version: 1.11.1
 
       - name: Run Commands
         run: ${{ matrix.commands }}
@@ -117,10 +116,10 @@ jobs:
         if: matrix.coverage == true
         shell: bash
         run: |
-          runenv=$(echo "${{ matrix.python }}" | sed 's/\([2-3]\)\.\([0-9]\)/py\1\2-runcmd/')
-          $tox -e $runenv -- python -m coverage xml
+          hatch run -- python -m coverage xml
 
-      - uses: codecov/codecov-action@v1
+      - name: Upload coverage to Codecov
         if: matrix.coverage == true
-        with:
-          verbose: false
+        uses: codecov/codecov-action@v4
+        env:
+          CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

.pre-commit-config.yaml

@@ -15,11 +15,11 @@ repos:
         language: script
     -   id: black
         name: black
-        entry: ./scripts/pre-commit.py black
+        entry: hatch run lint:black-check --
         types: [python]
-        language: script
+        language: system
     -   id: isort
         name: isort
-        entry: ./scripts/pre-commit.py isort
+        entry: hatch run lint:isort-check --
         types: [python]
-        language: script
+        language: system

.pylintrc

@@ -88,7 +88,8 @@ disable=invalid-name,
     no-else-return,
     ungrouped-imports,
     unnecessary-lambda,
-
+    non-ascii-name,
+
 
 # Enable the message, report, category or checker with the given id(s). You can
 # either give multiple identifier separated by comma (,) or put this option