Unit tests, wires, and endianness

pennylane_qrack/QrackDeviceConfig.toml

@@ -44,8 +44,6 @@ CRY = { properties = [ "controllable", "invertible" ] }
 CRZ = { properties = [ "controllable", "invertible" ] }
 CRot = { properties = [ "controllable", "invertible" ] }
 U3 = { properties = [ "controllable", "invertible" ] }
-U2 = { properties = [ "controllable", "invertible" ] }
-U1 = { properties = [ "controllable", "invertible" ] }
 MultiControlledX = { properties = [ "controllable", "invertible" ] }
 Identity = { properties = [ "controllable", "invertible" ] }
 
@@ -78,6 +76,8 @@ Identity = { properties = [ "controllable", "invertible" ] }
 # IsingYY = {}
 # IsingZZ = {}
 # IsingXY = {}
+# U2 = {}
+# U1 = {}
 # QFT = {}
 
 # Gates which should be translated to QubitUnitary
@@ -132,19 +132,19 @@ wires = "wires"
 # Number of shots per job
 shots = "shots"
 # Use "hybrid" stabilizer optimization? (Default is "true"; non-Clifford circuits will fall back to near-Clifford or universal simulation)
-is_hybrid_stabilizer = "is_hybrid_stabilizer"
+is_hybrid_stabilizer = "isStabilizerHybrid"
 # Use "tensor network" optimization? (Default is "false"; prevents dynamic qubit de-allocation; might function sub-optimally with "hybrid" stabilizer enabled)
-is_tensor_network = "is_tensor_network"
+is_tensor_network = "isTensorNetwork"
 # Use Schmidt decomposition optimizations? (Default is "true")
-is_schmidt_decomposed = "is_schmidt_decomposed"
+is_schmidt_decomposed = "isSchmidtDecompose"
 # Distribute Schmidt-decomposed qubit subsystems to multiple GPUs or accelerators, if available? (Default is "true"; mismatched device capacities might hurt overall performance)
-is_schmidt_decomposition_parallel = "is_schmidt_decomposition_parallel"
+is_schmidt_decomposition_parallel = "isSchmidtDecomposeMulti"
 # Use "quantum binary decision diagram" ("QBDD") methods? (Default is "false"; note that QBDD is CPU-only)
-is_qbdd = "is_qbdd"
+is_qbdd = "isBinaryDecisionTree"
 # Use GPU acceleration? (Default is "true")
-is_gpu = "is_gpu"
+is_gpu = "isOpenCL"
 # Allocate GPU buffer from general host heap? (Default is "false"; "true" might improve performance or reliability in certain cases, like if using an Intel HD as accelerator)
-is_host_pointer = "is_host_pointer"
+is_host_pointer = "isHostPointer"
 
 # In the above example, a dictionary will be constructed at run time.
 # The dictionary will contain the string key "option_key" and its value

