Test

.github/workflows/build.yml

@@ -11,199 +11,50 @@ on:
         default: ""
 
 jobs:
-  # The deploy_test job is part of the test of whether we should deploy to PyPI
-  # or test.PyPI. The job will succeed if either the confirmation reference is
-  # empty, 'test' or if the confirmation is the selected branch or tag name.
-  # It will fail if it is nonempty and does not match.  All later jobs depend
-  # on this job, so that they will be immediately cancelled if the confirmation
-  # is bad.  The dependency is currently necessary (2021-03) because GitHub
-  # Actions does not have a simpler method of cancelling an entire workflow---
-  # the normal use-case expects to try and run as much as possible despite one
-  # or two failures.
-  deploy_test:
-    name: Verify PyPI deployment confirmation
-    runs-on: ubuntu-latest
-    env:
-      GITHUB_REF: ${{ github.ref }}
-      CONFIRM_REF: ${{ github.event.inputs.confirm_ref }}
-    steps:
-      - name: Compare confirmation to current reference
-        shell: bash
-        run: |
-          [[ -z $CONFIRM_REF || $GITHUB_REF =~ ^refs/(heads|tags)/$CONFIRM_REF$ || $CONFIRM_REF == "test" ]]
-          if [[ $CONFIRM_REF == "test" ]]; then
-            echo "Build and deploy to test.pypi.org."
-          elif [[ -z $CONFIRM_REF ]]; then
-            echo "Build only.  Nothing will be uploaded to PyPI."
-          else
-            echo "Full build and deploy.  Wheels and source will be uploaded to PyPI."
-          fi
-
-  build_sdist:
-    name: Build sdist on Ubuntu
-    needs: deploy_test
-    runs-on: ubuntu-latest
-    env:
-      OVERRIDE_VERSION: ${{ github.event.inputs.override_version }}
-
-    steps:
-      - uses: actions/checkout@v3
-
-      - uses: actions/setup-python@v4
-        name: Install Python
-        with:
-          # For the sdist we should be as conservative as possible with our
-          # Python version.  This should be the lowest supported version.  This
-          # means that no unsupported syntax can sneak through.
-          python-version: "3.10"
-
-      - name: Install pip build
-        run: |
-          python -m pip install 'build'
-
-      - name: Build sdist tarball
-        shell: bash
-        run: |
-          if [[ ! -z "$OVERRIDE_VERSION" ]]; then echo "$OVERRIDE_VERSION" > VERSION; fi
-          # The build package is the reference PEP 517 package builder.  All
-          # dependencies are specified by our setup code.
-          python -m build --sdist .
-
-      # Zip files are not part of PEP 517, so we need to make our own.
-      - name: Create zipfile from tarball
-        shell: bash
-        working-directory: dist
-        run: |
-          # First assert that there is exactly one tarball, and find its name.
-          shopt -s failglob
-          tarball_pattern="*.tar.gz"
-          tarballs=($tarball_pattern)
-          [[ ${#tarballs[@]} == 1 ]]
-          tarball="${tarballs[0]}"
-          # Get the stem and make the zipfile name.
-          stem="${tarball%.tar.gz}"
-          zipfile="${stem}.zip"
-          # Extract the tarball and rezip it.
-          tar -xzf "$tarball"
-          zip "$zipfile" -r "$stem"
-          rm -r "$stem"
-
-      - uses: actions/upload-artifact@v3
-        with:
-          name: sdist
-          path: |
-            dist/*.tar.gz
-            dist/*.zip
-          if-no-files-found: error
-
-  build_wheels:
-    name: Build wheels on ${{ matrix.os }}
-    needs: deploy_test
+  build:
+    name: Build distribution 📦
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [ubuntu-latest, windows-latest, macos-latest]
-    env:
-      # Set up wheels matrix.  This is CPython 3.10--3.12 for all OS targets.
-      CIBW_BUILD: "cp3{10,11,12}-*"
-      # Numpy and SciPy do not supply wheels for i686 or win32 for
-      # Python 3.10+, so we skip those:
-      CIBW_SKIP: "*-musllinux* cp3{10,11,12}-manylinux_i686 cp3{10,11,12}-win32"
-      OVERRIDE_VERSION: ${{ github.event.inputs.override_version }}
+        os: [ubuntu-latest, windows-latest, macOS-latest]
 
