Merge branch 'davydden-dealii' into develop

- Modified arpack-ng to call libtoolize.

2 files changed, 246 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/arpack-ng/package.py b/var/spack/repos/builtin/packages/arpack-ng/package.py
index dd86b17a53..6b152f7863 100644
--- a/var/spack/repos/builtin/packages/arpack-ng/package.py
+++ b/var/spack/repos/builtin/packages/arpack-ng/package.py
@@ -41,10 +41,17 @@ class ArpackNg(Package):
 
     depends_on('blas')
     depends_on('lapack')
+    depends_on('automake')
+    depends_on('autoconf')
+    depends_on('libtool@2.4.2:')
+
     depends_on('mpi', when='+mpi')
 
     def install(self, spec, prefix):
         # Apparently autotools are not bootstrapped
+        # TODO: switch to use the CMake build in the next version
+        # rather than bootstrapping.
+        which('libtoolize')()
         bootstrap = Executable('./bootstrap')
 
         options = ['--prefix=%s' % prefix]
diff --git a/var/spack/repos/builtin/packages/dealii/package.py b/var/spack/repos/builtin/packages/dealii/package.py
new file mode 100644
index 0000000000..7aaf33380e
--- /dev/null
+++ b/var/spack/repos/builtin/packages/dealii/package.py
@@ -0,0 +1,239 @@
+from spack import *
+import sys
+
+class Dealii(Package):
+    """C++ software library providing well-documented tools to build finite element codes for a broad variety of PDEs."""
+    homepage = "https://www.dealii.org"
+    url      = "https://github.com/dealii/dealii/releases/download/v8.4.0/dealii-8.4.0.tar.gz"
+
+    version('8.4.0', 'ac5dbf676096ff61e092ce98c80c2b00')
+    version('dev', git='https://github.com/dealii/dealii.git')
+
+    variant('mpi',      default=True,  description='Compile with MPI')
+    variant('arpack',   default=True,  description='Compile with Arpack and PArpack (only with MPI)')
+    variant('doc',      default=False, description='Compile with documentation')
+    variant('hdf5',     default=True,  description='Compile with HDF5 (only with MPI)')
+    variant('metis',    default=True,  description='Compile with Metis')
+    variant('netcdf',   default=True,  description='Compile with Netcdf (only with MPI)')
+    variant('oce',      default=True,  description='Compile with OCE')
+    variant('p4est',    default=True,  description='Compile with P4est (only with MPI)')
+    variant('petsc',    default=True,  description='Compile with Petsc (only with MPI)')
+    variant('slepc',    default=True,  description='Compile with Slepc (only with Petsc and MPI)')
+    variant('trilinos', default=True,  description='Compile with Trilinos (only with MPI)')
+
+    # required dependencies, light version
+    depends_on ("blas")
+    depends_on ("boost",     when='~mpi')
+    depends_on ("boost+mpi", when='+mpi')
+    depends_on ("bzip2")
+    depends_on ("cmake")
+    depends_on ("lapack")
+    depends_on ("muparser")
+    depends_on ("suite-sparse")
+    depends_on ("tbb")
+    depends_on ("zlib")
+
+    # optional dependencies
+    depends_on ("mpi", when="+mpi")
+    depends_on ("arpack-ng+mpi", when='+arpack+mpi')
+    depends_on ("doxygen", when='+doc')
+    depends_on ("hdf5+mpi~cxx", when='+hdf5+mpi') #FIXME NetCDF declares dependency with ~cxx, why?
+    depends_on ("metis", when='+metis')
+    depends_on ("netcdf+mpi", when="+netcdf+mpi")
+    depends_on ("netcdf-cxx", when='+netcdf+mpi')
+    depends_on ("oce", when='+oce')
+    depends_on ("p4est", when='+p4est+mpi')
+    depends_on ("petsc+mpi", when='+petsc+mpi')
+    depends_on ("slepc", when='+slepc+petsc+mpi')
+    depends_on ("trilinos", when='+trilinos+mpi')
+
+    # developer dependnecies
+    #depends_on ("numdiff") #FIXME
+    #depends_on ("astyle") #FIXME
+
+    def install(self, spec, prefix):
+        options = []
+        options.extend(std_cmake_args)
+
+        # CMAKE_BUILD_TYPE should be DebugRelease | Debug | Release
+        for word in options[:]:
+            if word.startswith('-DCMAKE_BUILD_TYPE'):
+                options.remove(word)
+
+        dsuf = 'dylib' if sys.platform == 'darwin' else 'so'