pennylane_qrack/qrack_device.cpp

@@ -151,7 +151,7 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
             qsim->CU(c, wires[1U], ZERO_R1, ZERO_R1, inverse ? -params[0U] : params[0U]);
             qsim->Swap(wires[0U], wires[1U]);
             qsim->CU(c, wires[1U], ZERO_R1, ZERO_R1, inverse ? -params[0U] : params[0U]);
-        } else if ((name == "PhaseShift") || (name == "U1")) {
+        } else if (name == "PhaseShift") {
             const Qrack::complex bottomRight = exp(Qrack::I_CMPLX * (Qrack::real1)(inverse ? -params[0U] : params[0U]));
             for (const bitLenInt& target : wires) {
                 qsim->Phase(Qrack::ONE_CMPLX, bottomRight, target);
@@ -169,33 +169,28 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
                 qsim->RZ(inverse ? -params[0U] : params[0U], target);
             }
         } else if (name == "Rot") {
+            const Qrack::real1 phi = inverse ? -params[2U] : params[0U];
+            const Qrack::real1 theta = inverse ? -params[1U] : params[1U];
+            const Qrack::real1 omega = inverse ? -params[0U] : params[2U];
+            const Qrack::real1 cos0 = (Qrack::real1)cos(theta / 2);
+            const Qrack::real1 sin0 = (Qrack::real1)sin(theta / 2);
+            const Qrack::complex expP = exp(Qrack::I_CMPLX * (phi + omega) / (2 * ONE_R1));
+            const Qrack::complex expM = exp(Qrack::I_CMPLX * (phi - omega) / (2 * ONE_R1));
+            const Qrack::complex mtrx[4U]{
+                cos0 / expP, -sin0 * expM,
+                sin0 / expM, cos0 * expP
+            };
             for (const bitLenInt& target : wires) {
-                if (inverse) {
-                    qsim->RZ(-params[2U], target);
-                    qsim->RY(-params[1U], target);
-                    qsim->RZ(-params[0U], target);
-                } else {
-                    qsim->RZ(params[0U], target);
-                    qsim->RY(params[1U], target);
-                    qsim->RZ(params[2U], target);
-                }
+                qsim->Mtrx(mtrx, target);
             }
         } else if (name == "U3") {
             for (const bitLenInt& target : wires) {
                 if (inverse) {
-                    qsim->U(target, -params[0U], -params[1U], -params[2U]);
+                    qsim->U(target, -params[0U], -params[2U], -params[1U]);
                 } else {
                     qsim->U(target, params[0U], params[1U], params[2U]);
                 }
             }
-        } else if (name == "U2") {
-            for (const bitLenInt& target : wires) {
-                if (inverse) {
-                    qsim->U(target, -Qrack::PI_R1 / 2, -params[0U], -params[1U]);
-                } else {
-                    qsim->U(target, Qrack::PI_R1 / 2, params[0U], params[1U]);
-                }
-            }
         } else if (name != "Identity") {
             throw std::domain_error("Unrecognized gate name: " + name);
         }
@@ -299,7 +294,7 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
                     qsim->X(control_wires[i]);
                 }
             }
-        } else if ((name == "PhaseShift") || (name == "U1") || (name == "ControlledPhaseShift") || (name == "CPhase")) {
+        } else if ((name == "PhaseShift") || (name == "ControlledPhaseShift") || (name == "CPhase")) {
             const Qrack::complex bottomRight = exp(Qrack::I_CMPLX * (Qrack::real1)(inverse ? -params[0U] : params[0U]));
             for (const bitLenInt& target : wires) {
                 qsim->UCPhase(control_wires, Qrack::ONE_CMPLX, bottomRight, target, controlPerm);
@@ -336,9 +331,9 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
                 qsim->UCPhase(control_wires, conj(bottomRight), bottomRight, target, controlPerm);
             }
         } else if ((name == "Rot") || (name == "CRot")) {
-            const Qrack::real1 phi = inverse ? -params[0U] : params[0U];
+            const Qrack::real1 phi = inverse ? -params[2U] : params[0U];
             const Qrack::real1 theta = inverse ? -params[1U] : params[1U];
-            const Qrack::real1 omega = inverse ? -params[2U] : params[2U];
+            const Qrack::real1 omega = inverse ? -params[0U] : params[2U];
             const Qrack::real1 cos0 = (Qrack::real1)cos(theta / 2);
             const Qrack::real1 sin0 = (Qrack::real1)sin(theta / 2);
             const Qrack::complex expP = exp(Qrack::I_CMPLX * (phi + omega) / (2 * ONE_R1));
@@ -351,34 +346,21 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
                 qsim->UCMtrx(control_wires, mtrx, target, controlPerm);
             }
         } else if (name == "U3") {
-            const Qrack::real1 theta = inverse ? -params[0U] : params[0U];
-            const Qrack::real1 phi = inverse ? -params[1U] : params[1U];
-            const Qrack::real1 lambda = inverse ? -params[2U] : params[2U];
-            const Qrack::real1 cos0 = (Qrack::real1)cos(theta / 2);
-            const Qrack::real1 sin0 = (Qrack::real1)sin(theta / 2);
+            const Qrack::real1 th = params[0U];
+            const Qrack::real1 ph = params[1U];
+            const Qrack::real1 lm = params[2U];
+            const Qrack::real1 cos0 = (Qrack::real1)cos(th / 2);
+            const Qrack::real1 sin0 = (Qrack::real1)sin(th / 2);
             const Qrack::complex mtrx[4U]{
-                Qrack::complex(cos0, ZERO_R1), sin0 * Qrack::complex((Qrack::real1)(-cos(lambda)),
-                (Qrack::real1)(-sin(lambda))),
-                sin0 * Qrack::complex((Qrack::real1)cos(phi), (Qrack::real1)sin(phi)),
-                cos0 * Qrack::complex((Qrack::real1)cos(phi + lambda), (Qrack::real1)sin(phi + lambda))
+                Qrack::complex(cos0, ZERO_R1), sin0 * Qrack::complex((Qrack::real1)(-cos(lm)),
+                (Qrack::real1)(-sin(lm))),
+                sin0 * Qrack::complex((Qrack::real1)cos(ph), (Qrack::real1)sin(ph)),
+                cos0 * Qrack::complex((Qrack::real1)cos(ph + lm), (Qrack::real1)sin(ph + lm))
             };
+            Qrack::complex iMtrx[4U];
+            Qrack::inv2x2(mtrx, iMtrx);
             for (const bitLenInt& target : wires) {
-                qsim->UCMtrx(control_wires, mtrx, target, controlPerm);
-            }
-        } else if (name == "U2") {
-            const Qrack::real1 theta = (inverse ? -Qrack::PI_R1 : Qrack::PI_R1) / 2;
-            const Qrack::real1 phi = inverse ? -params[0U] : params[0U];
-            const Qrack::real1 lambda = inverse ? -params[1U] : params[1U];
-            const Qrack::real1 cos0 = (Qrack::real1)cos(theta / 2);
-            const Qrack::real1 sin0 = (Qrack::real1)sin(theta / 2);
-            const Qrack::complex mtrx[4U]{
-                Qrack::complex(cos0, ZERO_R1), sin0 * Qrack::complex((Qrack::real1)(-cos(lambda)),
-                (Qrack::real1)(-sin(lambda))),
-                sin0 * Qrack::complex((Qrack::real1)cos(phi), (Qrack::real1)sin(phi)),
-                cos0 * Qrack::complex((Qrack::real1)cos(phi + lambda), (Qrack::real1)sin(phi + lambda))
-            };
-            for (const bitLenInt& target : wires) {
-                qsim->UCMtrx(control_wires, mtrx, target, controlPerm);
+                qsim->UCMtrx(control_wires, inverse ? iMtrx : mtrx, target, controlPerm);
             }
         } else if (name != "Identity") {
             throw std::domain_error("Unrecognized gate name: " + name);
@@ -423,6 +405,12 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
             kwargs.erase(0, pos + 1U);
 
