Merge branch 'main' into pr-cmake-default-changes

Author: bmhowe23

.cudaq_version

@@ -1,7 +1,6 @@
 {
   "cudaq": {
     "repository": "NVIDIA/cuda-quantum",
-    "ref": "5785e44256b757263879580c82cb84adc85bcf5a"
+    "ref": "dcb0abaf464463061df38992b00f7c3150363d18"
   }
 }
-

.github/workflows/sync.yml

@@ -9,14 +9,13 @@ jobs:
   sync:
     name: Get Updates from Upstream
     if: ${{ github.repository != 'NVIDIA/cudaqx' }}
-    permissions:
-      actions: write
-      contents: write
     runs-on: 'ubuntu-latest'
 
     steps:
     - name: Checkout repository
       uses: actions/checkout@v4
+      with:
+        token: ${{ secrets.REPO_BOT_ACCESS_TOKEN }}
 
     - name: Fast-forward ${{ github.ref_name }}
       run: |

.github/workflows/update-cudaq-dep.yml

@@ -30,7 +30,7 @@ jobs:
         id: check_change
         run: |
           CURRENT_SHA=$(jq -r '.cudaq.ref' .cudaq_version)
-          if [[ "${{ env.LATEST_SHA }}" == "$CURRENT_SHA" ]]; then
+          if [[ "${{ env.sha }}" == "$CURRENT_SHA" ]]; then
             echo "No changes in SHA. Skipping PR creation."
             echo "changed=false" >> $GITHUB_OUTPUT
           else

libs/solvers/include/cudaq/solvers/operators/molecule/fermion_compilers/bravyi_kitaev.h

@@ -0,0 +1,29 @@
+/*******************************************************************************
+ * Copyright (c) 2024 NVIDIA Corporation & Affiliates.                         *
+ * All rights reserved.                                                        *
+ *                                                                             *
+ * This source code and the accompanying materials are made available under    *
+ * the terms of the Apache License 2.0 which accompanies this distribution.    *
+ ******************************************************************************/
+#pragma once
+
+#include "cudaq/solvers/operators/molecule/fermion_compiler.h"
+
+namespace cudaq::solvers {
+
+/// @brief Helper function used by the Bravyi-Kitaev transformation.
+cudaq::spin_op seeley_richard_love(std::size_t i, std::size_t j,
+                                   std::complex<double> coef, int n_qubits);
+
+/// @brief Map fermionic operators to spin operators via the
+/// Bravyi-Kitaev transformation.
+class bravyi_kitaev : public fermion_compiler {
+public:
+  cudaq::spin_op generate(const double constant, const cudaqx::tensor<> &hpq,
+                          const cudaqx::tensor<> &hpqrs,
+                          const cudaqx::heterogeneous_map &options) override;
+
+  CUDAQ_EXTENSION_CREATOR_FUNCTION(fermion_compiler, bravyi_kitaev)
+};
+CUDAQ_REGISTER_TYPE(bravyi_kitaev)
+} // namespace cudaq::solvers

libs/solvers/lib/CMakeLists.txt

@@ -15,6 +15,7 @@ add_library(cudaq-solvers SHARED
   operators/molecule/drivers/pyscf_driver.cpp
   operators/molecule/fermion_compilers/fermion_compiler.cpp
   operators/molecule/fermion_compilers/jordan_wigner.cpp
+  operators/molecule/fermion_compilers/bravyi_kitaev.cpp
   operators/molecule/molecule.cpp
   operators/graph/max_cut.cpp
   operators/graph/clique.cpp