LBANN: add hydrogen as optional dependency (#8085)

Add Hydrogen package for fork of Elemental library. Update LBANN
to use either Hydrogen or Elemental.

2 files changed, 188 insertions, 6 deletions

diff --git a/var/spack/repos/builtin/packages/hydrogen/package.py b/var/spack/repos/builtin/packages/hydrogen/package.py
new file mode 100644
index 0000000000..449e29a999
--- /dev/null
+++ b/var/spack/repos/builtin/packages/hydrogen/package.py
@@ -0,0 +1,158 @@
+##############################################################################
+# Copyright (c) 2013-2018, 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/spack/spack
+# Please also see the NOTICE and LICENSE files 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
+##############################################################################
+import os
+import sys
+from spack import *
+from spack.spec import UnsupportedCompilerError
+
+
+class Hydrogen(CMakePackage):
+    """Hydrogen: Distributed-memory dense and sparse-direct linear algebra
+       and optimization library. Based on the Elemental library."""
+
+    homepage = "http://libelemental.org"
+    url      = "https://github.com/LLNL/Elemental/archive/0.99.tar.gz"
+
+    version('develop', git='https://github.com/LLNL/Elemental.git', branch='hydrogen')
+    version('0.99', 'b678433ab1d498da47acf3dc5e056c23')
+
+    variant('shared', default=True,
+            description='Enables the build of shared libraries')
+    variant('hybrid', default=True,
+            description='Make use of OpenMP within MPI packing/unpacking')
+    variant('openmp_blas', default=False,
+            description='Use OpenMP for threading in the BLAS library')
+    variant('quad', default=False,
+            description='Enable quad precision')
+    variant('int64', default=False,
+            description='Use 64bit integers')
+    variant('int64_blas', default=False,
+            description='Use 64bit integers for BLAS.')
+    variant('scalapack', default=False,
+            description='Build with ScaLAPACK library')
+    variant('build_type', default='Release',
+            description='The build type to build',
+            values=('Debug', 'Release'))
+    variant('blas', default='openblas', values=('openblas', 'mkl', 'accelerate', 'essl'),
+            description='Enable the use of OpenBlas/MKL/Accelerate/ESSL')
+    variant('mpfr', default=False,
+            description='Support GNU MPFR\'s'
+            'arbitrary-precision floating-point arithmetic')
+    variant('cuda', default=False, 
+            description='Builds with support for GPUs via CUDA and cuDNN')
+    variant('test', default=False, 
+            description='Builds test suite')
+
+    # Note that #1712 forces us to enumerate the different blas variants
+    depends_on('openblas', when='blas=openblas ~openmp_blas ~int64_blas')
+    depends_on('openblas +ilp64', when='blas=openblas ~openmp_blas +int64_blas')
+    depends_on('openblas threads=openmp', when='blas=openblas +openmp_blas ~int64_blas')
+    depends_on('openblas threads=openmp +lip64', when='blas=openblas +openmp_blas +int64_blas')
+
+    depends_on('intel-mkl', when="blas=mkl ~openmp_blas ~int64_blas")
+    depends_on('intel-mkl +ilp64', when="blas=mkl ~openmp_blas +int64_blas")
+    depends_on('intel-mkl threads=openmp', when='blas=mkl +openmp_blas ~int64_blas')
+    depends_on('intel-mkl@2017.1 +openmp +ilp64', when='blas=mkl +openmp_blas +int64_blas')
+
+    depends_on('veclibfort', when='blas=accelerate')
+    conflicts('blas=accelerate +openmp_blas')
+
+    depends_on('essl -cuda', when='blas=essl -openmp_blas ~int64_blas')
+    depends_on('essl -cuda +ilp64', when='blas=essl -openmp_blas +int64_blas')
+    depends_on('essl threads=openmp', when='blas=essl +openmp_blas ~int64_blas')
+    depends_on('essl threads=openmp +ilp64', when='blas=essl +openmp_blas +int64_blas')
+    depends_on('netlib-lapack +external-blas', when='blas=essl')
+
+    # Note that this forces us to use OpenBLAS until #1712 is fixed
+    depends_on('lapack', when='blas=openblas ~openmp_blas')
+
+    depends_on('mpi', when='~cuda')
+    depends_on('mpi +cuda', when='+cuda')
+
+    depends_on('scalapack', when='+scalapack')
+    depends_on('gmp', when='+mpfr')
+    depends_on('mpc', when='+mpfr')
+    depends_on('mpfr', when='+mpfr')
+
+    depends_on('cuda', when='+cuda')
+    depends_on('cudnn', when='+cuda')
+    depends_on('cub', when='+cuda')
+
+    @property
+    def libs(self):
+        shared = True if '+shared' in self.spec else False
+        return find_libraries(
+            'libEl', root=self.prefix, shared=shared, recursive=True
+        )
+
+    @when('@:0.84' or '@0.99:')
+    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',
+            '-DCMAKE_C_COMPILER=%s' % spec['mpi'].mpicc,
+            '-DCMAKE_CXX_COMPILER=%s' % spec['mpi'].mpicxx,
+            '-DCMAKE_Fortran_COMPILER=%s' % spec['mpi'].mpifc,
+            '-DBUILD_SHARED_LIBS:BOOL=%s'      % ('+shared' in spec),
+            '-DHydrogen_ENABLE_OPENMP:BOOL=%s'       % ('+hybrid' in spec),
+            '-DHydrogen_ENABLE_QUADMATH:BOOL=%s'     % ('+quad' in spec),
+            '-DHydrogen_USE_64BIT_INTS:BOOL=%s'      % ('+int64' in spec),
+            '-DHydrogen_USE_64BIT_BLAS_INTS:BOOL=%s' % ('+int64_blas' in spec),
+            '-DHydrogen_ENABLE_MPC:BOOL=%s'        % ('+mpfr' in spec),
+            '-DHydrogen_GENERAL_LAPACK_FALLBACK=ON',
+            '-DHydrogen_ENABLE_CUDA=%s' % ('+cuda' in spec),
+            '-DHydrogen_ENABLE_TESTING=%s' % ('+test' in spec),
+        ]
+
+        # Add support for OS X to find OpenMP
+        if (self.spec.satisfies('%clang')):
+            if (sys.platform == 'darwin'):
+                clang = self.compiler.cc
+                clang_bin = os.path.dirname(clang)
+                clang_root = os.path.dirname(clang_bin)
+                args.extend([
+                    '-DOpenMP_DIR={0}'.format(clang_root)])
+
+        if 'blas=openblas' in spec:
+            args.extend([
+                '-DHydrogen_USE_OpenBLAS:BOOL=%s' % ('blas=openblas' in spec),
+                '-DOpenBLAS_DIR:STRING={0}'.format(
+                    spec['hydrogen'].prefix)])
+        elif 'blas=mkl' in spec:
+            args.extend([
+                '-DHydrogen_USE_MKL:BOOL=%s' % ('blas=mkl' in spec)])
+        elif 'blas=accelerate' in spec:
+            args.extend(['-DHydrogen_USE_ACCELERATE:BOOL=TRUE'])
+        elif 'blas=essl' in spec:
+            args.extend([
+                '-DHydrogen_USE_ESSL:BOOL=%s' % ('blas=essl' in spec)])
+
+        return args
diff --git a/var/spack/repos/builtin/packages/lbann/package.py b/var/spack/repos/builtin/packages/lbann/package.py
index 0d9b6532a6..55a966e9a9 100644
--- a/var/spack/repos/builtin/packages/lbann/package.py
+++ b/var/spack/repos/builtin/packages/lbann/package.py
@@ -51,13 +51,30 @@ class Lbann(CMakePackage):
             description='The build type to build',
             values=('Debug', 'Release'))
 
