Merge pull request #32 from rochisha0/prep-qutip-qtrl-0.1.4

Bugfix release - 0.1.4

Author: Ericgig

.github/workflows/test.yml

@@ -23,7 +23,7 @@ jobs:
             python-version: '3.10'
           - case-name: qutip-5.0
             os: ubuntu-latest
-            qutip-version: '==5.0.1'
+            qutip-version: '==5.0.*'
             python-version: '3.9'
 
     steps:
@@ -36,14 +36,12 @@ jobs:
     - name: Install QuTiP from PyPI
       if: ${{ matrix.qutip-version != '' && ! startsWith( matrix.qutip-version, '@') }}
       run: |
-        python -m pip install 'numpy>=1.19,<2.0'
         python -m pip install ${{ matrix.qutip-pre }} 'qutip${{ matrix.qutip-version }}'
 
     - name: Install QuTiP from GitHub
       if: ${{ startsWith( matrix.qutip-version, '@') }}
       run: |
         python -m pip install scipy cython
-        python -m pip install 'numpy>=1.19,<2.0'
         python -m pip install 'git+https://github.com/qutip/qutip.git${{ matrix.qutip-version }}'
 
     - name: Install qutip-qtrl

VERSION

@@ -1 +1 @@
-0.1.3
+0.1.4

doc/changelog.rst

@@ -2,6 +2,17 @@
 Changelog
 *********
 
+Version 0.1.4 (February 10, 2025)
++++++++++++++++++++++++++++++
+
+This patch implements changes necessary to support numpy v2.
+
+Miscellaneous
+-------------
+
+- Increase the sampling points in tests for pulse optimization (#27, Boxi Li).
+
+
 Version 0.1.3 (June 24, 2024)
 +++++++++++++++++++++++++++++
 

src/qutip_qtrl/dump.py

@@ -11,7 +11,6 @@
 import os
 import copy
 import numpy as np
-from numpy.compat import asbytes
 
 # QuTiP control modules
 import qutip_qtrl.io as qtrlio
@@ -429,7 +428,7 @@ def writeout(self, f=None):
             for ois in self.iter_summary:
                 if ois.idx == 0:
                     fs.write(
-                        asbytes(
+                        str.encode(
                             "{}\n{}\n".format(
                                 ois.get_header_line(self.summary_sep),
                                 ois.get_value_line(self.summary_sep),
@@ -438,7 +437,7 @@ def writeout(self, f=None):
                     )
                 else:
                     fs.write(
-                        asbytes(
+                        str.encode(
                             "{}\n".format(ois.get_value_line(self.summary_sep))
                         )
                     )
@@ -451,14 +450,14 @@ def writeout(self, f=None):
 
         if self.dump_fid_err:
             if fall:
-                fall.write(asbytes("Fidelity errors:\n"))
+                fall.write(str.encode("Fidelity errors:\n"))
                 np.savetxt(fall, self.fid_err_log)
             else:
                 np.savetxt(self.fid_err_file, self.fid_err_log)
 
