py-heat: add new package (#39394)

* heat: Create new spack package

* t8code: Add maintainer

* t8code: Add variant descriptions

* t8code: Add second maintainer

* t8code: Add another maintainer

* heat: Changes after review

* heat: Fix style test error

* heat: Delete obsolete install_options and re-add package homepage

* heat: Add dependency on py-setuptools

---------

Co-authored-by: Sven Goldberg <sven.goldberg@dlr.de>

1 files changed, 47 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/py-heat/package.py b/var/spack/repos/builtin/packages/py-heat/package.py
new file mode 100644
index 0000000000..5d122fe516
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-heat/package.py
@@ -0,0 +1,47 @@
+# 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 PyHeat(PythonPackage):
+    """Heat is a flexible and seamless open-source software for high performance data analytics
+    and machine learning. It provides highly optimized algorithms and data structures for tensor
+    computations using CPUs, GPUs and distributed cluster systems on top of MPI."""
+
+    homepage = "https://github.com/helmholtz-analytics/heat/"
+    pypi = "heat/heat-1.3.0.tar.gz"
+
+    maintainers("mrfh92", "ClaudiaComito", "JuanPedroGHM")
+
+    version("1.3.0", sha256="fa247539a559881ffe574a70227d3c72551e7c4a9fb29b0945578d6a840d1c87")
+
+    variant("docutils", default=False, description="Use the py-docutils package")
+    variant("hdf5", default=False, description="Use the py-h5py package needed for HDF5 support")
+    variant(
+        "netcdf", default=False, description="Use the py-netcdf4 package needed for NetCDF support"
+    )
+    variant("dev", default=False, description="Use the py-pre-commit package")
+    variant(
+        "examples",
+        default=False,
+        description="Use py-scikit-learn and py-matplotlib for the example tests",
+    )
+
+    depends_on("python@3.8:", type=("build", "run"))
+    depends_on("py-numpy@1.20:", type=("build", "run"))
+    depends_on("py-torch@1.8:2.0.1", type=("build", "run"))
+    depends_on("py-scipy@0.14:", type=("build", "run"))
+    depends_on("pil@6:", type=("build", "run"))
+    depends_on("py-torchvision@0.8:", type=("build", "run"))
+    depends_on("py-mpi4py@3:", type=("build", "run"))
+    depends_on("py-setuptools", type="build")
+
+    depends_on("py-docutils@0.16:", when="+docutils", type=("build", "link", "run"))
+    depends_on("py-h5py@2.8.0:", when="+hdf5", type=("build", "link", "run"))
+    depends_on("py-netcdf4@1.5.6:", when="+netcdf", type=("build", "link", "run"))
+    depends_on("py-pre-commit@1.18.3:", when="+dev", type=("build", "link", "run"))
+    depends_on("py-scikit-learn@0.24.0:", when="+examples", type=("build", "link", "run"))
+    depends_on("py-matplotlib@3.1.0:", when="+examples", type=("build", "link", "run"))