-    depends_on('elemental +openmp_blas +shared +int64')
+    # It seems that there is a need for one statement per version bounds
+    depends_on('hydrogen +openmp_blas +shared +int64', when='@0.95:')
+    depends_on('hydrogen +openmp_blas +shared +int64', when='@:0.90')
+    depends_on('hydrogen +openmp_blas +shared +int64 build_type=Debug',
+               when=('build_type=Debug' '@0.95:'))
+    depends_on('hydrogen +openmp_blas +shared +int64 build_type=Debug',
+               when=('build_type=Debug' '@:0.90'))
+    depends_on('hydrogen +openmp_blas +shared +int64 +cuda', 
+               when=('+gpu' '@0.95:'))
+    depends_on('hydrogen +openmp_blas +shared +int64 +cuda', 
+               when=('+gpu' '@:0.90'))
+    depends_on('hydrogen +openmp_blas +shared +int64 +cuda build_type=Debug',
+               when=('build_type=Debug' '@0.95:' '+gpu'))
+    depends_on('hydrogen +openmp_blas +shared +int64 +cuda build_type=Debug',
+               when=('build_type=Debug' '@:0.90' '+gpu'))
+    depends_on('elemental +openmp_blas +shared +int64', when=('@0.91:0.94'))
     depends_on('elemental +openmp_blas +shared +int64 build_type=Debug',
-               when=('build_type=Debug'))
+               when=('build_type=Debug' '@0.91:0.94'))
+
     depends_on('cuda', when='+gpu')
     depends_on('cudnn', when='+gpu')
     depends_on('cub', when='+gpu')
-    depends_on('mpi')
+    depends_on('mpi', when='~gpu')
+    depends_on('mpi +cuda', when='+gpu')
     depends_on('hwloc ~pci ~libxml2')
     # LBANN wraps OpenCV calls in OpenMP parallel loops, build without OpenMP
     # Additionally disable video related options, they incorrectly link in a
@@ -89,7 +106,7 @@ class Lbann(CMakePackage):
 
     # Get any recent versions or non-numeric version
     # Note that develop > numeric and non-develop < numeric
-    @when('@:0.91' or '@0.94:')
+    @when('@:0.90' or '@0.94:')
     def cmake_args(self):
         spec = self.spec
         args = self.common_config_args
@@ -99,11 +116,18 @@ class Lbann(CMakePackage):
             ('+seq_init' in spec),
             '-DLBANN_WITH_TBINF=OFF',
             '-DLBANN_WITH_VTUNE=OFF',
-            '-DElemental_DIR={0}/CMake/elemental'.format(
-                spec['elemental'].prefix),
             '-DLBANN_DATATYPE={0}'.format(spec.variants['dtype'].value),
             '-DLBANN_VERBOSE=0'])
 
+        if self.spec.satisfies('@:0.90') or self.spec.satisfies('@0.95:'):
+            args.extend([
+                '-DHydrogen_DIR={0}/CMake/hydrogen'.format(
+                    spec['hydrogen'].prefix)])
+        elif self.spec.satisfies('@0.94'):
+            args.extend([
+                '-DElemental_DIR={0}/CMake/elemental'.format(
+                    spec['elemental'].prefix)])
+
         # Add support for OpenMP
         if (self.spec.satisfies('%clang')):
             if (sys.platform == 'darwin'):