         if self.dump_grad_norm:
             if fall:
-                fall.write(asbytes("gradients norms:\n"))
+                fall.write(str.encode("gradients norms:\n"))
                 np.savetxt(fall, self.grad_norm_log)
             else:
                 np.savetxt(self.grad_norm_file, self.grad_norm_log)
@@ -468,7 +467,9 @@ def writeout(self, f=None):
             for grad in self.grad_log:
                 g_num += 1
                 if fall:
-                    fall.write(asbytes("gradients (call {}):\n".format(g_num)))
+                    fall.write(
+                        str.encode("gradients (call {}):\n".format(g_num))
+                    )
                     np.savetxt(fall, grad)
                 else:
                     fname = "{}-fid_err_gradients{}.{}".format(
@@ -709,7 +710,7 @@ def writeout(self, f=None):
             for ecs in self.evo_summary:
                 if ecs.idx == 0:
                     fs.write(
-                        asbytes(
+                        str.encode(
                             "{}\n{}\n".format(
                                 ecs.get_header_line(self.summary_sep),
                                 ecs.get_value_line(self.summary_sep),
@@ -718,7 +719,7 @@ def writeout(self, f=None):
                     )
                 else:
                     fs.write(
-                        asbytes(
+                        str.encode(
                             "{}\n".format(ecs.get_value_line(self.summary_sep))
                         )
                     )
@@ -801,7 +802,7 @@ def writeout(self, f=None):
             # write all to this stream
             fall = f
             closefall = False
-            f.write(asbytes("EVOLUTION COMPUTATION {}\n".format(self.idx)))
+            f.write(str.encode("EVOLUTION COMPUTATION {}\n".format(self.idx)))
         elif f:
             fall = open(f, "wb")
         else:
@@ -813,7 +814,7 @@ def writeout(self, f=None):
         if self.ctrl_amps is not None:
             if fall:
                 f = fall
-                f.write(asbytes("Ctrl amps\n"))
+                f.write(str.encode("Ctrl amps\n"))
             else:
                 fname = "{}-ctrl_amps.{}".format(fnbase, dump.dump_file_ext)
                 f = open(os.path.join(dump.dump_dir, fname), "wb")
@@ -829,14 +830,16 @@ def writeout(self, f=None):
             k = 0
             if fall:
                 f = fall
-                f.write(asbytes("Dynamics Generators\n"))
+                f.write(str.encode("Dynamics Generators\n"))
             else:
                 fname = "{}-dyn_gen.{}".format(fnbase, dump.dump_file_ext)
                 f = open(os.path.join(dump.dump_dir, fname), "wb")
                 closef = True
             for dg in self.dyn_gen:
                 f.write(
-                    asbytes("dynamics generator for timeslot {}\n".format(k))
+                    str.encode(
+                        "dynamics generator for timeslot {}\n".format(k)
+                    )
                 )
                 np.savetxt(f, self.dyn_gen[k], delimiter=dump.data_sep)
                 k += 1
@@ -848,13 +851,13 @@ def writeout(self, f=None):
             k = 0
             if fall:
                 f = fall
-                f.write(asbytes("Propagators\n"))
+                f.write(str.encode("Propagators\n"))
             else:
                 fname = "{}-prop.{}".format(fnbase, dump.dump_file_ext)
                 f = open(os.path.join(dump.dump_dir, fname), "wb")
                 closef = True
             for dg in self.dyn_gen:
-                f.write(asbytes("Propagator for timeslot {}\n".format(k)))
+                f.write(str.encode("Propagator for timeslot {}\n".format(k)))
                 np.savetxt(f, self.prop[k], delimiter=dump.data_sep)
                 k += 1
             if closef:
@@ -865,15 +868,15 @@ def writeout(self, f=None):
             k = 0
             if fall:
                 f = fall
-                f.write(asbytes("Propagator gradients\n"))
+                f.write(str.encode("Propagator gradients\n"))
             else:
                 fname = "{}-prop_grad.{}".format(fnbase, dump.dump_file_ext)
                 f = open(os.path.join(dump.dump_dir, fname), "wb")
                 closef = True
             for k in range(self.prop_grad.shape[0]):
                 for j in range(self.prop_grad.shape[1]):
                     f.write(
-                        asbytes(
+                        str.encode(
                             "Propagator gradient for timeslot {} "
                             "control {}\n".format(k, j)
                         )
@@ -889,13 +892,13 @@ def writeout(self, f=None):
             k = 0
             if fall:
                 f = fall
-                f.write(asbytes("Forward evolution\n"))
+                f.write(str.encode("Forward evolution\n"))
             else:
                 fname = "{}-fwd_evo.{}".format(fnbase, dump.dump_file_ext)
                 f = open(os.path.join(dump.dump_dir, fname), "wb")
                 closef = True
             for dg in self.dyn_gen:
-                f.write(asbytes("Evolution from 0 to {}\n".format(k)))
+                f.write(str.encode("Evolution from 0 to {}\n".format(k)))
                 np.savetxt(f, self.fwd_evo[k], delimiter=dump.data_sep)
                 k += 1
             if closef:
@@ -906,13 +909,13 @@ def writeout(self, f=None):
             k = 0
             if fall:
                 f = fall
-                f.write(asbytes("Onward evolution\n"))
+                f.write(str.encode("Onward evolution\n"))
             else:
                 fname = "{}-onwd_evo.{}".format(fnbase, dump.dump_file_ext)
                 f = open(os.path.join(dump.dump_dir, fname), "wb")
                 closef = True
             for dg in self.dyn_gen:
-                f.write(asbytes("Evolution from {} to end\n".format(k)))
+                f.write(str.encode("Evolution from {} to end\n".format(k)))
                 np.savetxt(f, self.fwd_evo[k], delimiter=dump.data_sep)
                 k += 1
             if closef:
@@ -923,13 +926,15 @@ def writeout(self, f=None):
             k = 0
             if fall:
                 f = fall
-                f.write(asbytes("Onto evolution\n"))
+                f.write(str.encode("Onto evolution\n"))
             else:
                 fname = "{}-onto_evo.{}".format(fnbase, dump.dump_file_ext)
                 f = open(os.path.join(dump.dump_dir, fname), "wb")
                 closef = True
             for dg in self.dyn_gen:
-                f.write(asbytes("Evolution from {} onto target\n".format(k)))
+                f.write(
+                    str.encode("Evolution from {} onto target\n".format(k))
+                )
                 np.savetxt(f, self.fwd_evo[k], delimiter=dump.data_sep)
                 k += 1
             if closef:

