Merge branch 'dev' into codex/ci-pr-critical-path

Author: ciaranra

Justfile

@@ -875,8 +875,11 @@ sync-deps:
     # the toolkit is installed AND an NVIDIA GPU is present. Pure Rust users
     # and machines without a GPU skip this -- mirrors `pecos python build`.
     if {{pecos}} cuda check -q 2>/dev/null && nvidia-smi -L 2>/dev/null | grep -q "^GPU "; then
-        echo "CUDA toolkit + NVIDIA GPU detected -- including CUDA Python packages"
-        SYNC_ARGS+=(--group cuda)
+        # Pick the cuda group matching the CUDA major (default cuda13).
+        CUDA_GROUP=cuda13
+        if nvcc --version 2>/dev/null | grep -qE "release 12[.,]"; then CUDA_GROUP=cuda12; fi
+        echo "CUDA toolkit + NVIDIA GPU detected -- including CUDA Python packages ($CUDA_GROUP)"
+        SYNC_ARGS+=(--group "$CUDA_GROUP")
     fi
     uv sync "${SYNC_ARGS[@]}"
 

crates/pecos-cli/src/cli/cuda_cmd.rs

@@ -218,7 +218,8 @@ fn run_validate(path: Option<String>) -> Result<()> {
 }
 
 /// CLI entry point for `pecos cuda setup-python`. Validates the toolkit is
-/// present, then runs `uv sync --locked --group cuda` and prints next-step hints.
+/// present, then runs `uv sync --locked --group <cuda12|cuda13>` (matching the
+/// detected CUDA major) and prints next-step hints.
 fn run_setup_python() -> Result<()> {
     if find_cuda().is_none() {
         eprintln!("Error: CUDA toolkit not found.");
@@ -239,17 +240,27 @@ fn run_setup_python() -> Result<()> {
     Ok(())
 }
 
-/// Run `uv sync --locked --group cuda` to install Python CUDA packages.
+/// Pick the CUDA-major dependency group (`cuda12` / `cuda13`) for the detected
+/// toolkit, defaulting to `cuda13` (the recommended, latest path).
+pub(super) fn cuda_python_group() -> &'static str {
+    let is_cuda12 = find_cuda()
+        .and_then(|path| get_cuda_version(&path).ok())
+        .is_some_and(|version| version.split('.').next() == Some("12"));
+    if is_cuda12 { "cuda12" } else { "cuda13" }
+}
+
+/// Run `uv sync --locked --group <cuda12|cuda13>` to install Python CUDA packages.
 ///
 /// Reusable from other CLI commands (e.g. `pecos setup`) once they've already
 /// confirmed the user wants this. Does NOT validate toolkit presence -- caller
 /// is responsible for that check.
 pub(super) fn install_cuda_python_packages() -> Result<()> {
-    println!("Installing CUDA Python packages (cupy, cuquantum, pytket-cutensornet)...");
+    let group = cuda_python_group();
+    println!("Installing CUDA Python packages (cupy, cuquantum, pytket-cutensornet) [{group}]...");
     println!();
 
     let status = Command::new("uv")
-        .args(["sync", "--locked", "--group", "cuda"])
+        .args(["sync", "--locked", "--group", group])
         .status();
 
     match status {
@@ -263,7 +274,7 @@ pub(super) fn install_cuda_python_packages() -> Result<()> {
             eprintln!("Failed to install CUDA Python packages.");
             eprintln!();
             eprintln!("You may need to install manually:");
-            eprintln!("  uv sync --locked --group cuda");
+            eprintln!("  uv sync --locked --group {group}");
             Err(Error::Cuda(
                 "Failed to install CUDA Python packages".to_string(),
             ))

crates/pecos-cli/src/cli/setup_cmd.rs

@@ -131,7 +131,7 @@ fn print_status_summary(skip_llvm: bool, skip_cuda: bool, skip_cmake: bool) {
         if super::cuda_cmd::cuda_python_packages_installed() {
             println!("  cupy:       installed (CUDA Python packages synced)");
         } else {
-            println!("  cupy:       not installed (~500 MB via `uv sync --locked --group cuda`)");
+            println!("  cupy:       not installed (~500 MB via `pecos cuda setup-python`)");
         }
     }
 
