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
@@ -45,7 +60,7 @@ jobs:
   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

CONTRIBUTING.rst

@@ -72,7 +72,7 @@ In short, if you are not a member of the `qucontrol organization`_,
 7. Push changes to the topic branch on *your* remote.
 8. Make a pull request against the base master branch through the Github website of your fork.
 
-The project uses tox_ for automated testing accross multiple versions of Python
+The project uses hatch_ for automated testing accross multiple versions of Python
 and for various development tasks such as linting and generating the
 documentation. See :ref:`DevelopmentPrerequisites` for details.
 
@@ -103,7 +103,7 @@ in order to set up the ``tox.ini`` configuration file.
 If you are a member of the `qucontrol organization`_, there is no need to fork
 ``krotov`` - you can directly pull and push to ``git@github.com:qucontrol/krotov.git``.
 
-.. _tox: https://tox.readthedocs.io
+.. _hatch: https://hatch.pypa.io/latest/
 
 .. _Aaron Meurer's Git Workflow Notes:  https://www.asmeurer.com/git-workflow/
 
@@ -117,33 +117,13 @@ Development Prerequisites
 -------------------------
 
 Contributing to the package's developments requires that you have Python 3.8
-and tox_ installed. It is strongly recommended that you also have installations
-of all other supported Python versions. The recommended way to install multiple
-versions of Python at the same time is through pyenv_ (or pyenv-win_ on
-Windows).
-
-Alternatively, you may install conda_ (via the Anaconda_ or Miniconda_
-distributions, or also through pyenv_). As ``conda`` can create environments
-with any version of Python (independent of which Python version ``conda`` was
-originally installed with), this alleviates the need for managing multiple
-versions.
-The advantage of using conda_ is that you may be able to avoid installing the
-compilers necessary for Python extension packages. The disadvantage is that
-environment creation is slower and the resulting environments are bigger, and
-that you may run into occasional binary incompatibilities between conda packages.
-
-.. warning::
-   If you want to use `conda`, you must use the ``tox-conda.ini`` configuration
-   file. That is, run all ``make`` comands as e.g.
-   ``make TOXINI=tox-conda.ini test`` and ``tox`` commands as e.g.
-   ``tox -c tox-conda.ini -e py38-test``. Alternatively,
-   make ``tox-conda.ini`` the default by copying it to ``tox.ini``.
+and hatch_ installed (tested with Hatch 1.11). It is strongly recommended that
+you also have installations of all other supported Python versions. The
+recommended way to install multiple versions of Python at the same time is
+through pyenv_ (or pyenv-win_ on Windows).
 
 .. _pyenv: https://github.com/pyenv/pyenv
 .. _pyenv-win: https://github.com/pyenv-win/pyenv-win
-.. _conda: https://conda.io/docs/
-.. _Anaconda: https://www.anaconda.com/distribution/
-.. _Miniconda: https://conda.io/en/latest/miniconda.html
 .. _QuTiP: http://qutip.org
 
 
@@ -264,7 +244,7 @@ to run the entire test suite, or
 
 .. code-block:: shell
 
-    tox -e py38-test
+    hatch run test
 
 if ``make`` is not available.
 
@@ -292,16 +272,16 @@ readability significantly.
 
 Beyond :pep:`8`, this project adopts the `Black code style`_, with
 ``--skip-string-normalization --line-length 79``. You can
-run ``make black-check`` or ``tox -e run-blackcheck`` to check adherence to the
-code style, and ``make black`` or ``tox -e run-black`` to apply it.
+run ``make black-check`` or ``hatch run lint:black-check`` to check adherence to the
+code style, and ``make black`` or ``hatch run lint:black`` to apply it.
 
 .. _Black code style: https://github.com/ambv/black/#the-black-code-style
 
 Imports within python modules must be sorted according to the isort_
-configuration in ``setup.cfg``. The command ``make isort-check`` or ``tox -e
-run-isortcheck`` checks whether all imports are sorted correctly, and ``make
-isort`` or ``tox -e run-isort`` modifies all Python modules in-place with the
-proper sorting.
+configuration in ``pyproject.toml``. The command ``make isort-check`` or
+``hatch run lint:isort-check`` checks whether all imports are sorted correctly,
+and ``make isort`` or ``hatch run lint:isort`` modifies all Python modules
+in-place with the proper sorting.
 
 .. _isort: https://github.com/timothycrosley/isort#readme
 
@@ -317,8 +297,8 @@ requirements. These hooks are managed through the `pre-commit framework`_.
 
 .. _pre-commit framework: https://pre-commit.com
 
-You may use ``make flake8-check`` or ``tox -e run-flake8`` and ``make
-pylint-check`` or ``tox -e run-pylint`` for additional checks on the code with
+You may use ``make flake8-check`` or ``hatch run lint:flake8`` and ``make
+pylint-check`` or ``hatch run lint:pylint`` for additional checks on the code with
 flake8_ and pylint_, but there is no strict requirement for a perfect score
 with either one of these linters. They only serve as a guideline for code that
 might be improved.
@@ -380,7 +360,7 @@ or
 
 .. code-block:: shell
 
-   tox -e docs
+   hatch run docs:build
 
 to generate the documentation locally.
 

HISTORY.rst

@@ -3,10 +3,14 @@ History
 =======
 
 
-(next version)
---------------
+1.3.0-dev (unreleased)
+----------------------
 
 * Bugfix: `∫gₐdt` and total functional were reported incorrectly (`#96`_, thanks to `@daviehh`_)
+* Bugfix: Restrict `qutip` to version 4. Support for `qutip 5.0` will be added in a later release
+* Changed: Dropped support for Python 3.5 and Python 3.6
+* Changed: The documentation will no longer be provided in PDF format
+* Changed: Development is now organized around hatch_ instead of tox_
 
 
 1.2.1 (2021-01-13)
@@ -135,6 +139,8 @@ Note: due to the changes in the time discretization of the controls and update s
 .. _@loganbvh: https://github.com/loganbvh
 .. _@daviehh: https://github.com/daviehh
 .. _Alberto Castro: https://www.bifi.es/~acastro/
+.. _hatch: https://hatch.pypa.io/latest/
+.. _tox: https://tox.wiki/en/latest/
 .. _#26: https://github.com/qucontrol/krotov/issues/26
 .. _#29: https://github.com/qucontrol/krotov/issues/29
 .. _#32: https://github.com/qucontrol/krotov/issues/32