Update PennyLane and PennyLane Lightning (#35406)

4 files changed, 158 insertions, 20 deletions

diff --git a/var/spack/repos/builtin/packages/py-flaky/package.py b/var/spack/repos/builtin/packages/py-flaky/package.py
new file mode 100644
index 0000000000..7f83219c32
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-flaky/package.py
@@ -0,0 +1,17 @@
+# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack.package import *
+
+
+class PyFlaky(PythonPackage):
+    """Flaky is a plugin for nose or pytest that automatically reruns flaky tests."""
+
+    homepage = "https://github.com/box/flaky"
+    pypi = "flaky/flaky-3.7.0.tar.gz"
+
+    version("3.7.0", sha256="3ad100780721a1911f57a165809b7ea265a7863305acb66708220820caf8aa0d")
+
+    depends_on("py-setuptools", type=("build"))
diff --git a/var/spack/repos/builtin/packages/py-pennylane-lightning/package.py b/var/spack/repos/builtin/packages/py-pennylane-lightning/package.py
index c834c94beb..d58b682587 100644
--- a/var/spack/repos/builtin/packages/py-pennylane-lightning/package.py
+++ b/var/spack/repos/builtin/packages/py-pennylane-lightning/package.py
@@ -7,20 +7,114 @@
 from spack.package import *
 
 
-class PyPennylaneLightning(PythonPackage):
-    """PennyLane-Lightning plugin"""
+class PyPennylaneLightning(CMakePackage, PythonExtension):
+    """The PennyLane-Lightning plugin provides a fast state-vector simulator written in C++."""
 
-    homepage = "https://github.com/PennyLaneAI/pennylane-lightning"
-    url = "https://github.com/PennyLaneAI/pennylane-lightning/archive/refs/tags/v0.28.0.tar.gz"
-    # using github for now, because pypi tarball is missing the CMakeLists.txt file
-    # pypi = "PennyLane-Lightning/PennyLane-Lightning-0.28.0.tar.gz"
+    homepage = "https://docs.pennylane.ai/projects/lightning"
+    git = "https://github.com/PennyLaneAI/pennylane-lightning.git"
+    url = "https://github.com/PennyLaneAI/pennylane-lightning/archive/refs/tags/v0.28.2.tar.gz"
 
-    version("0.28.0", sha256="f5849c2affb5fb57aca20feb40ca829d171b07db2304fde0a37c2332c5b09e18")
+    maintainers("mlxd", "AmintorDusko")
+
+    version("master", branch="master")
+    version("0.29.0", sha256="da9912f0286d1a54051cc19cf8bdbdcd732795636274c95f376db72a88e52d85")
+    version(
+        "0.28.0",
+        sha256="f5849c2affb5fb57aca20feb40ca829d171b07db2304fde0a37c2332c5b09e18",
+        deprecated=True,
+    )  # on Spack v0.19.0
+
+    variant("blas", default=True, description="Build with BLAS support")
+    variant(
+        "dispatcher",
+        default=True,
+        description="Build with AVX2/AVX512 gate automatic dispatching support",
+    )
+    variant("kokkos", default=True, description="Build with Kokkos support")
+    variant("openmp", default=True, description="Build with OpenMP support")
+
+    variant("native", default=False, description="Build natively for given hardware")
+    variant("verbose", default=False, description="Build with full verbosity")
+
+    variant("cpptests", default=False, description="Build CPP tests")
+    variant("cppbenchmarks", default=False, description="Build CPP benchmark examples")
+
+    variant(
+        "build_type",
+        default="Release",
+        description="CMake build type",
+        values=("Debug", "Release", "RelWithDebInfo", "MinSizeRel"),
+    )
+
+    extends("python")
+
+    # hard dependencies
+    depends_on("cmake@3.21:3.24,3.25.2:", type="build")
+    depends_on("ninja", type=("run", "build"))
+
+    # variant defined dependencies
+    depends_on("blas", when="+blas")
+    depends_on("kokkos@3.7.00", when="+kokkos")
+    depends_on("kokkos-kernels@3.7.00", when="+kokkos")
+    depends_on("llvm-openmp", when="+openmp %apple-clang")
 
