Make TQ Compatible with Qiskit ≥1.0.0

.github/workflows/functional_tests.yaml

@@ -4,7 +4,7 @@
 name: Python package
 
 on:
-  push: 
+  push:
   pull_request:
 
 jobs:
@@ -17,16 +17,16 @@ jobs:
         python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
 
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v3
+      uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
         if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
-        python -m pip install flake8 pytest qiskit-aer qiskit_ibm_runtime
+        python -m pip install flake8 pytest
     - name: Lint with flake8
       run: |
         # stop the build if there are Python syntax errors or undefined names

.github/workflows/lint.yaml

@@ -14,9 +14,9 @@ jobs:
   lint:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - name: Setup Python 3.8
-        uses: actions/setup-python@v4
+        uses: actions/setup-python@v5
         with:
           python-version: ${{ env.PYTHON_VERSION }}
       - name: Update pip and install lint utilities

.github/workflows/pull_request.yaml

@@ -9,8 +9,8 @@ jobs:
   pre-commit:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v3
-      - uses: actions/setup-python@v4
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v5
         with:
           python-version: ${{ env.PYTHON_VERSION }}
       - uses: pre-commit/[email protected]

requirements.txt

@@ -8,10 +8,10 @@ opt_einsum
 pathos>=0.2.7
 pylatexenc>=2.10
 pyscf>=2.0.1
-qiskit>=0.39.0,<1.0.0
+qiskit>=1.0.0
 recommonmark
-qiskit_ibm_runtime==0.20.0
-qiskit-aer==0.13.3
+qiskit-ibm-runtime>=0.20.0
+qiskit-aer>=0.13.3
 
 scipy>=1.5.2
 setuptools>=52.0.0

test/functional/test_controlled_unitary.py

@@ -22,10 +22,12 @@
 SOFTWARE.
 """
 
-import torchquantum as tq
 from test.utils import check_all_close
+
 import numpy as np
 
+import torchquantum as tq
+
 
 def test_controlled_unitary():
     state = tq.QuantumDevice(n_wires=2)

test/functional/test_func_mat_exp.py

@@ -22,9 +22,10 @@
 SOFTWARE.
 """
 
+import numpy as np
 import torch
+
 import torchquantum as tq
-import numpy as np
 
 
 def test_func_mat_exp():

test/hadamard_grad/test_hadamard_grad.py

@@ -1,7 +1,9 @@
 import numpy as np
+import pytest
+
 from examples.hadamard_grad.circ import Circ1, Circ2, Circ3
 from examples.hadamard_grad.hadamard_grad import hadamard_grad
-import pytest
+
 
 @pytest.mark.skip
 def test_hadamard_grad():
@@ -38,4 +40,4 @@ def test_hadamard_grad():
 
 
 if __name__ == "__main__":
-    test_hadamard_grad()
+    test_hadamard_grad()

test/layers/test_nlocal.py

@@ -1,12 +1,13 @@
-import torchquantum as tq
 from qiskit.circuit.library import (
-    TwoLocal,
     EfficientSU2,
     ExcitationPreserving,
     PauliTwoDesign,
     RealAmplitudes,
+    TwoLocal,
 )
 
+import torchquantum as tq
+
 
 def compare_tq_to_qiskit(tq_circuit, qiskit_circuit, instance_info=""):
     """
@@ -16,8 +17,8 @@ def compare_tq_to_qiskit(tq_circuit, qiskit_circuit, instance_info=""):
     qiskit_ops = []
     for bit in qiskit_circuit.decompose():
         wires = []
-        for qu in bit.qubits:
-            wires.append(qu.index)
+        for qb in bit.qubits:
+            wires.append(qiskit_circuit.find_bit(qb).index)
         qiskit_ops.append(
             {
                 "name": bit.operation.name,
@@ -29,9 +30,9 @@ def compare_tq_to_qiskit(tq_circuit, qiskit_circuit, instance_info=""):
     tq_ops = [
         {
             "name": op["name"],
-            "wires": (op["wires"],)
-            if isinstance(op["wires"], int)
-            else tuple(op["wires"]),
+            "wires": (
+                (op["wires"],) if isinstance(op["wires"], int) else tuple(op["wires"])
+            ),
         }
         for op in tq_circuit.op_history
     ]