@@ -353,7 +353,7 @@ fn setup_cuda_python(mode: PromptMode) -> Result<()> {
     }
 
     if confirm(
-        "Install CUDA Python packages? (cupy, cuquantum, pytket-cutensornet via `uv sync --locked --group cuda`)",
+        "Install CUDA Python packages? (cupy, cuquantum, pytket-cutensornet via `pecos cuda setup-python`)",
         true, // default yes when CUDA toolkit + NVIDIA GPU are present
         mode,
     ) {

docs/development/DEVELOPMENT.md

@@ -62,10 +62,12 @@ For developers who want to contribute or modify PECOS:
    |---------------|-------------------------------------------------------------|-------------------------------|
    | `examples`    | Running notebooks under `examples/` or DataFrame benchmarks | `uv sync --group examples`    |
    | `numpy-compat`| Verifying older NumPy/SciPy minimums                        | `uv sync --group numpy-compat`|
-   | `cuda`        | Building/running GPU simulators (requires CUDA toolkit)     | `uv sync --group cuda`        |
+   | `cuda13`      | GPU simulators on CUDA 13 (Turing/CC 7.5+; requires CUDA toolkit) | `uv sync --group cuda13`  |
+   | `cuda12`      | GPU simulators on CUDA 12 (incl. V100/Volta)               | `uv sync --group cuda12`      |
 
    Combine groups with multiple `--group` flags
-   (e.g. `uv sync --group examples --group cuda`).
+   (e.g. `uv sync --group examples --group cuda13`). Pick one CUDA major --
+   `cuda12` and `cuda13` are mutually exclusive.
 
 6. **LLVM 14 Setup (Required for LLVM IR/QIS Support)**
 

docs/user-guide/cuda-setup.md

@@ -31,7 +31,10 @@ Both approaches require:
 
 ### Hardware Requirements
 
-- **NVIDIA GPU** with Compute Capability 7.0 or higher
+- **NVIDIA GPU** with Compute Capability **7.5 or higher** (Turing and newer) for the
+  default CUDA 13 path. Current cuStateVec (cuQuantum >= 25.09) and CUDA 13 dropped
+  Volta, so **V100 / CC 7.0** is supported only via the CUDA 12 path with an older,
+  Volta-capable cuQuantum pinned `cuquantum-python-cu12>=25.3,<25.9` (see below).
   - To check your GPU: `nvidia-smi`
   - To check compute capability: Visit [NVIDIA's GPU Compute Capability List](https://developer.nvidia.com/cuda-gpus)
 
@@ -119,22 +122,27 @@ If `nvcc` is not found, ensure CUDA's bin directory is in your PATH.
 PECOS uses `uv` as the package manager. Install the CUDA-related Python packages:
 
 ```bash
-# Install CUDA 13 packages
-uv pip install cupy-cuda13x>=13.0.0
-uv pip install cuquantum-python-cu13>=25.3.0
-uv pip install pytket-cutensornet>=0.12.0
+# CUDA 13 (Turing / CC 7.5+ GPUs):
+uv pip install "cupy-cuda13x>=13.0.0" "cuquantum-python-cu13>=25.9.0" "pytket-cutensornet>=0.12.0"
+
+# CUDA 12:
+uv pip install "cupy-cuda12x>=13.0.0" "cuquantum-python-cu12>=25.3.0" "pytket-cutensornet>=0.12.0"
 ```
 
-**Important**: Use packages matching your CUDA version:
-- For CUDA 13: `cupy-cuda13x`, `cuquantum-python-cu13`
-- For CUDA 12: `cupy-cuda12x`, `cuquantum-python-cu12`
+**Important**:
+- Install packages matching your CUDA major (CUDA 13 -> `*-cu13` / `*-cuda13x`; CUDA 12 -> `*-cu12` / `*-cuda12x`). Do **not** install both.
+- PECOS requires the **`cuquantum.bindings` API (cuQuantum >= 25.03)**; older cuQuantum is rejected with a clear error when you use `CuStateVec`. The lowest CUDA 13 wheel is `25.9.0`.
+- **V100 / Volta (CC 7.0)**: pin `cuquantum-python-cu12>=25.3,<25.9` (cuStateVec dropped Volta at 25.09).
 
