Merge public main into private/main (NVIDIA#37)

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

@@ -0,0 +1,68 @@
+on:
+  workflow_dispatch:
+  schedule:
+    - cron: 0 1 * * 6
+
+name: "Bump CUDA-Q Commit"
+
+jobs:
+  update-cudaq-commit:
+    name: Bump CUDA-Q Commit
+    runs-on: ubuntu-latest
+    if: ${{ github.repository == 'NVIDIA/cudaqx' }}
+    permissions:
+      contents: write  # Required to push changes
+      pull-requests: write  # Required to open PRs
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v4
+        with:
+          ref: main
+
+      - name: Fetch the latest commit
+        run: |
+          SHA=$(curl -s "https://api.github.com/repos/NVIDIA/cuda-quantum/commits/main" | jq -r '.sha')
+          echo "Latest SHA: $SHA"
+          echo "sha=$SHA" >> $GITHUB_ENV
+
+      - name: Check if SHA has changed
+        id: check_change
+        run: |
+          CURRENT_SHA=$(jq -r '.cudaq.ref' .cudaq_version)
+          if [[ "${{ env.sha }}" == "$CURRENT_SHA" ]]; then
+            echo "No changes in SHA. Skipping PR creation."
+            echo "changed=false" >> $GITHUB_OUTPUT
+          else
+            echo "SHA has changed. Proceeding to create PR."
+            echo "changed=true" >> $GITHUB_OUTPUT
+          fi
+
+      - name: Update .cudaq_version file
+        if: ${{ steps.check_change.outputs.changed == 'true' }}
+        run: |
+          jq '.cudaq.ref = "${{ env.sha }}"' .cudaq_version > .cudaq_version.tmp
+          mv .cudaq_version.tmp .cudaq_version
+          echo "Updated SHA in .cudaq_version"
+
+      - name: Commit and push changes
+        if: ${{ steps.check_change.outputs.changed == 'true' }}
+        run: |
+          git config --global user.email "[email protected]"
+          git config --global user.name "GitHub Action"
+          BRANCH_NAME="update-cudaq-sha-$(date +%s)"
+          git checkout -b $BRANCH_NAME
+          git add .cudaq_version
+          git commit -m "Update dependency SHA to ${{ env.sha }}"
+          git push origin $BRANCH_NAME
+
+      - name: Create Pull Request
+        if: ${{ steps.check_change.outputs.changed == 'true' }}
+        env:
+          GITHUB_TOKEN: ${{ github.token }}
+        run: |
+          gh pr create \
+            --title "Bump CUDA-Q commit" \
+            --body "Auto update to the latest CUDA-Q commit" \
+            --head "${BRANCH_NAME}" \
+            --base "main"

CMakeLists.txt

@@ -16,7 +16,7 @@ project(CUDAQX
   LANGUAGES C CXX)
 
 set(CUDAQX_ALL_LIBS "qec;solvers")
-set(CUDAQX_ENABLE_LIBS "" CACHE STRING
+set(CUDAQX_ENABLE_LIBS "all" CACHE STRING
   "Semicolon-separated list of libs to build (${CUDAQX_ALL_LIBS}), or \"all\".")
 
 # We don't want to handle "all" later, thus expand it here.
@@ -45,9 +45,9 @@ include(CUDA-QX)
 # Options
 # ==============================================================================
 
-option(CUDAQX_INCLUDE_TESTS "Generate build targets for unit tests." OFF)
-option(CUDAQX_INCLUDE_DOCS "Generate build targets for the docs." OFF)
-option(CUDAQX_BINDINGS_PYTHON "Generate build targets for python bindings." OFF)
+option(CUDAQX_INCLUDE_TESTS "Generate build targets for unit tests." ON)
+option(CUDAQX_INCLUDE_DOCS "Generate build targets for the docs." ON)
+option(CUDAQX_BINDINGS_PYTHON "Generate build targets for python bindings." ON)
 
 # Top-level External Dependencies
 # ==============================================================================

docs/sphinx/components/qec/introduction.rst

@@ -870,8 +870,8 @@ Here's a complete example of running a memory experiment:
 
         # Create code and decoder
         code = qec.get_code('steane')
-        decoder = qec.get_decoder('steane_lut',
-                                code.get_parity())
+        decoder = qec.get_decoder('single_error_lut',
+                                  code.get_parity())
 
         # Configure noise
         noise = cudaq.noise_model()

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