src/qutip_qtrl/fidcomp.py

@@ -622,7 +622,7 @@ def get_fid_err(self):
                 )
 
             if np.isnan(self.fid_err):
-                self.fid_err = np.Inf
+                self.fid_err = np.inf
 
             if dyn.stats is not None:
                 dyn.stats.num_fidelity_computes += 1
@@ -707,7 +707,7 @@ def compute_fid_err_grad(self):
                         * np.real(_trace(evo_f_diff.conj().T.dot(evo_grad)))
                     )
                 if np.isnan(g):
-                    g = np.Inf
+                    g = np.inf
 
                 grad[k, j] = g
         if dyn.stats is not None:
@@ -786,7 +786,7 @@ def compute_fid_err_grad(self):
 
                 g = (fid_err_eps - curr_fid_err) / self.epsilon
                 if np.isnan(g):
-                    g = np.Inf
+                    g = np.inf
 
                 grad[k, j] = g
 

src/qutip_qtrl/optimresult.py

@@ -84,8 +84,8 @@ def __init__(self):
 
     def reset(self):
         self.fidelity = 0.0
-        self.initial_fid_err = np.Inf
-        self.fid_err = np.Inf
+        self.initial_fid_err = np.inf
+        self.fid_err = np.inf
         self.goal_achieved = False
         self.grad_norm_final = 0.0
         self.grad_norm_min_reached = False

src/qutip_qtrl/stats.py

@@ -151,21 +151,21 @@ def calculate(self):
                 self.num_ctrl_amp_updates / float(self.num_iter)
             )
         except Exception:
-            self.mean_num_ctrl_amp_updates_per_iter = np.NaN
+            self.mean_num_ctrl_amp_updates_per_iter = np.nan
 
         try:
             self.mean_num_timeslot_changes_per_update = (
                 self.num_timeslot_changes / float(self.num_ctrl_amp_updates)
             )
         except Exception:
-            self.mean_num_timeslot_changes_per_update = np.NaN
+            self.mean_num_timeslot_changes_per_update = np.nan
 
         try:
             self.mean_num_ctrl_amp_changes_per_update = (
                 self.num_ctrl_amp_changes / float(self.num_ctrl_amp_updates)
             )
         except Exception:
-            self.mean_num_ctrl_amp_changes_per_update = np.NaN
+            self.mean_num_ctrl_amp_changes_per_update = np.nan
 
     def _format_datetime(self, t, tot=0.0):
         dtStr = str(datetime.timedelta(seconds=t))

tests/test_control_pulseoptim.py

@@ -610,7 +610,7 @@ def _count_waves(system):
     ],
 )
 class TestPeriodicControlFunction:
-    num_tslots = 1_000
+    num_tslots = 3_000
     evo_time = 10
 
     @pytest.mark.parametrize("n_waves", [1, 5, 10, 100])