 ### Step 5: Install PECOS with CUDA Support
 
 #### Option A: Install from PyPI with CUDA extras
 
 ```bash
-uv pip install quantum-pecos[cuda]
+# CUDA 13 (recommended); use [cuda12] for CUDA 12. These pull the Python cuStateVec
+# / MPS stack (CuPy + cuquantum-python). The Rust GPU backend is a separate install
+# (see "Rust cuQuantum Bindings Setup" below): pip install pecos-rslib-cuda
+uv pip install "quantum-pecos[cuda13]"
 ```
 
 #### Option B: Install from source (for development)
@@ -148,8 +156,8 @@ just build-cuda  # Build with CUDA support
 just devc        # Full dev cycle: clean + build-cuda + test
 just devcl       # Dev cycle + linting
 
-# Option 2: Manual installation
-uv pip install -e "./python/quantum-pecos[all,cuda]"
+# Option 2: Manual installation (use [all,cuda12] for CUDA 12)
+uv pip install -e "./python/quantum-pecos[all,cuda13]"
 ```
 
 ## Verification
@@ -203,14 +211,15 @@ uv run pytest python/quantum-pecos/tests/pecos/integration/state_sim_tests/test_
 
 ## Package Versions
 
-Current recommended versions (as of 2025):
+Minimum versions (CUDA 13 path shown; for CUDA 12 use the `-cu12` / `-cuda12x` equivalents):
+
+| Package | Minimum | Purpose |
+|---------|---------|---------|
+| cupy-cuda13x | 13.0.0 | NumPy/SciPy for GPU |
+| cuquantum-python-cu13 | 25.9.0 | cuQuantum Python API (the `cuquantum.bindings >= 25.03` surface; lowest cu13 wheel is 25.9.0) |
+| pytket-cutensornet | 0.12.0 | MPS simulator |
 
-| Package | Version | Release Date | Purpose |
-|---------|---------|--------------|---------|
-| cupy-cuda13x | 13.6.0+ | Aug 2025 | NumPy/SciPy for GPU |
-| cuquantum-python-cu13 | 25.9.0+ | Sept 2025 | cuQuantum Python API |
-| custatevec-cu13 | 1.10.0+ | Sept 2025 | State vector operations (included in cuquantum) |
-| pytket-cutensornet | 0.12.0+ | 2025 | MPS simulator |
+For CUDA 12 the floor is `cuquantum-python-cu12>=25.3.0`; **V100/Volta** needs `>=25.3,<25.9`.
 
 ## Troubleshooting
 
@@ -226,20 +235,27 @@ export LD_LIBRARY_PATH=/usr/local/cuda-13/lib64:$LD_LIBRARY_PATH
 source ~/.bashrc
 ```
 
-#### 2. `CuStateVec is None` or tests are skipped
+#### 2. `CuStateVec` unavailable / constructing it raises
 
-**Solution**: Python packages not properly installed or CUDA Toolkit version mismatch.
+`import pecos` always works, but constructing `CuStateVec` (or
+`QuantumSimulator("CuStateVec")`) without CuPy and a bindings-era cuQuantum raises
+an actionable error naming what to install/upgrade. PECOS requires the
+`cuquantum.bindings` API (cuQuantum >= 25.03); the legacy top-level
+`cuquantum.custatevec` is not used.
 
 ```bash
-# Verify installations
-python -c "import cupy; print(cupy.__version__)"
-python -c "from cuquantum import custatevec; print('OK')"
+# Ask PECOS directly (no GPU needed):
+python -c "from pecos.simulators.custatevec._cuquantum_compat import custatevec_available, custatevec_unavailable_reason; print(custatevec_available(), '|', custatevec_unavailable_reason())"
 
-# Reinstall if needed
-uv pip uninstall cupy-cuda13x cuquantum-python-cu13
-uv pip install cupy-cuda13x cuquantum-python-cu13
+# Or check the underlying packages:
+python -c "import cupy; print(cupy.__version__)"
+python -c "from cuquantum.bindings import custatevec; print('OK')"
 ```
 
+If the reason says cuQuantum "predates the cuquantum.bindings API", upgrade to
+`cuquantum-python-cu13>=25.9.0` (CUDA 13) or `cuquantum-python-cu12>=25.3.0`
+(CUDA 12; V100/Volta `>=25.3,<25.9`).
+
 #### 3. CUDA version mismatch errors
 
