Merge branch 'main' into ds/timedep_port

.github/workflows/lint.yml

@@ -0,0 +1,30 @@
+name: Linting
+
+on:
+  push:
+    branches:
+      - main
+  pull_request: {}
+  workflow_dispatch: {}
+
+jobs:
+  lint:
+    name: Linting
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.10"]
+    steps:
+        - name: Checkout main code
+          uses: actions/checkout@v4
+        - name: Set up Python ${{ matrix.python-version }}
+          uses: actions/setup-python@v5
+          with:
+            python-version: ${{ matrix.python-version }}
+        - name: Install pre-commit
+          run: |
+            pip install pre-commit
+            pre-commit install
+        - name: Check files and lint
+          run: |
+            pre-commit run --all-files

.github/workflows/run-tests-and-mypy.yml → .github/workflows/test.yml

@@ -1,4 +1,4 @@
-name: Linting / Tests / Documentation
+name: Tests
 
 on:
   push:
@@ -16,29 +16,6 @@ concurrency:
   cancel-in-progress: true
 
 jobs:
-  lint:
-    name: Linting
-    runs-on: ubuntu-latest
-    strategy:
-      matrix:
-        python-version: ["3.10"]
-    steps:
-        - name: Checkout main code and submodules
-          uses: actions/checkout@v4
-        - name: Set up Python ${{ matrix.python-version }}
-          uses: actions/setup-python@v4
-          with:
-            python-version: ${{ matrix.python-version }}
-        - name: Install hatch
-          run: |
-            python -m pip install hatch
-        - name: Install main dependencies
-          run: |
-            python -m hatch -v -e tests
-        - name: Lint
-          run: |
-            python -m hatch -e tests run pre-commit run --all-files
-
   unit_tests:
     name: Unit testing
     runs-on: ubuntu-latest
@@ -49,21 +26,19 @@ jobs:
         - name: Checkout main code and submodules
           uses: actions/checkout@v4
         - name: Set up Python ${{ matrix.python-version }}
-          uses: actions/setup-python@v4
+          uses: actions/setup-python@v5
           with:
             python-version: ${{ matrix.python-version }}
         - name: Install hatch
           run: |
-            python -m pip install hatch
-        - name: Install main dependencies
-          run: |
-            python -m hatch -v -e tests
-        - name: Lint
+            pip install --upgrade pip
+            pip install hatch
+        - name: Install main dependencies in test env
           run: |
-            python -m hatch -e tests run pre-commit run --all-files
+            hatch -v -e tests
         - name: Perform unit tests
           run: |
-            python -m hatch -e tests run pytest -n auto
+            hatch -e tests run pytest -n auto
 
   test_docs:
     name: Documentation
@@ -75,41 +50,46 @@ jobs:
         - name: Checkout main code and submodules
           uses: actions/checkout@v4
         - name: Set up Python ${{ matrix.python-version }}
-          uses: actions/setup-python@v4
+          uses: actions/setup-python@v5
           with:
             python-version: ${{ matrix.python-version }}
         - name: Install hatch
           run: |
-            python -m pip install hatch
+            pip install --upgrade pip
+            pip install hatch
         - name: Install main dependencies
           run: |
-            python -m hatch -v -e docs
+            hatch -v -e docs
         - name: Test docs
           run: |
-            python -m hatch run docs:build
+            hatch run docs:build
 
   publish:
     name: Publish to PyPI
     if: startsWith(github.ref, 'refs/tags/v')
     needs: unit_tests
     runs-on: ubuntu-latest
+    permissions:
+      # IMPORTANT: this permission is mandatory for trusted publishing
+      id-token: write
     steps:
-      - name: Checkout main code and submodules
+      - name: Checkout main code
         uses: actions/checkout@v4
         with:
           ref: ${{ github.ref }}
       - name: Set up Python
-        uses: actions/setup-python@v4
+        uses: actions/setup-python@v5
         with:
           python-version: "3.10"
       - name: Install Python dependencies
         run: |
-          python -m pip install --upgrade pip
+          pip install --upgrade pip
           pip install hatch
-      - name: Build and publish package
+      - name: Build package
         run: |
           hatch build
-          hatch publish -u __token__ -a ${{ secrets.PYPI_API_TOKEN }}
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
       - name: Confirm deployment
         timeout-minutes: 5
         run: |
@@ -123,17 +103,28 @@ jobs:
   deploy_docs:
     name: Deploy documentation
     if: startsWith(github.ref, 'refs/tags/v')
-    needs: unit_tests
+    needs: [unit_tests, test_docs]
     runs-on: ubuntu-latest
     steps:
-    - name: Checkout main code and submodules
+    - name: Checkout main code
       uses: actions/checkout@v4
+    - name: Install JetBrains Mono font
+      run: |
+        sudo apt install -y wget unzip fontconfig
+        wget https://download.jetbrains.com/fonts/JetBrainsMono-2.304.zip
+        unzip JetBrainsMono-2.304.zip -d JetBrainsMono
+        mkdir -p /usr/share/fonts/truetype/jetbrains
+        cp JetBrainsMono/fonts/ttf/*.ttf /usr/share/fonts/truetype/jetbrains/
+        fc-cache -f -v
+    - name: Install graphviz
+      run: sudo apt-get install -y graphviz
     - name: Set up Python 3.10
-      uses: actions/setup-python@v4
+      uses: actions/setup-python@v5
       with:
         python-version: '3.10'
     - name: Install Hatch
       run: |
+        pip install --upgrade pip
         pip install hatch
     - name: Deploy docs
       run: |

