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