             if (key == "'wires'") {
+                // Handle if empty
+                // We look for ',' or npos, to respect other Wires value kwargs
+                if (kwargs.find("<Wires = []>") != kwargs.find("<Wires = []>,")) {
+                    continue;
+                }
+
                 // Handle if integer
                 pos = kwargs.find(",");
                 bool isInt = true;
@@ -537,7 +525,9 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
 
     auto AllocateQubit() -> QubitIdType override {
         if (allocated_qubits >= qubit_map.size()) {
-            throw std::runtime_error("Catalyst has requested more qubits than exist in device. (Set your wires count high enough, for the device.)");
+            throw std::runtime_error("Catalyst has requested more qubits than exist in device, with "
+                + std::to_string(allocated_qubits) + " allocated qubits. "
+                + "(Set your wires count high enough, for the device.)");
         }
         auto it = qubit_map.begin();
         std::advance(it, allocated_qubits);
@@ -758,6 +748,7 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
     {
         RT_FAIL_IF((size_t)Qrack::pow2(wires.size()) != p.size(), "Invalid size for the pre-allocated probabilities vector");
         auto &&dev_wires = getDeviceWires(wires);
+        std::reverse(dev_wires.begin(), dev_wires.end());
 #if FPPOW == 6
         qsim->ProbBitsAll(dev_wires, &(*(p.begin())));
 #else
@@ -772,11 +763,9 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
         // that could be instead implied by the size of "samples."
         RT_FAIL_IF(samples.size() != shots, "Invalid size for the pre-allocated samples");
 
