LBANN (spack#3049)

* Creating a spack package for LLNL's LBANN (Livermore Big
Artificial Neural Network) training toolkit.

* Recipe for building LBANN toolkit.  Contains limited feature set and
is optimized for building with GNU gcc and OpenBLAS.

* Removed unnecessary dependencies based on reviewers feedback.

* Added support for the int64 data type in the Elemental library.  This
is required for supporting indices for large matrices.

* Added a variant to force a sequential weight matrix initialization.
This is slow, but provides an initialization that is independent of
model parallelism.

* Added a guard to prevent building Elemental with the Intel compiler
for versions that have known bugs.

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

@@ -23,6 +23,7 @@
 # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
 ##############################################################################
 from spack import *
+from spack.spec import UnsupportedCompilerError
 
 
 class Elemental(CMakePackage):
@@ -32,6 +33,7 @@ class Elemental(CMakePackage):
     homepage = "http://libelemental.org"
     url      = "https://github.com/elemental/Elemental/archive/v0.87.6.tar.gz"
 
+    version('0.87.7', '6c1e7442021c59a36049e37ea69b8075')
     version('0.87.6', '9fd29783d45b0a0e27c0df85f548abe9')
 
     variant('debug', default=False, 
@@ -94,6 +96,12 @@ def build_type(self):
 
     def cmake_args(self):
         spec = self.spec
+
+        if '@:0.87.7' in spec and '%intel@:17.0.2' in spec:
+            raise UnsupportedCompilerError(
+                "Elemental {0} has a known bug with compiler: {1} {2}".format(
+                    spec.version, spec.compiler.name, spec.compiler.version))
+
         args = [
             '-DCMAKE_INSTALL_MESSAGE:STRING=LAZY',
             '-DEL_PREFER_OPENBLAS:BOOL=TRUE',

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

@@ -0,0 +1,83 @@
+##############################################################################
+# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
+# Produced at the Lawrence Livermore National Laboratory.
+#
+# This file is part of Spack.
+# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
+# LLNL-CODE-647188
+#
+# For details, see https://github.com/llnl/spack
+# Please also see the LICENSE file for our notice and the LGPL.
+#
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License (as
+# published by the Free Software Foundation) version 2.1, February 1999.
+#
+# This program is distributed in the hope that it will be useful, but
+# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
+# conditions of the GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
+##############################################################################
+from spack import *
+
+
+class Lbann(CMakePackage):
+    """LBANN: Livermore Big Artificial Neural Network Toolkit.  A distributed
+    memory, HPC-optimized, model and data parallel training toolkit for deep
+    neural networks."""
+
+    homepage = "http://software.llnl.gov/lbann/"
+    url      = "https://github.com/LLNL/lbann/archive/v0.91.tar.gz"
+
+    version('develop', git='https://github.com/LLNL/lbann.git', branch="develop")
+    version('0.91', '83b0ec9cd0b7625d41dfb06d2abd4134')
+
+    variant('debug', default=False, description='Builds a debug version of the libraries')
+    variant('gpu', default=False, description='Builds with support for GPUs via CUDA and cuDNN')
+    variant('opencv', default=True, description='Builds with support for image processing routines with OpenCV')
+    variant('seq_init', default=False, description='Force serial initialization of weight matrices.')
+
+    depends_on('elemental +openmp_blas +scalapack +shared +int64')
+    depends_on('elemental +openmp_blas +scalapack +shared +int64 +debug', when='+debug')
+    depends_on('cuda', when='+gpu')
+    depends_on('mpi')
+    depends_on('opencv@2.4.13', when='+opencv')
+    depends_on('protobuf@3.0.2')
+
+    def build_type(self):
+        if '+debug' in self.spec:
+            return 'Debug'
+        else:
+            return 'Release'
+
+    def cmake_args(self):
+        spec = self.spec
+        # Environment variables
+        CPPFLAGS = []
+        CPPFLAGS.append('-DLBANN_SET_EL_RNG')
+        if '~seq_init' in spec:
+            CPPFLAGS.append('-DLBANN_PARALLEL_RANDOM_MATRICES')
+
+        args = [
+            '-DCMAKE_INSTALL_MESSAGE=LAZY',
+            '-DCMAKE_CXX_FLAGS=%s' % ' '.join(CPPFLAGS),
+            '-DWITH_CUDA:BOOL=%s' % ('+gpu' in spec),
+            '-DWITH_CUDNN:BOOL=%s' % ('+gpu' in spec),
+            '-DWITH_TBINF=OFF',
+            '-DWITH_VTUNE=OFF',
+            '-DElemental_DIR={0}'.format(self.spec['elemental'].prefix),
+            '-DELEMENTAL_MATH_LIBS={0}'.format(
+                self.spec['elemental'].elemental_libs),
+            '-DVERBOSE=0',
+            '-DLBANN_HOME=.',
+            '-DLBANN_VER=spack']
+
+        if '+opencv' in self.spec:
+            args.extend(['-DOpenCV_DIR:STRING={0}'.format(
+                self.spec['opencv'].prefix)])
+
+        return args