 **Problem**: Mixing CUDA 12 and CUDA 13 packages.
@@ -281,7 +297,7 @@ If you encounter issues:
 1. Check [NVIDIA cuQuantum Documentation](https://docs.nvidia.com/cuda/cuquantum/latest/)
 2. Check [pytket-cutensornet GitHub Issues](https://github.com/Quantinuum/pytket-cutensornet/issues)
 3. Check [PECOS GitHub Issues](https://github.com/PECOS-packages/PECOS/issues)
-4. Verify your GPU compute capability is 7.0 or higher
+4. Verify your GPU compute capability is 7.5+ (CUDA 13) or 7.0 (V100 via the capped CUDA 12 path)
 
 ## Alternative: Using Conda
 
@@ -451,12 +467,12 @@ To use GPU simulators in PECOS:
 
 ### Option A: Python cuQuantum Bindings (Easier Setup)
 
-1. **Verify NVIDIA GPU** (Compute Capability 7.0+)
-2. **Install CUDA Toolkit 13** (system-level)
-3. **Install Python packages**: `cupy-cuda13x`, `cuquantum-python-cu13`, `pytket-cutensornet`
-4. **Install PECOS with `[cuda]` extras**:
+1. **Verify NVIDIA GPU** (Compute Capability 7.5+ for CUDA 13; V100/CC 7.0 only via the capped CUDA 12 path)
+2. **Install CUDA Toolkit 13** (system-level; or CUDA 12)
+3. **Install Python packages**: `cupy-cuda13x`, `cuquantum-python-cu13`, `pytket-cutensornet` (or the `-cu12`/`-cuda12x` equivalents)
+4. **Install PECOS with the matching CUDA extra**:
    ```bash
-   uv pip install quantum-pecos[cuda]
+   uv pip install "quantum-pecos[cuda13]"   # or [cuda12] for CUDA 12
    # or for development:
    just build-cuda
    ```

docs/user-guide/qec-guppy.md

@@ -389,7 +389,7 @@ results = (
     .quantum(state_vector())
     .noise(depolarizing_noise().with_uniform_probability(0.001))
     .seed(42)
-    .run(1000)
+    .run(100)
 )
 ```
 

docs/user-guide/simulators.md

@@ -254,7 +254,8 @@ results = sim(Qasm(circuit)).quantum(CuStateVec).run(100)
 - cuQuantum and cupy packages
 
 ```bash
-pip install quantum-pecos[cuda]
+# CUDA 13 (recommended); use [cuda12] for CUDA 12 / V100. Do not install both.
+pip install "quantum-pecos[cuda13]"
 ```
 
 See [CUDA Setup Guide](cuda-setup.md) for detailed installation instructions.

pyproject.toml

@@ -7,9 +7,11 @@ requires-python = ">=3.10"
 dependencies = []
 
 [project.optional-dependencies]
-# Keep this in sync with the cuda dependency group below. The extra supports
-# `uv sync --extra cuda`; the group supports `uv run --group cuda ...`.
-cuda = ["quantum-pecos[cuda]==0.8.0.dev8"]
+# Keep these in sync with the cuda dependency groups below. The extras support
+# `uv sync --extra cuda13`; the groups support `uv run --group cuda13 ...`.
+# Pick the extra matching your CUDA major -- do not install both.
+cuda13 = ["quantum-pecos[cuda13]==0.8.0.dev8"]
+cuda12 = ["quantum-pecos[cuda12]==0.8.0.dev8"]
 
 [tool.uv.workspace]
 members = [
@@ -67,12 +69,22 @@ numpy-compat = [ # NumPy/SciPy compatibility tests - verify compatibility with s
   "numpy>=1.15.0",
   "scipy>=1.1.0",
 ]
-cuda = [ # CUDA Python packages for GPU-accelerated simulations (requires CUDA toolkit)
-  "quantum-pecos[cuda]==0.8.0.dev8",
+cuda13 = [ # CUDA 13 Python packages for GPU-accelerated simulations (requires CUDA toolkit)
+  "quantum-pecos[cuda13]==0.8.0.dev8",
+]
+cuda12 = [ # CUDA 12 Python packages for GPU-accelerated simulations
+  "quantum-pecos[cuda12]==0.8.0.dev8",
 ]
 
 [tool.uv]
 default-groups = ["dev", "test"]
+# CUDA 12 and CUDA 13 stacks are mutually exclusive (separate cupy/cuquantum
+# wheels per CUDA major). Declare them conflicting so the lock never co-resolves
+# both -- co-resolution downgrades cu12 to satisfy cu13.
+conflicts = [
+  [{ extra = "cuda12" }, { extra = "cuda13" }],
+  [{ group = "cuda12" }, { group = "cuda13" }],
+]
 # Prevent uv from caching native workspace wheels - always use freshly built versions.
 # This fixes stale code issues when uv sync/run reinstalls cached old wheels.
 # See: https://github.com/astral-sh/uv/issues/11390

python/quantum-pecos/README.md

@@ -178,7 +178,8 @@ Certain simulators from `pecos.simulators` require external packages that are no
 
 **Quick install** (after installing CUDA Toolkit):
 ```bash
-uv pip install quantum-pecos[cuda]
+# CUDA 13 (recommended); use [cuda12] for CUDA 12 / V100. Do not install both.
+uv pip install "quantum-pecos[cuda13]"
 