+        options.extend([
+            '-DCMAKE_BUILD_TYPE=DebugRelease',
+            '-DDEAL_II_COMPONENT_EXAMPLES=ON',
+            '-DDEAL_II_WITH_THREADS:BOOL=ON',
+            '-DBOOST_DIR=%s' % spec['boost'].prefix,
+            '-DBZIP2_DIR=%s' % spec['bzip2'].prefix,
+            # CMake's FindBlas/Lapack may pickup system's blas/lapack instead of Spack's.
+            # Be more specific to avoid this.
+            # Note that both lapack and blas are provided in -DLAPACK_XYZ variables
+            '-DLAPACK_FOUND=true',
+            '-DLAPACK_INCLUDE_DIRS=%s;%s' %
+                (spec['lapack'].prefix.include,
+                 spec['blas'].prefix.include),
+            '-DLAPACK_LIBRARIES=%s;%s' %
+                (join_path(spec['lapack'].prefix.lib,'liblapack.%s' % dsuf), # FIXME don't hardcode names
+                 join_path(spec['blas'].prefix.lib,'libblas.%s' % dsuf)),    # FIXME don't hardcode names
+            '-DMUPARSER_DIR=%s ' % spec['muparser'].prefix,
+            '-DP4EST_DIR=%s' % spec['p4est'].prefix,
+            '-DUMFPACK_DIR=%s' % spec['suite-sparse'].prefix,
+            '-DTBB_DIR=%s' % spec['tbb'].prefix,
+            '-DZLIB_DIR=%s' % spec['zlib'].prefix
+        ])
+
+        # MPI
+        if '+mpi' in spec:
+            options.extend([
+                '-DDEAL_II_WITH_MPI:BOOL=ON',
+                '-DCMAKE_C_COMPILER=%s' % join_path(self.spec['mpi'].prefix.bin, 'mpicc'), # FIXME: avoid hardcoding mpi wrappers names
+                '-DCMAKE_CXX_COMPILER=%s' % join_path(self.spec['mpi'].prefix.bin, 'mpic++'),
+                '-DCMAKE_Fortran_COMPILER=%s' % join_path(self.spec['mpi'].prefix.bin, 'mpif90'),
+            ])
+        else:
+            options.extend([
+                '-DDEAL_II_WITH_MPI:BOOL=OFF',
+            ])
+
+        # Optional dependencies for which librariy names are the same as CMake variables
+        for library in ('hdf5', 'p4est','petsc', 'slepc','trilinos','metis'):
+            if library in spec:
+                options.extend([
+                    '-D{library}_DIR={value}'.format(library=library.upper(), value=spec[library].prefix),
+                    '-DDEAL_II_WITH_{library}:BOOL=ON'.format(library=library.upper())
+                ])
+            else:
+                options.extend([
+                    '-DDEAL_II_WITH_{library}:BOOL=OFF'.format(library=library.upper())
+                ])
+
+        # doxygen
+        options.extend([
+            '-DDEAL_II_COMPONENT_DOCUMENTATION=%s' % ('ON' if '+doc' in spec else 'OFF'),
+        ])
+
+
+        # arpack
+        if '+arpack' in spec:
+            options.extend([
+                '-DARPACK_DIR=%s' % spec['arpack-ng'].prefix,
+                '-DDEAL_II_WITH_ARPACK=ON',
+                '-DDEAL_II_ARPACK_WITH_PARPACK=ON'
+            ])
+        else:
+            options.extend([
+                '-DDEAL_II_WITH_ARPACK=OFF'
+            ])
+
+        # since Netcdf is spread among two, need to do it by hand:
+        if '+netcdf' in spec:
+            options.extend([
+                '-DNETCDF_FOUND=true',
+                '-DNETCDF_LIBRARIES=%s;%s' %
+                    (join_path(spec['netcdf-cxx'].prefix.lib,'libnetcdf_c++.%s' % dsuf),
+                    join_path(spec['netcdf'].prefix.lib,'libnetcdf.%s' % dsuf)),
+                '-DNETCDF_INCLUDE_DIRS=%s;%s' %
+                    (spec['netcdf-cxx'].prefix.include,
+                    spec['netcdf'].prefix.include),
+            ])
+        else:
+            options.extend([
+                '-DDEAL_II_WITH_NETCDF=OFF'
+            ])
+
+        # Open Cascade
+        if '+oce' in spec:
+            options.extend([
+                '-DOPENCASCADE_DIR=%s' % spec['oce'].prefix,
+                '-DDEAL_II_WITH_OPENCASCADE=ON'
+            ])
+        else:
+            options.extend([
+                '-DDEAL_II_WITH_OPENCASCADE=OFF'
+            ])
+
+        cmake('.', *options)
+
+        make()
+        make("test")
+        make("install")
+