     depends_on("python@3.8:", type=("build", "run"))
     depends_on("py-setuptools", type="build")
-    depends_on("cmake@3.16:", type="build")
-
-    depends_on("py-ninja", type=("build", "run"))
     depends_on("py-numpy", type=("build", "run"))
-    # depends_on("py-pennylane@0.19:", type=("build", "run"))  # circular dependency
+    depends_on("py-pybind11", type=("build"))
+    depends_on("py-pip", type="build")
+    depends_on("py-wheel", type="build")
+    # depends_on("py-pennylane@0.28:", type=("build", "run"))  # circular dependency
+
+
+class CMakeBuilder(spack.build_systems.cmake.CMakeBuilder):
+    build_directory = "build"
+
+    def cmake_args(self):
+        """
+        Here we specify all variant options that can be dynamicaly specified at build time
+        """
+        args = [
+            self.define_from_variant("ENABLE_OPENMP", "openmp"),
+            self.define_from_variant("ENABLE_NATIVE", "native"),
+            self.define_from_variant("ENABLE_BLAS", "blas"),
+            self.define_from_variant("CMAKE_VERBOSE_MAKEFILE:BOOL", "verbose"),
+            self.define_from_variant("BUILD_TESTS", "cpptests"),
+            self.define_from_variant("BUILD_BENCHMARKS", "cppbenchmarks"),
+            self.define_from_variant("ENABLE_GATE_DISPATCHER", "dispatcher"),
+        ]
+
+        if "+kokkos" in self.spec:
+            args += [
+                "-DENABLE_KOKKOS=ON",
+                f"-DKokkos_Core_DIR={self.spec['kokkos'].home}",
+                f"-DKokkos_Kernels_DIR={self.spec['kokkos-kernels'].home}",
+            ]
+        else:
+            args += ["-DENABLE_KOKKOS=OFF"]
+
+        return args
+
+    def build(self, pkg, spec, prefix):
+        super().build(pkg, spec, prefix)
+        cm_args = ";".join(
+            [
+                s[2:]
+                for s in self.cmake_args()
+                if s[2:] not in ["BUILD_TESTS:BOOL=ON", "BUILD_BENCHMARKS:BOOL=ON"]
+            ]
+        )
+        args = ["-i", f"--define={cm_args}"]
+        python("setup.py", "build_ext", *args)
+
+    def install(self, pkg, spec, prefix):
+        pip_args = std_pip_args + ["--prefix=" + prefix, "."]
+        pip(*pip_args)
+        super().install(pkg, spec, prefix)
+
+    @run_after("install")
+    @on_package_attributes(run_tests=True)
+    def test_lightning_build(self):
+        with working_dir(self.stage.source_path):
+            pl_runner = Executable(self.prefix.bin.pennylane_lightning_test_runner)
+            pl_runner()
diff --git a/var/spack/repos/builtin/packages/py-pennylane/package.py b/var/spack/repos/builtin/packages/py-pennylane/package.py
index 4b2332847e..93c1a790e8 100644
--- a/var/spack/repos/builtin/packages/py-pennylane/package.py
+++ b/var/spack/repos/builtin/packages/py-pennylane/package.py
@@ -10,12 +10,19 @@ from spack.package import *
 class PyPennylane(PythonPackage):
     """PennyLane is a Python quantum machine learning library by Xanadu Inc."""
 
-    homepage = "https://github.com/XanaduAI/pennylane"
+    homepage = "https://docs.pennylane.ai/"
+    git = "https://github.com/PennyLaneAI/pennylane.git"
     pypi = "PennyLane/PennyLane-0.28.0.tar.gz"
 
-    maintainers("marcodelapierre")
+    maintainers("mlxd", "AmintorDusko", "marcodelapierre")
 
-    version("0.28.0", sha256="2a6100c00277c1eb59eab6856cdad7b1237e9d1fbda98b1e15020bd5a64b10a8")
+    version("master", branch="master")
+    version("0.29.1", sha256="c5d662994b741afa69e4fdadc79a1b75840275138a8b7e0cfc5fd64b66a12eef")
+    version(
+        "0.28.0",
+        sha256="2a6100c00277c1eb59eab6856cdad7b1237e9d1fbda98b1e15020bd5a64b10a8",
+        deprecated=True,
+    )
 
