Merge from upstream 2025-08-06

.ci/env

@@ -1 +1 @@
-SPACK_CHECKOUT_VERSION=8bfe963d9b4f1f05fa49341f0df760125be1b891
+SPACK_CHECKOUT_VERSION=982e400c0a74a20a00f71008cc3b4a03c218cf09

.ci/gitlab/stacks/e4s/spack.yaml

@@ -48,6 +48,8 @@ spack:
       variants: +pic +xz
     openblas:
       variants: threads=openmp
+    rocblas:
+      require: ~hipblaslt #hangs in ci
     trilinos:
       variants: +amesos +amesos2 +anasazi +aztec +belos +boost +epetra +epetraext
         +ifpack +ifpack2 +intrepid +intrepid2 +isorropia +kokkos +ml +minitensor +muelu
@@ -361,22 +363,22 @@ spack:
   - chai +rocm amdgpu_target=gfx90a
   - ecp-data-vis-sdk ~paraview +vtkm +rocm amdgpu_target=gfx90a # +paraview: CMake Error at VTK/ThirdParty/vtkm/vtkvtkm/vtk-m/CMakeLists.txt:272 (find_package): Could not find a package configuration file provided by "rocthrust" with any of the following names: rocthrustConfig.cmake rocthrust-config.cmake
   - gasnet +rocm amdgpu_target=gfx90a
-#   - ginkgo +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
+  - ginkgo +rocm amdgpu_target=gfx90a
   - heffte +rocm amdgpu_target=gfx90a
   - hpx +rocm amdgpu_target=gfx90a
-#   - hypre +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
+  - hypre +rocm amdgpu_target=gfx90a
   - kokkos +rocm amdgpu_target=gfx90a
   - lammps +rocm amdgpu_target=gfx90a
   - legion +rocm amdgpu_target=gfx90a
-#   - libceed +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
-#   - magma ~cuda +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
-#   - mfem +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
+  - libceed +rocm amdgpu_target=gfx90a
+  - magma ~cuda +rocm amdgpu_target=gfx90a
+  - mfem +rocm amdgpu_target=gfx90a
   - raja ~openmp +rocm amdgpu_target=gfx90a
-#   - slate +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
-#   - strumpack ~slate +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
+  - slate +rocm amdgpu_target=gfx90a
+  - strumpack ~slate +rocm amdgpu_target=gfx90a
   - sundials +rocm amdgpu_target=gfx90a
-#   - superlu-dist +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
-#   - tasmanian ~openmp +rocm amdgpu_target=gfx90a  # removed due to transitive hipblaslt dep
+  - superlu-dist +rocm amdgpu_target=gfx90a
+  - tasmanian ~openmp +rocm amdgpu_target=gfx90a
   - trilinos +amesos +amesos2 +anasazi +aztec +belos +boost +epetra +epetraext +ifpack ~ifpack2 +intrepid +intrepid2 +isorropia +kokkos +ml +minitensor +muelu +nox +piro +phalanx +rol +rythmos +sacado +stk +shards +shylu ~stokhos +stratimikos +teko +tempus +tpetra +trilinoscouplings +zoltan +zoltan2 +superlu-dist gotype=long_long +rocm amdgpu_target=gfx90a
   - umpire +rocm amdgpu_target=gfx90a
   - upcxx +rocm amdgpu_target=gfx90a

.ci/gitlab/stacks/tutorial/spack.yaml

@@ -21,7 +21,7 @@ spack:
         - hdf5+hl+mpi ^mpich
         - trilinos
         - trilinos +hdf5 ^hdf5+hl+mpi ^mpich
-        - gcc@12
+        - gcc@12.3
         - mpileaks
         - lmod@8.7.18
         - environment-modules

.github/labels.yml

@@ -21,6 +21,11 @@ update-package:
     - 'modified'
     - 'renamed'
 
+remove-package:
+  filename: '^repos/spack_repo/builtin/packages/[^/]+/package.py$'
+  status:
+    - 'removed'
+
 maintainers:
   patch: '[+-] +maintainers +='
 

.github/workflows/audit.yaml

@@ -31,7 +31,7 @@ jobs:
         python-version: ${{inputs.python_version}}
     - name: Install Python packages
       run: |
-        pip install --upgrade pip setuptools pytest coverage[toml]
+        python -m pip install --upgrade pip setuptools pytest coverage[toml]
     - name: Setup for Windows run
       if: runner.os == 'Windows'
       run: |