test/layers/test_rotgate.py

@@ -1,14 +1,10 @@
-import torchquantum as tq
-import qiskit
-from qiskit import Aer, execute
-
-from torchquantum.util import (
-    switch_little_big_endian_matrix,
-    find_global_phase,
-)
-
-from qiskit.circuit.library import GR, GRX, GRY, GRZ
 import numpy as np
+from qiskit import transpile
+from qiskit.circuit.library import GR, GRX, GRY, GRZ
+from qiskit_aer import AerSimulator
+
+import torchquantum as tq
+from torchquantum.util import find_global_phase, switch_little_big_endian_matrix
 
 all_pairs = [
     {"qiskit": GR, "tq": tq.layer.GlobalR, "params": 2},
@@ -19,6 +15,7 @@
 
 ITERATIONS = 2
 
+
 def test_rotgates():
     # test each pair
     for pair in all_pairs:
@@ -28,15 +25,18 @@ def test_rotgates():
             for _ in range(ITERATIONS):
                 # generate random parameters
                 params = [
-                    np.random.uniform(-2 * np.pi, 2 * np.pi) for _ in range(pair["params"])
+                    np.random.uniform(-2 * np.pi, 2 * np.pi)
+                    for _ in range(pair["params"])
                 ]
 
                 # create the qiskit circuit
                 qiskit_circuit = pair["qiskit"](num_wires, *params)
 
                 # get the unitary from qiskit
-                backend = Aer.get_backend("unitary_simulator")
-                result = execute(qiskit_circuit, backend).result()
+                backend = AerSimulator(method="unitary")
+                qiskit_circuit = transpile(qiskit_circuit, backend)
+                qiskit_circuit.save_unitary()
+                result = backend.run(qiskit_circuit).result()
                 unitary_qiskit = result.get_unitary(qiskit_circuit)
 
                 # create tq circuit

test/measurement/test_eval_observable.py

@@ -22,19 +22,21 @@
 SOFTWARE.
 """
 
-from qiskit import QuantumCircuit
-import numpy as np
 import random
-from qiskit.opflow import StateFn, X, Y, Z, I
 
-import torchquantum as tq
+import numpy as np
+from qiskit import QuantumCircuit
+from qiskit.quantum_info import Pauli, Statevector
 
+import torchquantum as tq
 from torchquantum.measurement import expval_joint_analytical, expval_joint_sampling
 from torchquantum.plugin import op_history2qiskit
 from torchquantum.util import switch_little_big_endian_state
 
-import torch
-
+X = Pauli("X")
+Y = Pauli("Y")
+Z = Pauli("Z")
+I = Pauli("I")
 pauli_str_op_dict = {
     "X": X,
     "Y": Y,
@@ -67,20 +69,19 @@ def test_expval_observable():
         for ob in obs[1:]:
             # note here the order is reversed because qiskit is in little endian
             operator = pauli_str_op_dict[ob] ^ operator
-        psi = StateFn(qiskit_circ)
-        psi_evaled = psi.eval()._primitive._data
+        psi = Statevector(qiskit_circ)
         state_tq = switch_little_big_endian_state(
             qdev.get_states_1d().detach().numpy()
         )[0]
-        assert np.allclose(psi_evaled, state_tq, atol=1e-5)
+        assert np.allclose(psi.data, state_tq, atol=1e-5)
 
-        expval_qiskit = (~psi @ operator @ psi).eval().real
+        expval_qiskit = psi.expectation_value(operator).real
         # print(expval_tq, expval_qiskit)
         assert np.isclose(expval_tq, expval_qiskit, atol=1e-5)
         if (
             n_wires <= 3
         ):  # if too many wires, the stochastic method is not accurate due to limited shots
-            assert np.isclose(expval_tq_sampling, expval_qiskit, atol=1e-2)
+            assert np.isclose(expval_tq_sampling, expval_qiskit, atol=0.015)
 
     print("expval observable test passed")
 