     steps:
-      - uses: actions/checkout@v3
-
-      - uses: actions/setup-python@v4
-        name: Install Python
+      - uses: actions/checkout@v4
+      - name: Set up Python
+        uses: actions/setup-python@v5
         with:
-          # This is about the build environment, not the released wheel version.
           python-version: "3.10"
-
       - name: Install cibuildwheel
-        run: |
-          # cibuildwheel does the heavy lifting for us. Originally tested on
-          # 2.11.3, but should be fine at least up to any minor new release.
-          python -m pip install 'cibuildwheel==2.11.*'
-
-      - name: Build wheels
-        shell: bash
-        run: |
-          # If the version override was specified, then write it the VERSION
-          # file with it.
-          if [[ ! -z "$OVERRIDE_VERSION" ]]; then echo "$OVERRIDE_VERSION" > VERSION; fi
-          python -m cibuildwheel --output-dir wheelhouse
-
-      - uses: actions/upload-artifact@v3
+        run: >-
+          python3 -m
+          pip install
+          cibuildwheel
+          --user
+      - name: Build a binary wheel and a source tarball
+        run: python3 -m cibuildwheel --output-dir dist
+      - name: Store the distribution packages
+        uses: actions/upload-artifact@v4
         with:
-          name: wheels
-          path: ./wheelhouse/*.whl
+          name: python-package-distributions
+          path: dist/
 
-  deploy:
-    name: "Deploy to PyPI if desired"
-    # The confirmation is tested explicitly in `deploy_test`, so we know it is
-    # either a missing confirmation (so we shouldn't run this job), 'test' or a
-    # valid confirmation.  We don't need to retest the value of the
-    # confirmation, beyond checking that one existed.
+  publish-to-pypi:
+    name: Publish Python 🐍 distribution 📦 to PyPI
     if: ${{ github.event.inputs.confirm_ref != '' && github.event.inputs.confirm_ref != 'test' }}
-    needs: [deploy_test, build_sdist, build_wheels]
-    runs-on: ubuntu-latest
-    env:
-      TWINE_USERNAME: __token__
-      TWINE_PASSWORD: ${{ secrets.PYPI_TOKEN }}
-      TWINE_NON_INTERACTIVE: 1
-      TWINE_REPOSITORY: pypi
-
-    steps:
-      - name: Download build artifacts to local runner
-        uses: actions/download-artifact@v3
-
-      - uses: actions/setup-python@v4
-        name: Install Python
-        with:
-          python-version: "3.10"
-
-      - name: Verify this is not a dev version
-        shell: bash
-        run: |
-          python -m pip install wheels/*-cp310-cp310-manylinux*.whl
-          python -c 'import qutip_qoc; print(qutip_qoc.__version__); assert "dev" not in qutip_qoc.__version__; assert "+" not in qutip_qoc.__version__'
-
-      # We built the zipfile for convenience distributing to Windows users on
-      # our end, but PyPI only needs the tarball.
-      - name: Upload sdist and wheels to PyPI
-        run: |
-          python -m pip install "twine"
-          python -m twine upload --verbose wheels/*.whl sdist/*.tar.gz
-
-  deploy_testpypi:
-    name: "Deploy to TestPyPI if desired"
-    if: ${{ github.event.inputs.confirm_ref == 'test' }}
-    needs: [deploy_test, build_sdist, build_wheels]
+    needs:
+      - build
     runs-on: ubuntu-latest
-    env:
-      TWINE_USERNAME: __token__
-      TWINE_PASSWORD: ${{ secrets.TESTPYPI_TOKEN }}
-      TWINE_NON_INTERACTIVE: 1
+    environment:
+      name: pypi
+      url: https://pypi.org/p/qutip-qoc
+    permissions:
+      id-token: write
 
     steps:
-      - name: Download build artifacts to local runner
-        uses: actions/download-artifact@v3
-
-      - uses: actions/setup-python@v4
-        name: Install Python
+      - name: Download all the dists
+        uses: actions/download-artifact@v4
         with:
-          python-version: "3.10"
-
-      - name: Verify this is not a dev version
-        shell: bash
-        run: |
-          python -m pip install wheels/*-cp310-cp310-manylinux*.whl
-          python -c 'import qutip_qoc; print(qutip_qoc.__version__); assert "dev" not in qutip_qoc.__version__; assert "+" not in qutip_qoc.__version__'
-
-      # We built the zipfile for convenience distributing to Windows users on
-      # our end, but PyPI only needs the tarball.
-      - name: Upload sdist and wheels to TestPyPI
-        run: |
-          python -m pip install "twine"
-          python -m twine upload --repository testpypi --verbose wheels/*.whl sdist/*.tar.gz
+          name: python-package-distributions
+          path: dist/
+      - name: Publish distribution 📦 to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1

