Merge branch 'master' into prod-accepts-qfunc

.github/workflows/tests-gpu.yml

@@ -15,7 +15,7 @@ concurrency:
   cancel-in-progress: true
 
 env:
-  TORCH_VERSION: 1.13.0
+  TORCH_VERSION: 2.0.0
 
 jobs:
   gpu-tests:
@@ -69,7 +69,7 @@ jobs:
       - name: Setup Python virtual environment
         id: setup_venv
         env:
-          VENV_NAME: venv_${{ steps.setup_python.outputs.python-version }}_${{ github.sha }}
+          VENV_NAME: ${{ github.workspace }}/venv_${{ steps.setup_python.outputs.python-version }}_${{ github.sha }}
         run: |
           # Clear any pre-existing venvs
           rm -rf venv_*
@@ -97,7 +97,7 @@ jobs:
 
       - name: Install Torch
         run: |
-          python -m pip install torch==${{ env.TORCH_VERSION }} -f https://download.pytorch.org/whl/cu113/torch_stable.html
+          python -m pip install --no-cache-dir torch==${{ env.TORCH_VERSION }} -f https://download.pytorch.org/whl/cu118/torch_stable.html
 
       - name: Install PennyLane
         run: |
@@ -120,3 +120,4 @@ jobs:
           rm -rf .git
           rm -rf .gitignore
           rm -rf .github
+          pip cache purge

doc/development/deprecations.rst

@@ -57,23 +57,24 @@ Pending deprecations
         some_qfunc(params)
         return qml.expval(Hamiltonian)
 
-* The ``collections`` module has been deprecated.
 
-  - Deprecated in v0.29
-  - Will be removed in v0.31
+Completed deprecation cycles
+----------------------------
 
-* ``qml.op_sum``` is deprecated. Users should use ``qml.sum`` instead.
+* The ``qml.utils.sparse_hamiltonian`` function is deprecated. ``~.Hamiltonian.sparse_matrix`` should be used instead.
 
-  - Deprecated in v0.29.
-  - Will be removed in v0.31.
+  - Deprecated in v0.29
+  - Removed in v0.31
 
-* The ``qml.utils.sparse_hamiltonian`` function is deprecated. ``~.Hamiltonian.sparse_matrix`` should be used instead.
+* The ``collections`` module has been deprecated.
 
   - Deprecated in v0.29
   - Removed in v0.31
 
-Completed deprecation cycles
-----------------------------
+* ``qml.op_sum``` is deprecated. Users should use ``qml.sum`` instead.
+
+  - Deprecated in v0.29.
+  - Removed in v0.31.
 
 * ``Evolution`` now adds a ``-1`` to the input parameter. Beforehand, the minus sign was not included.
 

doc/releases/changelog-dev.md

@@ -6,6 +6,11 @@
 
 <h3>Improvements 🛠</h3>
 
+* An error is now raised by `qchem.molecular_hamiltonian` when the `dhf` method is used for an 
+  open-shell system. This duplicates a similar error in `qchem.Molecule` but makes it easier to
+  inform the users that the `pyscf` backend can be used for open-shell calculations.
+  [(4058)](https://github.com/PennyLaneAI/pennylane/pull/4058)
+
 * Added a `shots` property to `QuantumScript`. This will allow shots to be tied to executions instead of devices more
   concretely.
   [(#4067)](https://github.com/PennyLaneAI/pennylane/pull/4067)
@@ -18,16 +23,26 @@
 
 <h3>Breaking changes 💔</h3>
 
+* `pennylane.collections`, `pennylane.op_sum`, and `pennylane.utils.sparse_hamiltonian` are removed.
+
 <h3>Deprecations 👋</h3>
 
 <h3>Documentation 📝</h3>
 
+* The description of `mult` in the `qchem.Molecule` docstring now correctly states the value
+  of `mult` that is supported.
+  [(4058)](https://github.com/PennyLaneAI/pennylane/pull/4058)
+
 <h3>Bug fixes 🐛</h3>
 
 <h3>Contributors ✍️</h3>
 
 This release contains contributions from (in alphabetical order):
 
+Isaac De Vlugt,
+Soran Jahangiri,
+Christina Lee,
 Mudit Pandey,
 Matthew Silverman,
-Jay Soni,
+Jay Soni
+

pennylane/__init__.py

@@ -65,7 +65,7 @@
     shadow_expval,
 )
 from pennylane.ops import *
-from pennylane.ops import adjoint, ctrl, exp, sum, pow, prod, s_prod, op_sum
+from pennylane.ops import adjoint, ctrl, exp, sum, pow, prod, s_prod
 from pennylane.templates import broadcast, layer
 from pennylane.templates.embeddings import *
 from pennylane.templates.layers import *
@@ -106,8 +106,6 @@
 import pennylane.data
 import pennylane.pulse
 
-# collections needs to be imported after all other pennylane imports
-from .collections import QNodeCollection, map
 import pennylane.gradients  # pylint:disable=wrong-import-order
 import pennylane.qinfo  # pylint:disable=wrong-import-order
 from pennylane.interfaces import execute  # pylint:disable=wrong-import-order