     depends_on("python@3.8:", type=("build", "run"))
     depends_on("py-setuptools", type="build")
@@ -30,5 +37,21 @@ class PyPennylane(PythonPackage):
     depends_on("py-semantic-version@2.7:", type=("build", "run"))
     depends_on("py-autoray@0.3.1:", type=("build", "run"))
     depends_on("py-cachetools", type=("build", "run"))
-    depends_on("py-pennylane-lightning@0.28:", type=("build", "run"))
+    depends_on("py-pennylane-lightning@0.28.0:", type=("build", "run"))
     depends_on("py-requests", type=("build", "run"))
+
+    # Test deps
+    depends_on("py-pytest", type="test")
+    depends_on("py-pytest-xdist@3.2:", type="test")
+    depends_on("py-pytest-mock", type="test")
+    depends_on("py-flaky", type="test")
+
+    @run_after("install")
+    @on_package_attributes(run_tests=True)
+    def install_test(self):
+        with working_dir("tests"):
+            pl_dev_test = Executable(join_path(self.prefix, "bin", "pl-device-test"))
+            pl_dev_test("--device", "default.qubit", "--shots", "None", "--skip-ops")
+            pl_dev_test("--device", "default.qubit", "--shots", "10000", "--skip-ops")
+            pl_dev_test("--device", "lightning.qubit", "--shots", "None", "--skip-ops")
+            pl_dev_test("--device", "lightning.qubit", "--shots", "10000", "--skip-ops")
diff --git a/var/spack/repos/builtin/packages/py-pytest-xdist/package.py b/var/spack/repos/builtin/packages/py-pytest-xdist/package.py
index 6363451386..3c65b2da41 100644
--- a/var/spack/repos/builtin/packages/py-pytest-xdist/package.py
+++ b/var/spack/repos/builtin/packages/py-pytest-xdist/package.py
@@ -10,8 +10,9 @@ class PyPytestXdist(PythonPackage):
     """py.test xdist plugin for distributed testing and loop-on-failing mode"""
 
     homepage = "https://github.com/pytest-dev/pytest-xdist"
-    pypi = "pytest-xdist/pytest-xdist-1.30.0.tar.gz"
+    pypi = "pytest-xdist/pytest-xdist-3.2.0.tar.gz"
 
+    version("3.2.0", sha256="fa10f95a2564cd91652f2d132725183c3b590d9fdcdec09d3677386ecf4c1ce9")
     version("1.30.0", sha256="5d1b1d4461518a6023d56dab62fb63670d6f7537f23e2708459a557329accf48")
     version("1.29.0", sha256="3489d91516d7847db5eaecff7a2e623dba68984835dbe6cedb05ae126c4fb17f")
     version("1.27.0", sha256="a96ed691705882560fa3fc95531fbd4c224896c827f4004817eb2dcac4ba41a2")
@@ -20,11 +21,14 @@ class PyPytestXdist(PythonPackage):
     version("1.16.0", sha256="42e5a1e5da9d7cff3e74b07f8692598382f95624f234ff7e00a3b1237e0feba2")
 
     depends_on("python@2.7:2.8,3.4:", type=("build", "run"))
-    depends_on("py-setuptools", type="build")
+    depends_on("py-setuptools@45.0:", type="build", when="@3.2.0:")
+    depends_on("py-setuptools", type="build", when="@:1.30.0")
+    depends_on("py-setuptools-scm@6.2.3: +toml", type="build", when="@3.2.0:")
     depends_on("py-execnet@1.1:", type=("build", "run"))
-    depends_on("py-pytest@4.4.0:", type=("build", "run"), when="@1.28.0:")
+    depends_on("py-pytest@6.2.0:", type=("build", "run"), when="@3.2.0:")
+    depends_on("py-pytest@4.4.0:", type=("build", "run"), when="@1.28.0:1.30.0")
     depends_on("py-pytest@3.6.0:", type=("build", "run"), when="@1.25.0:1.27.0")
     depends_on("py-pytest@3.0.0:", type=("build", "run"), when="@1.18.0:1.24.0")
     depends_on("py-pytest@2.7.0:", type=("build", "run"), when="@1.16.0:1.17.0")
-    depends_on("py-pytest-forked", type=("build", "run"), when="@1.19.0:")
-    depends_on("py-six", type=("build", "run"), when="@1.23.0:")
+    depends_on("py-pytest-forked", type=("build", "run"), when="@1.19.0:1")
+    depends_on("py-six", type=("build", "run"), when="@1.23.0:1")