Merge branch 'main' into cpp_photonics_get_state

NVIDIA · Sep 2, 2024 · 2431f52 · 2431f52
2 parents e0e55ba + 995e111
commit 2431f52
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Showing 7 changed files with 291 additions and 143 deletions.
diff --git a/.github/workflows/nvqc_regression_tests.yml b/.github/workflows/nvqc_regression_tests.yml
@@ -129,7 +129,7 @@ jobs:
             # custom_operation: https://github.com/NVIDIA/cuda-quantum/issues/1985
             # return_values: only supported in 0.8 NVQC service.
             # state_init: only supported in 0.8 NVQC service.
-            if [[ "$filename" != *"unsupport_args"* ]] && [[ "$filename" != *"state_overlap"* ]] && [[ "$filename" != *"compile_errors"* ]] && [[ "$filename" != *"nested_vectors"* ]] && [[ "$filename" != *"pauli_word"* ]] && [[ "$filename" != *"custom_operation"* ]] && [[ "$filename" != *"return_values"* ]] && [[ "$filename" != *"qvector_init_from_state"* ]]; then
+            if [[ "$filename" != *"unsupport_args"* ]] && [[ "$filename" != *"state_overlap"* ]] && [[ "$filename" != *"compile_errors"* ]] && [[ "$filename" != *"nested_vectors"* ]] && [[ "$filename" != *"pauli_word"* ]] && [[ "$filename" != *"custom_operation"* ]] && [[ "$filename" != *"return_values"* ]] && [[ "$filename" != *"qvector_init_from_state"* ]] && [[ "$filename" != *"qvector_init_from_vector"* ]]; then
               echo "$filename"
               nvqc_config=""
               # Look for a --remote-mqpu-auto-launch to determine the number of QPUs

diff --git a/docker/build/assets.Dockerfile b/docker/build/assets.Dockerfile
@@ -291,7 +291,7 @@ RUN cd /cuda-quantum && source scripts/configure_build.sh && \
         --param nvqpp_site_config=build/test/lit.site.cfg.py ${filtered} && \
     # FIXME: Some tests are still failing when building against libc++
     # tracked in https://github.com/NVIDIA/cuda-quantum/issues/1712
-    filtered=" --filter-out Kernel/inline-qpu-func" && \
+    filtered=" --filter-out Kernel/(inline-qpu-func|signature-2)" && \
     if [ ! -x "$(command -v nvcc)" ]; then \
         filtered+="|TargetConfig/check_compile"; \
     fi && \

diff --git a/docs/sphinx/examples/python/tutorials/H2-MRQKS.ipynb b/docs/sphinx/examples/python/tutorials/H2-MRQKS.ipynb
@@ -9,7 +9,19 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Package installs\n",
+    "!pip install pyscf==2.6.2\n",
+    "!pip install openfermionpyscf==0.5\n",
+    "!pip install openfermion==1.6.1"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -28,14 +40,14 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 3,
    "metadata": {},
    "outputs": [
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "Ground state energy (classical simulation)=  (-1.1371757102406848+0j) , index=  3\n"
+      "Ground state energy (classical simulation)=  (-1.1371757102406843+0j) , index=  3\n"
      ]
     }
    ],
@@ -63,7 +75,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": 4,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -87,7 +99,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": 5,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -140,7 +152,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": 6,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -161,7 +173,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 7,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -173,7 +185,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 8,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -187,7 +199,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 9,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -277,7 +289,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
+   "execution_count": 10,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -365,7 +377,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": 11,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -402,15 +414,15 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 12,
    "metadata": {},
    "outputs": [
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
       "Energy from QFD:\n",
-      "(-1.136755471242475-1.63528910693825e-20j)\n"
+      "(-1.1367554712424826+3.373828079812224e-20j)\n"
      ]
     }
    ],