.github/workflows/bin/canonicalize.py

@@ -0,0 +1,148 @@
+#!/usr/bin/env python3
+# Copyright Spack Project Developers. See COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+import argparse
+import ast
+import os
+import subprocess
+import sys
+from itertools import product
+from typing import List
+
+
+def run_git_command(*args: str, dir: str) -> None:
+    """Run a git command in the output directory."""
+    subprocess.run(
+        [
+            "git",
+            "-c",
+            "user.email=example@example.com",
+            "-c",
+            "user.name=Example",
+            "-c",
+            "init.defaultBranch=main",
+            "-c",
+            "color.ui=always",
+            "-C",
+            dir,
+            *args,
+        ],
+        check=True,
+        stdout=sys.stdout,
+        stderr=sys.stderr,
+    )
+
+
+def run(root: str, output_dir: str) -> None:
+    """Recurse over a directory and canonicalize all Python files."""
+    from spack.util.package_hash import RemoveDocstrings, unparse
+
+    count = 0
+    stack = [root]
+
+    while stack:
+        current = stack.pop()
+        for entry in os.scandir(current):
+            if entry.is_dir(follow_symlinks=False):
+                stack.append(entry.path)
+            elif entry.is_file(follow_symlinks=False) and entry.name.endswith(".py"):
+                try:
+                    with open(entry.path, "r") as f:
+                        src = f.read()
+                except OSError:
+                    continue
+
+                canonical_dir = os.path.join(output_dir, os.path.relpath(current, root))
+                os.makedirs(canonical_dir, exist_ok=True)
+                with open(os.path.join(canonical_dir, entry.name), "w") as f:
+                    f.write(
+                        unparse(RemoveDocstrings().visit(ast.parse(src)), py_ver_consistent=True)
+                    )
+                count += 1
+
+    assert count > 0, "No Python files found in the specified directory."
+
+
+def compare(
+    input_dir: str, output_dir: str, python_versions: List[str], spack_versions: List[str]
+) -> None:
+    """Compare canonicalized files across different Python versions and error if they differ."""
+    # Create a git repo in output_dir to track changes
+    os.makedirs(output_dir, exist_ok=True)
+    run_git_command("init", dir=output_dir)
+
+    pairs = list(product(spack_versions, python_versions))
+
+    if len(pairs) < 2:
+        raise ValueError("At least two Python or two Spack versions must be given for comparison.")
+
+    changes_with_previous: List[int] = []
+
+    for i, (spack_dir, python_exe) in enumerate(pairs):
+        print(f"\033[1;97mCanonicalizing with {python_exe} and {spack_dir}...\033[0m", flush=True)
+
+        # Point PYTHONPATH to the given Spack library for the subprocess
+        if not os.path.isdir(spack_dir):
+            raise ValueError(f"Invalid Spack dir: {spack_dir}")
+        env = os.environ.copy()
+        spack_pythonpath = os.path.join(spack_dir, "lib", "spack")
+        if "PYTHONPATH" in env and env["PYTHONPATH"]:
+            env["PYTHONPATH"] = f"{spack_pythonpath}{os.pathsep}{env['PYTHONPATH']}"
+        else:
+            env["PYTHONPATH"] = spack_pythonpath
+
+        subprocess.run(
+            [python_exe, __file__, "--run", "--input-dir", input_dir, "--output-dir", output_dir],
+            check=True,
+            stdout=sys.stdout,
+            stderr=sys.stderr,
+            env=env,
+        )
+        if i > 0:
+            try:
+                run_git_command("diff", "--exit-code", "HEAD", dir=output_dir)
+            except subprocess.CalledProcessError:
+                changes_with_previous.append(i)
+
+        # The first run creates a commit for reference
+        run_git_command("add", ".", dir=output_dir)
+        run_git_command(
+            "commit",
+            "--quiet",
+            "--allow-empty",  # makes this idempotent when running locally
+            "-m",
+            f"Canonicalized with {python_exe} and {spack_dir}",
+            dir=output_dir,
+        )
+
+    for i in changes_with_previous:
+        previous_spack, previous_python = pairs[i - 1]
+        current_spack, current_python = pairs[i]
+        print(
+            f"\033[1;31mChanges detected between {previous_python} ({previous_spack}) and "
+            f"{current_python} ({current_spack})\033[0m"
+        )
+
+    if changes_with_previous:
+        exit(1)
+
+
+if __name__ == "__main__":
+    parser = argparse.ArgumentParser(description="Canonicalize Spack package files.")
+    parser.add_argument("--run", action="store_true", help="Generate canonicalized sources.")
+    parser.add_argument("--spack", nargs="+", help="Specify one or more Spack versions.")
+    parser.add_argument("--python", nargs="+", help="Specify one or more Python versions.")
+    parser.add_argument("--input-dir", type=str, required=True, help="A repo's packages dir.")
+    parser.add_argument(
+        "--output-dir",
+        type=str,
+        required=True,
+        help="The output directory for canonicalized package files.",
+    )
+    args = parser.parse_args()
+
+    if args.run:
+        run(args.input_dir, args.output_dir)
+    else:
+        compare(args.input_dir, args.output_dir, args.python, args.spack)

.github/workflows/prechecks.yml

@@ -73,3 +73,22 @@ jobs:
       run: |
         . spack-core/share/spack/setup-env.sh
         spack ci verify-versions HEAD~1 HEAD
+
+  canonicalization:
+    name: package.py canonicalization
+    runs-on: ubuntu-latest
+    container:
+      image: ghcr.io/spack/all-pythons:2025-07-25
+
+    steps:
+      - uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683
+        with:
+          fetch-depth: 0
+      - uses: ./.github/actions/checkout-spack
+
+      - name: Test package.py canonicalization
+        run: .github/workflows/bin/canonicalize.py
+          --spack $PWD/spack-core
+          --python python3.6 python3.7 python3.8 python3.9 python3.10 python3.11 python3.12 python3.13
+          --input-dir repos/spack_repo/builtin/packages/
+          --output-dir canonicalized