README.md

@@ -4,7 +4,7 @@
 It acts as the main backend for [`Qadence`](https://github.com/pasqal-io/qadence), a digital-analog quantum programming interface.
 `pyqtorch` allows for writing fully differentiable quantum programs using both digital and analog operations; enabled via a intuitive, torch-based syntax.
 
-[![Linting / Tests/ Documentation](https://github.com/pasqal-io/pyqtorch/actions/workflows/run-tests-and-mypy.yml/badge.svg)](https://github.com/pasqal-io/pyqtorch/actions/workflows/run-tests-and-mypy.yml)
+[![Linting / Tests/ Documentation](https://github.com/pasqal-io/pyqtorch/actions/workflows/test.yml/badge.svg)](https://github.com/pasqal-io/pyqtorch/actions/workflows/test.yml)
 [![License](https://img.shields.io/badge/License-Apache_2.0-blue.svg)](https://opensource.org/licenses/Apache-2.0)
 [![Pypi](https://badge.fury.io/py/pyqtorch.svg)](https://pypi.org/project/pyqtorch/)
 

docs/analog.md

@@ -2,6 +2,9 @@
 
 An analog operation is one whose unitary is best described by the evolution of some hermitian generator, or Hamiltonian, acting on an arbitrary number of qubits. For a time-independent generator $\mathcal{H}$ and some time variable $t$, the evolution operator is $\exp(-i\mathcal{H}t)$. `pyqtorch` provides the HamiltonianEvolution class to initialize analog operations. There exists several ways to pass a generator, and we present them next.
 
+!!! warning "Dimensionless units"
+    The quantity $\mathcal{H}t$ has to be **dimensionless** for exponentiation in PyQTorch.
+
 ### Tensor generator
 
 The first case of generator we can provide is simply an arbitrary hermitian tensor.

docs/differentiation.md

@@ -13,12 +13,11 @@ The [adjoint differentiation mode](https://arxiv.org/abs/2009.02823) computes fi
 The Generalized parameter shift rule (GPSR mode) is an extension of the well known [parameter shift rule (PSR)](https://arxiv.org/abs/1811.11184) algorithm [to arbitrary quantum operations](https://arxiv.org/abs/2108.01218). Indeed, PSR only works for quantum operations whose generator has a single gap in its eigenvalue spectrum, GPSR extending to multi-gap.
 
 !!! warning "Usage restrictions"
-    At the moment, only operations with two distinct eigenvalues
-    from their generator (single gap shift rule) are supported. The multi gap case
-    will be supported in a later release.
-    Circuits with one or more Scale or HamiltonianEvolution operations are not supported.
-    Finally, circuits with operations sharing a same parameter name
-    are also not supported.
+    At the moment, circuits with one or more Scale or HamiltonianEvolution operations are not supported.
+    They should be handled differently as GPSR requires operations to be of the form presented below.
+    Also, circuits with operations sharing a same parameter name are also not supported
+    as such cases are handled by our other Python package for differentiable digital-analog quantum programs Qadence
+    which uses pyqtorch as a backend. Qadence convert circuits to use different parameter names when applying GPSR.
 
 For this, we define the differentiable function as quantum expectation value
 
@@ -56,11 +55,11 @@ batch_size = 1
 
 ry = pyq.RY(0, param_name="x")
 cnot = pyq.CNOT(1, 2)
-ops = [ry]
+ops = [ry, cnot]
 n_qubits = 3
 circ = pyq.QuantumCircuit(n_qubits, ops)
 
-obs = pyq.QuantumCircuit(n_qubits, [pyq.Z(0)])
+obs = pyq.Observable(pyq.Z(0))
 state = pyq.zero_state(n_qubits)
 
 values_ad = {"x": torch.tensor([torch.pi / 2], requires_grad=True)}