py-dgl: add new package (#15594)

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

@@ -0,0 +1,94 @@
+# 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 PyDgl(CMakePackage):
+    """Deep Graph Library (DGL).
+
+    DGL is an easy-to-use, high performance and scalable Python package for
+    deep learning on graphs. DGL is framework agnostic, meaning if a deep graph
+    model is a component of an end-to-end application, the rest of the logics
+    can be implemented in any major frameworks, such as PyTorch, Apache MXNet
+    or TensorFlow."""
+
+    homepage = "https://www.dgl.ai/"
+    git      = "https://github.com/dmlc/dgl.git"
+
+    maintainers = ['adamjstewart']
+
+    version('master', branch='master', submodules=True)
+    version('0.4.2', tag='0.4.2', submodules=True)
+
+    variant('cuda',   default=True, description='Build with CUDA')
+    variant('openmp', default=True, description='Build with OpenMP')
+    variant('backend', default='pytorch', description='Default backend',
+            values=['pytorch', 'mxnet', 'tensorflow'], multi=False)
+
+    depends_on('cmake@3.5:', type='build')
+    depends_on('cuda', when='+cuda')
+    depends_on('llvm-openmp', when='%clang platform=darwin +openmp')
+
+    # Python dependencies
+    extends('python')
+    depends_on('python@3.5:', type=('build', 'run'))
+    depends_on('py-setuptools', type='build')
+    depends_on('py-cython', type='build')
+    depends_on('py-numpy@1.14.0:', type=('build', 'run'))
+    depends_on('py-scipy@1.1.0:', type=('build', 'run'))
+    depends_on('py-networkx@2.1:', type=('build', 'run'))
+
+    # Backends
+    depends_on('py-torch@0.4.1:',    when='backend=pytorch',    type='run')
+    depends_on('mxnet@1.5:',         when='backend=mxnet',      type='run')
+    depends_on('py-tensorflow@2.0:', when='backend=tensorflow', type='run')
+    depends_on('py-tfdlpack',        when='backend=tensorflow', type='run')
+
+    build_directory = 'build'
+
+    def cmake_args(self):
+        args = []
+
+        if '+cuda' in self.spec:
+            args.append('-DUSE_CUDA=ON')
+        else:
+            args.append('-DUSE_CUDA=OFF')
+
+        if '+openmp' in self.spec:
+            args.append('-DUSE_OPENMP=ON')
+
+            if self.spec.satisfies('%clang platform=darwin'):
+                args.extend([
+                    '-DOpenMP_CXX_FLAGS=' +
+                    self.spec['llvm-openmp'].headers.include_flags,
+                    '-DOpenMP_CXX_LIB_NAMES=' +
+                    self.spec['llvm-openmp'].libs.names[0],
+                    '-DOpenMP_C_FLAGS=' +
+                    self.spec['llvm-openmp'].headers.include_flags,
+                    '-DOpenMP_C_LIB_NAMES=' +
+                    self.spec['llvm-openmp'].libs.names[0],
+                    '-DOpenMP_omp_LIBRARY=' +
+                    self.spec['llvm-openmp'].libs[0],
+                ])
+        else:
+            args.append('-DUSE_OPENMP=OFF')
+
+        if self.run_tests:
+            args.append('-DBUILD_CPP_TEST=ON')
+        else:
+            args.append('-DBUILD_CPP_TEST=OFF')
+
+        return args
+
+    def install(self, spec, prefix):
+        with working_dir('python'):
+            import os
+            print('Current dir:', os.getcwd())
+            setup_py('install', '--prefix=' + prefix,
+                     '--single-version-externally-managed', '--root=/')
+
+    def setup_run_environment(self, env):
+        # https://docs.dgl.ai/install/backend.html
+        backend = self.spec.variants['backend'].value
+        env.set('DGLBACKEND', backend)