-        reverseWires();
-
         std::vector<bitCapInt> qPowers(qsim->GetQubitCount());
         for (bitLenInt i = 0U; i < qPowers.size(); ++i) {
-            qPowers[i] = Qrack::pow2(i);
+            qPowers[i] = Qrack::pow2(qPowers.size() - (i + 1U));
         }
         auto q_samples = qsim->MultiShotMeasureMask(qPowers, shots);
 
@@ -787,8 +776,6 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
                 *(samplesIter++) = bi_to_double((sample >> wire) & 1U);
             }
         }
-
-        reverseWires();
     }
     void PartialSample(DataView<double, 2> &samples, const std::vector<QubitIdType> &wires, size_t shots) override
     {
@@ -799,7 +786,7 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
         auto &&dev_wires = getDeviceWires(wires);
         std::vector<bitCapInt> qPowers(dev_wires.size());
         for (size_t i = 0U; i < qPowers.size(); ++i) {
-            qPowers[i] = Qrack::pow2((bitLenInt)dev_wires[i]);
+            qPowers[i] = Qrack::pow2(dev_wires[qPowers.size() - (i + 1U)]);
         }
         auto q_samples = qsim->MultiShotMeasureMask(qPowers, shots);
 
@@ -822,11 +809,9 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
         RT_FAIL_IF(eigvals.size() != numElements || counts.size() != numElements,
                    "Invalid size for the pre-allocated counts");
 
-        reverseWires();
-
         std::vector<bitCapInt> qPowers(numQubits);
         for (bitLenInt i = 0U; i < qPowers.size(); ++i) {
-            qPowers[i] = Qrack::pow2(i);
+            qPowers[i] = Qrack::pow2(qPowers.size() - (i + 1U));
         }
         auto q_samples = qsim->MultiShotMeasureMask(qPowers, shots);
 
@@ -842,8 +827,6 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
             }
             ++counts(static_cast<size_t>(basisState.to_ulong()));
         }
-
-        reverseWires();
     }
 
     void PartialCounts(DataView<double, 1> &eigvals, DataView<int64_t, 1> &counts,
@@ -860,7 +843,7 @@ struct QrackDevice final : public Catalyst::Runtime::QuantumDevice {
         auto &&dev_wires = getDeviceWires(wires);
         std::vector<bitCapInt> qPowers(dev_wires.size());
         for (size_t i = 0U; i < qPowers.size(); ++i) {
-            qPowers[i] = Qrack::pow2(dev_wires[i]);
+            qPowers[i] = Qrack::pow2(dev_wires[qPowers.size() - (i + 1U)]);
         }
         auto q_samples = qsim->MultiShotMeasureMask(qPowers, shots);
 

