Update stable/0.3 for dependency updates (#163)

Author: DanPuzzuoli

docs/conf.py

@@ -25,7 +25,7 @@
 # The short X.Y version
 version = ''
 # The full version, including alpha/beta/rc tags
-release = '0.3.1'
+release = '0.3.2'
 
 extensions = [
     'sphinx.ext.napoleon',

qiskit_dynamics/VERSION.txt

@@ -1 +1 @@
-0.3.1
+0.3.2

qiskit_dynamics/dispatch/backends/jax.py

@@ -22,6 +22,14 @@
 
     JAX_TYPES = (DeviceArray, Tracer, JaxprTracer, JVPTracer)
 
+    try:
+        # This class was introduced in 0.4.0
+        from jax import Array
+
+        JAX_TYPES += (Array,)
+    except ImportError:
+        pass
+
     try:
         # This class is not in older versions of Jax
         from jax.interpreters.partial_eval import DynamicJaxprTracer

releasenotes/notes/0.3/0.3.2-patch-41a8de03122fe9dd.yaml

@@ -0,0 +1,4 @@
+---
+upgrade:
+  - |
+    The ``jax.Array`` class has been added to the dispatcher for compatibility with JAX 0.4.0.

test/dynamics/models/test_generator_model.py

@@ -2,13 +2,12 @@
 #
 # (C) Copyright IBM 2020.
 #
-# This code is licensed under the Apache License, Version 2.0. You may
-# obtain a copy of this license in the LICENSE.txt file in the root directory
-# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+# This code is licensed under the Apache License, Version 2.0. You may obtain a copy of this license
+# in the LICENSE.txt file in the root directory of this source tree or at
+# http://www.apache.org/licenses/LICENSE-2.0.
 #
-# Any modifications or derivative works of this code must retain this
-# copyright notice, and modified files need to carry a notice indicating
-# that they have been altered from the originals.
+# Any modifications or derivative works of this code must retain this copyright notice, and modified
+# files need to carry a notice indicating that they have been altered from the originals.
 # pylint: disable=invalid-name
 
 """Tests for generator_models.py. """
@@ -757,29 +756,31 @@ def test_array_inputs_pseudo_random(self):
         old_frame = rng.uniform(low=-b, high=b, size=(dim, dim)) + 1j * rng.uniform(
             low=-b, high=b, size=(dim, dim)
         )
-        old_frame = old_frame - old_frame.conj().transpose()
+        old_frame = RotatingFrame(old_frame - old_frame.conj().transpose())
+
         new_frame = rng.uniform(low=-b, high=b, size=(dim, dim)) + 1j * rng.uniform(
             low=-b, high=b, size=(dim, dim)
         )
-        new_frame = new_frame - new_frame.conj().transpose()
+        new_frame = RotatingFrame(new_frame - new_frame.conj().transpose())
 
         out_static = transfer_static_operator_between_frames(
-            Array(static_operator), new_frame=Array(new_frame), old_frame=Array(old_frame)
+            Array(static_operator), new_frame=new_frame, old_frame=old_frame
         )
         out_operators = transfer_operators_between_frames(
-            Array(operators), new_frame=Array(new_frame), old_frame=Array(old_frame)
+            Array(operators), new_frame=new_frame, old_frame=old_frame
         )
 
         self.assertTrue(isinstance(out_static, (np.ndarray, Array)))
         self.assertTrue(isinstance(out_operators, (np.ndarray, Array)))
 
-        _, U = wrap(np.linalg.eigh)(1j * old_frame)
-        _, V = wrap(np.linalg.eigh)(1j * new_frame)
-        Uadj = U.conj().transpose()
-        Vadj = V.conj().transpose()
-
-        expected_static = Vadj @ ((U @ static_operator @ Uadj + old_frame) - new_frame) @ V
-        expected_operators = Vadj @ (U @ operators @ Uadj) @ V
+        expected_static = new_frame.operator_into_frame_basis(
+            (old_frame.operator_out_of_frame_basis(static_operator) + old_frame.frame_operator)
+            - new_frame.frame_operator
+        )
+        expected_operators = [
+            new_frame.operator_into_frame_basis(old_frame.operator_out_of_frame_basis(op))
+            for op in operators
+        ]
 
         self.assertAllClose(out_static, expected_static)
         self.assertAllClose(out_operators, expected_operators)

test/dynamics/solvers/test_lanczos.py

@@ -2,13 +2,12 @@
 #
 # (C) Copyright IBM 2022.
 #
-# This code is licensed under the Apache License, Version 2.0. You may
-# obtain a copy of this license in the LICENSE.txt file in the root directory
-# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+# This code is licensed under the Apache License, Version 2.0. You may obtain a copy of this license
+# in the LICENSE.txt file in the root directory of this source tree or at
+# http://www.apache.org/licenses/LICENSE-2.0.
 #
-# Any modifications or derivative works of this code must retain this
-# copyright notice, and modified files need to carry a notice indicating
-# that they have been altered from the originals.
+# Any modifications or derivative works of this code must retain this copyright notice, and modified
+# files need to carry a notice indicating that they have been altered from the originals.
 # pylint: disable=invalid-name
 
 """
@@ -64,7 +63,9 @@ def test_ground_state(self):
         eigen_vectors_l = q_basis @ eigen_vectors_t
         eigen_values_np, eigen_vectors_np = np.linalg.eigh(self.rand_op)
 
-        self.assertAllClose(eigen_vectors_np[:, 0], eigen_vectors_l[:, 0])
+        # test overlap is 1.
+        overlap = np.abs(np.sum(eigen_vectors_np[:, 0].conj() * eigen_vectors_l[:, 0]))
+        self.assertAllClose(overlap, 1.0)
         self.assertAllClose(eigen_values_np[0], eigen_values_l[0])
 
     def test_expm(self):

test/dynamics/solvers/test_solver_classes.py

@@ -997,7 +997,7 @@ def test_two_channel_SuperOp_simulation(self, model):
             y0=SuperOp(np.eye(4, dtype=complex)),
             schedules=sched,
             signals=signals,
-            test_tol=1e-9,
+            test_tol=1e-8,
             atol=1e-12,
             rtol=1e-12,
         )

tox.ini

@@ -1,7 +1,7 @@
 [tox]
-minversion = 2.1
+minversion = 3.3.0
 envlist = py39,py38,py37,py310,lint
-skipsdist = True
+isolated_build = true
 
 [testenv]
 usedevelop = True