new package(s): py-torch-geometric (#17768)

* new package(s): py-torch-geometric
(with related dependencies: py-rdflib, py-googledrivedownloader)

* fixes

3 files changed, 80 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/py-googledrivedownloader/package.py b/var/spack/repos/builtin/packages/py-googledrivedownloader/package.py
new file mode 100644
index 0000000000..96710e1a17
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-googledrivedownloader/package.py
@@ -0,0 +1,15 @@
+# Copyright 2013-2020 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)
+
+
+class PyGoogledrivedownloader(PythonPackage):
+    """Minimal class to download shared files from Google Drive."""
+
+    homepage = "https://github.com/ndrplz/google-drive-downloader"
+    url      = "https://pypi.io/packages/source/g/googledrivedownloader/googledrivedownloader-0.4.tar.gz"
+
+    version('0.4', sha256='4b34c1337b2ff3bf2bd7581818efbdcaea7d50ffd484ccf80809688f5ca0e204')
+
+    depends_on('py-setuptools', type='build')
diff --git a/var/spack/repos/builtin/packages/py-rdflib/package.py b/var/spack/repos/builtin/packages/py-rdflib/package.py
new file mode 100644
index 0000000000..5e1b8da03a
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-rdflib/package.py
@@ -0,0 +1,26 @@
+# Copyright 2013-2020 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)
+
+
+class PyRdflib(PythonPackage):
+    """RDFLib is a pure Python package for working with RDF. RDFLib
+       contains most things you need to work with RDF, including:
+    parsers and serializers for RDF/XML, N3, NTriples, N-Quads,
+    Turtle, TriX, Trig and JSON-LD (via a plugin).  a Graph interface
+    which can be backed by any one of a number of Store
+    implementations store implementations for in-memory storage and
+    persistent storage on top of the Berkeley DB a SPARQL 1.1
+    implementation - supporting SPARQL 1.1 Queries and Update
+    statements """
+
+    homepage = "https://github.com/RDFLib/rdflib"
+    url      = "https://pypi.io/packages/source/r/rdflib/rdflib-5.0.0.tar.gz"
+
+    version('5.0.0', sha256='78149dd49d385efec3b3adfbd61c87afaf1281c30d3fcaf1b323b34f603fb155')
+
+    depends_on('py-setuptools', type='build')
+    depends_on('py-six', type=('build', 'run'))
+    depends_on('py-pyparsing', type=('build', 'run'))
+    depends_on('py-isodate', type=('build', 'run'))
diff --git a/var/spack/repos/builtin/packages/py-torch-geometric/package.py b/var/spack/repos/builtin/packages/py-torch-geometric/package.py
new file mode 100644
index 0000000000..84d633c261
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-torch-geometric/package.py
@@ -0,0 +1,39 @@
+# Copyright 2013-2020 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)
+
+
+class PyTorchGeometric(PythonPackage):
+    """PyTorch Geometric (PyG) is a geometric deep learning extension
+    library for PyTorch.  It consists of various methods for deep
+    learning on graphs and other irregular structures, also known as
+    geometric deep learning, from a variety of published papers. In
+    addition, it consists of an easy-to-use mini-batch loader for many
+    small and single giant graphs, multi gpu-support, a large number
+    of common benchmark datasets (based on simple interfaces to create
+    your own), and helpful transforms, both for learning on arbitrary
+    graphs as well as on 3D meshes or point clouds."""
+
+    homepage = "https://github.com/rusty1s/pytorch_geometric"
+    url      = "https://github.com/rusty1s/pytorch_geometric/archive/1.6.0.tar.gz"
+
+    version('1.6.0', sha256='7d5231cdcc2ebd4444f406cbf1537eb49bf90ab6f446eaf1b7af5cdbe105f3c9')
+
+    depends_on('python@3.6:', type=('build', 'run'))
+    depends_on('py-setuptools', type='build')
+    depends_on('py-pytest-runner', type='build')
+    depends_on('py-torch', type=('build', 'run'))
+    depends_on('py-numpy', type=('build', 'run'))
+    depends_on('py-tqdm', type=('build', 'run'))
+    depends_on('py-scipy', type=('build', 'run'))
+    depends_on('py-networkx', type=('build', 'run'))
+    depends_on('py-scikit-learn', type=('build', 'run'))
+    depends_on('py-numba', type=('build', 'run'))
+    depends_on('py-requests', type=('build', 'run'))
+    depends_on('py-pandas', type=('build', 'run'))
+    depends_on('py-rdflib', type=('build', 'run'))
+    depends_on('py-googledrivedownloader', type=('build', 'run'))
+    depends_on('py-h5py~mpi', type=('build', 'run'))
+    depends_on('py-ase', type=('build', 'run'))
+    depends_on('py-jinja2', type=('build', 'run'))