py-nugraph, ph5concat, py-numl: Add new nugraph packages (#47315)

var/spack/repos/builtin/packages/ph5concat/package.py

@@ -0,0 +1,35 @@
+# Copyright 2013-2024 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 Ph5concat(AutotoolsPackage):
+    """Parallel Data Concatenation for High Energy Physics Data Analysis"""
+
+    homepage = "https://github.com/NU-CUCIS/ph5concat"
+    url = "https://github.com/NU-CUCIS/ph5concat/archive/v1.1.0.tar.gz"
+
+    maintainers("vhewes")
+
+    version("1.1.0", sha256="cecc22325a56771cda1fc186e6bd1f9bde2957beca3fa9a387d55462efd5254f")
+
+    depends_on("autoconf", type="build")
+    depends_on("automake", type="build")
+    depends_on("libtool", type="build")
+
+    depends_on("zlib")
+    depends_on("hdf5+hl+mpi@1.10.4:1.12")
+    depends_on("mpich")
+
+    variant("profiling", default=False, description="Enable profiling support")
+
+    def setup_build_environment(self, env):
+        env.set("LIBS", "-ldl -lz")
+
+    def configure_args(self):
+        args = [f"--with-{pkg}={self.spec[pkg].prefix}" for pkg in ("hdf5", "mpich")]
+        args.extend(self.enable_or_disable("profiling"))
+        return args

var/spack/repos/builtin/packages/py-nugraph/package.py

@@ -0,0 +1,34 @@
+# Copyright 2013-2024 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 PyNugraph(PythonPackage):
+    """Graph Neural Network for neutrino physics event reconstruction"""
+
+    pypi = "nugraph/nugraph-24.7.1.tar.gz"
+
+    maintainers("vhewes")
+
+    license("MIT", checked_by="vhewes")
+
+    version("24.7.1", sha256="e1449e4a37049cc774ad026d4f2db339eb60bb59109a11920bb65a4061915de8")
+    version("24.7.0", sha256="b95d93a1cbcd280a3529ce4782ef778b982d9d4edcc19f522442c38144895f65")
+    version("24.4.0", sha256="5f888d065819b1ec7c33e7f829ad65eb963db2cf109a5d31b4caef49c004f86f")
+    version("24.2.0", sha256="4765ea73b384e95a38a598499e77d805541e415049da9f6f46193f8bc281208a")
+    version("23.11.1", sha256="b160996fca9615b2c7e6ed02fb780af5edaa97f6cdafd45abdf65ea0c7a6f2ca")
+    version("23.11.0", sha256="a1e01a8c3143fc8db2cf8a3584d192a738d89eb865b1d52cd2994b24bd4175ec")
+    version("23.10.0", sha256="8a0219318c6bd6d0d240e419ef88cdedd7e944276f0cce430d9ece423e06f1b8")
+
+    depends_on("py-flit-core", type="build")
+
+    depends_on("py-matplotlib")
+    depends_on("py-numl")
+    depends_on("py-pynvml")
+    depends_on("py-seaborn")
+    depends_on("py-pytorch-lightning")
+
+    extends("python")

var/spack/repos/builtin/packages/py-numl/package.py

@@ -0,0 +1,40 @@
+# Copyright 2013-2024 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 PyNuml(PythonPackage):
+    """Standardised ML input processing for particle physics"""
+
+    pypi = "pynuml/pynuml-24.7.1.tar.gz"
+
+    maintainers("vhewes")
+
+    license("MIT", checked_by="vhewes")
+
+    version("24.7.1", sha256="20d2f1a07887473e67c79ecc3804b8012e22b78883199fdb0d07bb1b725b6ab0")
+    version("24.7.0", sha256="d47f71ead6861278595b79d04c554da4998d5c4c50587e4c90231f50db0f2e81")
+    version("24.6.0", sha256="357d2b0e0b9ca179514d177278620e5ac57bed37bfb6d145c172150126432613")
+    version("23.11.0", sha256="1a7e61864cfeb0b27c6a93646c33e3f457bbc384eb86aee4df76b5e02898d02f")
+    version("23.9.0", sha256="77ea8c9df541351adeb249594cce27d742973ee82a0d7f2ad8cdcffa9d3fa6b1")
+    version("23.8.0", sha256="0896797f3f70b3a6d3d74f7a3e7fe5eaf59a2000a47ffc7ac08b73be0aa15706")
+    version("23.7.0", sha256="5449dd09a7e046d036e12c7971e61d2862cdb79c7932144b038288fc05ca50a8")
+    version("23.6.1", sha256="fdb23a9d4f1b83b06cc35b07608fe4c2e55f8307ac47851cccc21a20b69ab674")
+    version("23.6.0", sha256="fcc1546b9489584f2635f6418c5e1a43f6bdf02dd5c46b7afa09ea5f247524a2")
+    version("23.5.2", sha256="d83576c8e25e22cc9ba68a35b9690ea861f7a4c09db65ca134849c89fba9b330")
+    version("23.5.1", sha256="73ef1bea1022b9ebddec35ac7d66c1394003aa5e63a4ec99bfa14d4f833e04a4")
+    version("23.5.0", sha256="dccb774932813ddc788b1d27e52e251d9db6ea16b303596bfa0955ae51098674")
+
+    depends_on("py-flit-core", type="build")
+
+    depends_on("mpich")
+    depends_on("py-h5py +mpi")
+    depends_on("py-pandas")
+    depends_on("py-particle")
+    depends_on("py-plotly")
+    depends_on("py-torch-geometric")
+
+    extends("python")