pennylane_qrack/qrack_device.py

@@ -127,10 +127,6 @@ class QrackDevice(QubitDevice):
         "C(SX)",
         "PhaseShift",
         "C(PhaseShift)",
-        "U1",
-        "C(U1)",
-        "U2",
-        "C(U2)",
         "U3",
         "C(U3)",
         "Rot",
@@ -342,16 +338,17 @@ def _apply_gate(self, op):
             theta = par[1]
             omega = par[2]
             if ".inv" in opname:
-                phi = -phi
+                tmp = phi
+                phi = -omega
                 theta = -theta
-                omega = -omega
+                omega = -phi
             c = math.cos(theta / 2)
             s = math.sin(theta / 2)
             mtrx = [
                 cmath.exp(-0.5j * (phi + omega)) * c,
                 cmath.exp(0.5j * (phi - omega)) * s,
                 cmath.exp(-0.5j * (phi - omega)) * s,
-                cmath.exp(0.5j * (phi + omega)) * c,
+                cmath.exp(0.5j * (phi + omega)) * np.cos(theta / 2),
             ]
             self._state.mcmtrx(device_wires.labels[:-1], mtrx, device_wires.labels[-1])
         elif opname in ["SWAP", "SWAP.inv"]:
@@ -472,21 +469,21 @@ def _apply_gate(self, op):
                 [(1 + 1j) / 2, (1 - 1j) / 2, (1 - 1j) / 2, (1 + 1j) / 2],
                 device_wires.labels[-1],
             )
-        elif opname in ["PhaseShift", "U1"]:
+        elif opname == "PhaseShift":
             p_mtrx = [1, 0, 0, cmath.exp(1j * par[0])]
             for label in device_wires.labels:
                 self._state.mtrx(p_mtrx, label)
-        elif opname in ["PhaseShift.inv", "U1.inv"]:
+        elif opname == "PhaseShift.inv":
             ip_mtrx = [1, 0, 0, cmath.exp(1j * -par[0])]
             for label in device_wires.labels:
                 self._state.mtrx(ip_mtrx, label)
-        elif opname in ["C(PhaseShift)", "C(U1)"]:
+        elif opname == "C(PhaseShift)":
             self._state.mtrx(
                 device_wires.labels[:-1],
                 [1, 0, 0, cmath.exp(1j * par[0])],
                 device_wires.labels[-1],
             )
-        elif opname in ["C(PhaseShift).inv", "C(U1).inv"]:
+        elif opname == "C(PhaseShift).inv":
             self._state.mtrx(
                 device_wires.labels[:-1],
                 [1, 0, 0, cmath.exp(1j * -par[0])],
@@ -514,52 +511,12 @@ def _apply_gate(self, op):
                 [1, 0, 0, cmath.exp(1j * -par[0])],
                 device_wires.labels[-1],
             )
-        elif opname == "U2":
-            u2_mtrx = [
-                1,
-                cmath.exp(1j * par[1]),
-                cmath.exp(1j * par[0]),
-                cmath.exp(1j * (par[0] + par[1])),
-            ]
-            for label in device_wires.labels:
-                self._state.mtrx(u2_mtrx, label)
-        elif opname == "U2.inv":
-            iu2_mtrx = [
-                1,
-                cmath.exp(1j * -par[1]),
-                cmath.exp(1j * -par[0]),
-                cmath.exp(1j * (-par[0] - par[1])),
-            ]
-            for label in device_wires.labels:
-                self._state.mtrx(iu2_mtrx, label)
-        elif opname == "C(U2)":
-            self._state.mcmtrx(
-                device_wires.labels[:-1],
-                [
-                    1,
-                    cmath.exp(1j * par[1]),
-                    cmath.exp(1j * par[0]),
-                    cmath.exp(1j * (par[0] + par[1])),
-                ],
-                device_wires.labels[-1],
-            )
-        elif opname == "C(U2).inv":
-            self._state.mcmtrx(
-                device_wires.labels[:-1],
-                [
-                    1,
-                    cmath.exp(1j * -par[1]),
-                    cmath.exp(1j * -par[0]),
-                    cmath.exp(1j * (-par[0] - par[1])),
-                ],
-                device_wires.labels[-1],
-            )
         elif opname == "U3":
             for label in device_wires.labels:
                 self._state.u(label, par[0], par[1], par[2])
         elif opname == "U3.inv":
             for label in device_wires.labels:
-                self._state.u(label, -par[0], -par[1], -par[2])
+                self._state.u(label, -par[0], -par[2], -par[1])
         elif opname == "Rot":
             for label in device_wires.labels:
                 self._state.r(Pauli.PauliZ, par[0], label)
@@ -583,8 +540,8 @@ def _apply_gate(self, op):
                 device_wires.labels[:-1],
                 device_wires.labels[-1],
                 -par[0],
-                -par[1],
                 -par[2],
+                -par[1],
             )
         elif opname not in [
             "Identity",

requirements.txt

@@ -1,4 +1,5 @@
 pennylane>=0.32
+pennylane-catalyst>=0.6
 pyqrack>=0.13.0
 numpy~=1.16
 scikit-build