+        # run some MPI examples with different solvers from PETSc and Trilinos
+        env['DEAL_II_DIR'] = prefix
+        print('=====================================')
+        print('============ EXAMPLES ===============')
+        print('=====================================')
+        # take bare-bones step-3
+        print('=====================================')
+        print('============ Step-3 =================')
+        print('=====================================')
+        with working_dir('examples/step-3'):
+            cmake('.')
+            make('release')
+            make('run',parallel=False)
+
+        # take step-40 which can use both PETSc and Trilinos
+        # FIXME: switch step-40 to MPI run
+        with working_dir('examples/step-40'):
+            print('=====================================')
+            print('========== Step-40 PETSc ============')
+            print('=====================================')
+            # list the number of cycles to speed up
+            filter_file(r'(const unsigned int n_cycles = 8;)',  ('const unsigned int n_cycles = 2;'), 'step-40.cc')
+            cmake('.')
+            if '^petsc' in spec:
+                make('release')
+                make('run',parallel=False)
+
+            print('=====================================')
+            print('========= Step-40 Trilinos ==========')
+            print('=====================================')
+            # change Linear Algebra to Trilinos
+            filter_file(r'(\/\/ #define FORCE_USE_OF_TRILINOS.*)',  ('#define FORCE_USE_OF_TRILINOS'), 'step-40.cc')
+            if '^trilinos+hypre' in spec:
+                make('release')
+                make('run',parallel=False)
+
+            print('=====================================')
+            print('=== Step-40 Trilinos SuperluDist ====')
+            print('=====================================')
+            # change to direct solvers
+            filter_file(r'(LA::SolverCG solver\(solver_control\);)',  ('TrilinosWrappers::SolverDirect::AdditionalData data(false,"Amesos_Superludist"); TrilinosWrappers::SolverDirect solver(solver_control,data);'), 'step-40.cc')
+            filter_file(r'(LA::MPI::PreconditionAMG preconditioner;)',  (''), 'step-40.cc')
+            filter_file(r'(LA::MPI::PreconditionAMG::AdditionalData data;)',  (''), 'step-40.cc')
+            filter_file(r'(preconditioner.initialize\(system_matrix, data\);)',  (''), 'step-40.cc')
+            filter_file(r'(solver\.solve \(system_matrix, completely_distributed_solution, system_rhs,)',  ('solver.solve (system_matrix, completely_distributed_solution, system_rhs);'), 'step-40.cc')
+            filter_file(r'(preconditioner\);)',  (''), 'step-40.cc')
+            if '^trilinos+superlu-dist' in spec:
+                make('release')
+                make('run',paralle=False)
+
+            print('=====================================')
+            print('====== Step-40 Trilinos MUMPS =======')
+            print('=====================================')
+            # switch to Mumps
+            filter_file(r'(Amesos_Superludist)',  ('Amesos_Mumps'), 'step-40.cc')
+            if '^trilinos+mumps' in spec:
+                make('release')
+                make('run',parallel=False)
+
+        print('=====================================')
+        print('============ Step-36 ================')
+        print('=====================================')
+        with working_dir('examples/step-36'):
+            if 'slepc' in spec:
+                cmake('.')
+                make('release')
+                make('run',parallel=False)
+
+        print('=====================================')
+        print('============ Step-54 ================')
+        print('=====================================')
+        with working_dir('examples/step-54'):
+            if 'oce' in spec:
+                cmake('.')
+                make('release')
+                if sys.platform != 'darwin': #FIXME
+                    make('run',parallel=False)