.github/workflows/build_documentation.yml

@@ -8,7 +8,7 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
 
       - uses: actions/setup-python@v4
         name: Install Python
@@ -42,7 +42,7 @@ jobs:
           #   -T : display a full traceback if a Python exception occurs
 
       - name: Upload built files
-        uses: actions/upload-artifact@v3
+        uses: actions/upload-artifact@v4
         with:
           name: qutip_qoc_html_docs
           path: doc/_build/html/*

.github/workflows/test.yml

@@ -47,7 +47,7 @@ jobs:
             python-version: "3.12"
 
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - name: Set up Python
         uses: actions/setup-python@v4
         with:
@@ -92,7 +92,7 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - name: Set up Python
         uses: actions/setup-python@v4
         with:

.pre-commit-config.yaml

@@ -92,3 +92,5 @@ repos:
           - jaxlib
           - diffrax
           - pytest
+          - gymnasium
+          - stable-baselines3

MANIFEST.in

@@ -1,4 +1,5 @@
 include README.md
+include VERSION
 include LICENSE
 include requirements.txt
 include pyproject.toml

README.md

@@ -26,9 +26,12 @@ To install the package, use
 pip install qutip-qoc
 ```
 
+By default, the dependencies required for JOPT and for the RL (reinforcement learning) algorithm are omitted.
+They can be included by using the targets `qutip-qoc[jopt]` and `qutip-qoc[rl]`, respectively (or `qutip-qoc[full]` for all dependencies).
+
 ## Documentation and tutorials
 
-The documentation of `qutip-qoc` updated to the latest development version is hosted at [qutip-qoc.readthedocs.io](https://qutip-qoc.readthedocs.io/en/latest/).
+The documentation of `qutip-qoc` updated to the latest development version is hosted at [qutip-qoc.readthedocs.io](https://qutip-qoc.readthedocs.io/latest/).
 Tutorials related to using quantum optimal control in `qutip-qoc` can be found [_here_](https://qutip.org/qutip-tutorials/#optimal-control).
 
 ## Installation from source
@@ -40,7 +43,7 @@ pip install --upgrade pip
 pip install -e .
 ```
 
-which makes sure that you are up to date with the latest `pip` version. Contribution guidelines are available [_here_](https://qutip-qoc.readthedocs.io/en/latest/contribution-code.html).
+which makes sure that you are up to date with the latest `pip` version. Contribution guidelines are available [_here_](https://qutip-qoc.readthedocs.io/latest/contribution/code.html).
 
 To build and test the documentation, additional packages need to be installed:
 

VERSION

@@ -1 +1 @@
-0.0.1
+0.1.0.dev

doc/changelog.rst

@@ -3,6 +3,30 @@ Changelog
 *********
 
 
+Version 0.0.2 (Oct 04, 2024)
++++++++++++++++++++++++++++++++++
+
+This is an update to the beta release of ``qutip-qoc``.
+
+It mainly introduces the new reinforcement learning algorithm ``qutip_qoc._rl``.
+
+- Non-public facing functions have been renamed to start with an underscore.
+- As with other QuTiP functions, ``optimize_pulses`` now takes a ``tlist`` argument instead of ``_TimeInterval``.
+- The structure for the control guess and bounds has changed and now takes in an optional ``__time__`` keyword.
+- The ``result`` does no longer return ``optimized_objectives`` but instead ``optimized_H``.
+
+Features
+--------
+
+- New reinforcement learning algorithm, developed during GSOC24 (#19, #18, by LegionAtol)
+- Automatic transfromation of initial and target operator to superoperator (#23, by flowerthrower)
+
+Bug Fixes
+---------
+
+- Prevent loss of `__time__` keyword in optimize_pulses (#22, by flowerthrower)
+
+
 Version 0.0.1 (May xx, 2024)
 +++++++++++++++++++++++++++++++++
 

doc/conf.py

@@ -62,6 +62,10 @@ def qutip_qoc_version():
 
 html_theme = "sphinx_rtd_theme"
 html_static_path = []
+html_js_files = [
+    'https://code.jquery.com/jquery-3.6.0.min.js',
+]
+
 
 # -- Options for numpydoc ---------------------------------------
 

doc/contribution/code.rst

@@ -7,7 +7,7 @@ Contributing to the source code
 Build up an development environment
 ===================================
 
-Please follow the instruction on the `QuTiP contribution guide <https://qutip.org/docs/latest/development/contributing.html#building>`_ to
+Please follow the instruction on the `QuTiP contribution guide <https://qutip.readthedocs.io/en/latest/development/contributing.html>`_ to
 build a conda environment.
 
 You don't need to build ``qutip`` in the editable mode unless you also want to contribute to `qutip`.