 # For development with CUDA support:
 make build-cuda  # Build with CUDA

python/quantum-pecos/pyproject.toml

@@ -70,26 +70,37 @@ all = [
     "quantum-pecos[stim]",
 ]
 
-# CUDA dependencies. See docs/user-guide/cuda-setup.md for detailed installation instructions
-# Requires CUDA Toolkit 13 or 12 installed at system level first.
-# For Ubuntu/Pop!_OS: sudo apt install cuda-toolkit-13
-# These packages work with uv/pip once CUDA toolkit is installed.
-# Note: CUDA packages require Python 3.11+ due to cuquantum-python-cu13 requirements
-cuda = [
-    "pecos-rslib-cuda==0.8.0.dev8",
-    "cupy-cuda13x>=13.0.0; python_version >= '3.11'",  # Use cupy-cuda12x for CUDA 12
-    "cuquantum-python-cu13>=25.3.0; python_version >= '3.11'",  # Use cuquantum-python-cu12 for CUDA 12
+# CUDA dependencies for the Python cuStateVec / MPS backends. See
+# docs/user-guide/cuda-setup.md. Requires a system CUDA toolkit and a matching NVIDIA
+# driver. Pick the extra matching your CUDA major -- do NOT install both (mixing
+# cupy-cudaXXx wheels is unsupported). Python 3.11+ required.
+#   uv pip install -e .[cuda13]   # CUDA 13, Turing/CC 7.5+ GPUs (recommended)
+#   uv pip install -e .[cuda12]   # CUDA 12
+# V100/Volta (CC 7.0): cuStateVec dropped Volta at 25.09, so pin
+#   cuquantum-python-cu12>=25.3,<25.9 manually (see cuda-setup.md).
+# The Rust GPU backend (CudaStateVec/CudaStabilizer) is a separate install:
+#   pip install pecos-rslib-cuda
+cuda13 = [
+    "cupy-cuda13x>=13.0.0; python_version >= '3.11'",
+    "cuquantum-python-cu13>=25.9.0; python_version >= '3.11'",
+    "pytket-cutensornet>=0.12.0; python_version >= '3.11'",
+]
+cuda12 = [
+    "cupy-cuda12x>=13.0.0; python_version >= '3.11'",
+    "cuquantum-python-cu12>=25.3.0; python_version >= '3.11'",
     "pytket-cutensornet>=0.12.0; python_version >= '3.11'",
 ]
-# Install with: uv pip install -e .[cuda]
 
 # Dependency groups are defined at workspace root (pyproject.toml)
 # Package-specific groups can be added here if needed
 
+[tool.uv]
+# CUDA 12 and CUDA 13 use different, mutually exclusive cupy/cuquantum wheels.
+conflicts = [[{ extra = "cuda12" }, { extra = "cuda13" }]]
+
 [tool.uv.sources]
 pecos-rslib = { workspace = true }
 pecos-rslib-llvm = { workspace = true }
-pecos-rslib-cuda = { workspace = true }
 
 [tool.hatch.build.targets.wheel]
 packages = ["src/pecos"]