@@ -92,34 +93,34 @@ def util0():
     qc.x(0)
 
     operator = Z ^ I
-    psi = StateFn(qc)
-    expectation_value = (~psi @ operator @ psi).eval()
+    psi = Statevector(qc)
+    expectation_value = psi.expectation_value(operator)
     print(expectation_value.real)
     # result: 1.0, means measurement result is 0, so Z is on qubit 1
 
     operator = I ^ Z
-    psi = StateFn(qc)
-    expectation_value = (~psi @ operator @ psi).eval()
+    psi = Statevector(qc)
+    expectation_value = psi.expectation_value(operator)
     print(expectation_value.real)
     # result: -1.0 means measurement result is 1, so Z is on qubit 0
 
     operator = I ^ I
-    psi = StateFn(qc)
-    expectation_value = (~psi @ operator @ psi).eval()
+    psi = Statevector(qc)
+    expectation_value = psi.expectation_value(operator)
     print(expectation_value.real)
 
     operator = Z ^ Z
-    psi = StateFn(qc)
-    expectation_value = (~psi @ operator @ psi).eval()
+    psi = Statevector(qc)
+    expectation_value = psi.expectation_value(operator)
     print(expectation_value.real)
 
     qc = QuantumCircuit(3)
 
     qc.x(0)
 
     operator = I ^ I ^ Z
-    psi = StateFn(qc)
-    expectation_value = (~psi @ operator @ psi).eval()
+    psi = Statevector(qc)
+    expectation_value = psi.expectation_value(operator)
     print(expectation_value.real)
 
 

test/measurement/test_expval_joint_sampling_grouping.py

@@ -22,15 +22,16 @@
 SOFTWARE.
 """
 
+import random
+
+import numpy as np
+
 import torchquantum as tq
 from torchquantum.measurement import (
     expval_joint_analytical,
     expval_joint_sampling_grouping,
 )
 
-import numpy as np
-import random
-
 
 def test_expval_joint_sampling_grouping():
     n_obs = 20
@@ -54,7 +55,7 @@ def test_expval_joint_sampling_grouping():
     )
     for obs in obs_all:
         # assert
-        assert np.isclose(expval_ana[obs], expval_sam[obs][0].item(), atol=1e-2)
+        assert np.isclose(expval_ana[obs], expval_sam[obs][0].item(), atol=0.015)
         print(obs, expval_ana[obs], expval_sam[obs][0].item())
 
 

test/measurement/test_measure.py

@@ -22,11 +22,12 @@
 SOFTWARE.
 """
 
-import torchquantum as tq
+import numpy as np
+from qiskit import transpile
+from qiskit_aer import AerSimulator
 
+import torchquantum as tq
 from torchquantum.plugin import op_history2qiskit
-from qiskit import Aer, transpile
-import numpy as np
 
 
 def test_measure():
@@ -42,7 +43,7 @@ def test_measure():
 
     circ = op_history2qiskit(qdev.n_wires, qdev.op_history)
     circ.measure_all()
-    simulator = Aer.get_backend("aer_simulator")
+    simulator = AerSimulator()
     circ = transpile(circ, simulator)
     qiskit_res = simulator.run(circ, shots=n_shots).result()
     qiskit_counts = qiskit_res.get_counts()

test/operator/test_ControlledU.py

@@ -25,14 +25,13 @@
 # test the controlled unitary function
 
 
-import torchquantum as tq
-import torchquantum.functional as tqf
 from test.utils import check_all_close
 
 # import pdb
 # pdb.set_trace()
 import numpy as np
 
+import torchquantum as tq
 
 flag = 4
 

test/plugin/test_qiskit2tq_op_history.py

@@ -22,11 +22,11 @@
 SOFTWARE.
 """
 
-from torchquantum.plugin import qiskit2tq_op_history
-import torchquantum as tq
-from qiskit.circuit.random import random_circuit
 from qiskit import QuantumCircuit
 
+import torchquantum as tq
+from torchquantum.plugin import qiskit2tq_op_history
+
 
 def test_qiskit2tp_op_history():
     circ = QuantumCircuit(3, 3)