Merge pull request #674 from davydden/petsc_extra

extend petsc variants by mumps, complex and debug, fix headers in superlu_dist, add variant to hypre

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

@@ -14,6 +14,8 @@ class Hypre(Package):
 
     # hypre does not know how to build shared libraries on Darwin
     variant('shared', default=sys.platform!='darwin', description="Build shared library version (disables static library)")
+    # SuperluDist have conflicting headers with those in Hypre
+    variant('internal-superlu', default=True, description="Use internal Superlu routines")
 
     depends_on("mpi")
     depends_on("blas")
@@ -38,6 +40,9 @@ def install(self, spec, prefix):
         if '+shared' in self.spec:
             configure_args.append("--enable-shared")
 
+        if '~internal-superlu' in self.spec:
+            configure_args.append("--without-superlu")
+
         # Hypre's source is staged under ./src so we'll have to manually
         # cd into it.
         with working_dir("src"):

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

@@ -17,14 +17,18 @@ class Petsc(Package):
     version('3.5.1', 'a557e029711ebf425544e117ffa44d8f')
     version('3.4.4', '7edbc68aa6d8d6a3295dd5f6c2f6979d')
 
-    variant('shared', default=True, description='Enables the build of shared libraries')
+    variant('shared',  default=True,  description='Enables the build of shared libraries')
-    variant('mpi', default=True, description='Activates MPI support')
+    variant('mpi',     default=True,  description='Activates MPI support')
-    variant('double', default=True, description='Switches between single and double precision')
+    variant('double',  default=True,  description='Switches between single and double precision')
+    variant('complex', default=False, description='Build with complex numbers')
+    variant('debug',   default=False, description='Compile in debug mode')
 
-    variant('metis', default=True, description='Activates support for metis and parmetis')
+    variant('metis',   default=True,  description='Activates support for metis and parmetis')
-    variant('hdf5', default=True, description='Activates support for HDF5 (only parallel)')
+    variant('hdf5',    default=True,  description='Activates support for HDF5 (only parallel)')
-    variant('boost', default=True, description='Activates support for Boost')
+    variant('boost',   default=True,  description='Activates support for Boost')
-    variant('hypre', default=True, description='Activates support for Hypre')
+    variant('hypre',   default=True,  description='Activates support for Hypre (only parallel)')
+    variant('mumps',   default=True,  description='Activates support for MUMPS (only parallel)')
+    variant('superlu-dist', default=True, description='Activates support for SuperluDist (only parallel)')
 
     # Virtual dependencies
     depends_on('blas')
@@ -40,7 +44,13 @@ class Petsc(Package):
 
     depends_on('hdf5+mpi', when='+hdf5+mpi')
     depends_on('parmetis', when='+metis+mpi')
-    depends_on('hypre',    when='+hypre+mpi')
+    # Hypre does not support complex numbers.
+    # Also PETSc prefer to build it without internal superlu, likely due to conflict in headers
+    # see https://bitbucket.org/petsc/petsc/src/90564b43f6b05485163c147b464b5d6d28cde3ef/config/BuildSystem/config/packages/hypre.py
+    depends_on('hypre~internal-superlu', when='+hypre+mpi~complex')
+    depends_on('superlu-dist', when='+superlu-dist+mpi')
+    depends_on('mumps+mpi', when='+mumps+mpi')
+    depends_on('scalapack', when='+mumps+mpi')
 
     def mpi_dependent_options(self):
         if '~mpi' in self.spec:
@@ -55,7 +65,7 @@ def mpi_dependent_options(self):
             # If mpi is disabled (~mpi), it's an error to have any of these enabled.
             # This generates a list of any such errors.
             errors = [error_message_fmt.format(library=x)
-                      for x in ('hdf5', 'hypre', 'parmetis')
+                      for x in ('hdf5', 'hypre', 'parmetis','mumps','superlu-dist')
                       if ('+'+x) in self.spec]
             if errors:
                 errors = ['incompatible variants given'] + errors
@@ -77,16 +87,17 @@ def mpi_dependent_options(self):
         return compiler_opts
 
     def install(self, spec, prefix):
-        options = ['--with-debugging=0',
+        options = ['--with-ssl=0']
-                   '--with-ssl=0']
         options.extend(self.mpi_dependent_options())
         options.extend([
             '--with-precision=%s' % ('double' if '+double' in spec else 'single'),
+            '--with-scalar-type=%s' % ('complex' if '+complex' in spec else 'real'),
             '--with-shared-libraries=%s' % ('1' if '+shared' in spec else '0'),
+            '--with-debugging=%s' % ('1' if '+debug' in spec else '0'),
             '--with-blas-lapack-dir=%s' % spec['lapack'].prefix
         ])
         # Activates library support if needed
-        for library in ('metis', 'boost', 'hdf5', 'hypre', 'parmetis'):
+        for library in ('metis', 'boost', 'hdf5', 'hypre', 'parmetis','mumps','scalapack'):
             options.append(
                 '--with-{library}={value}'.format(library=library, value=('1' if library in spec else '0'))
             )
@@ -94,6 +105,17 @@ def install(self, spec, prefix):
                 options.append(
                     '--with-{library}-dir={path}'.format(library=library, path=spec[library].prefix)
                 )
+        # PETSc does not pick up SuperluDist from the dir as they look for superlu_dist_4.1.a
+        if 'superlu-dist' in spec:
+            options.extend([
+                '--with-superlu_dist-include=%s' % spec['superlu-dist'].prefix.include,
+                '--with-superlu_dist-lib=%s' % join_path(spec['superlu-dist'].prefix.lib, 'libsuperlu_dist.a'),
+                '--with-superlu_dist=1'
+            ])
+        else:
+            options.append(
+                '--with-superlu_dist=0'
+            )
 
         configure('--prefix=%s' % prefix, *options)
 

var/spack/repos/builtin/packages/superlu-dist/package.py

@@ -1,4 +1,5 @@
 from spack import *
+import glob
 
 class SuperluDist(Package):
     """A general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines."""
@@ -52,13 +53,13 @@ def install(self, spec, prefix):
         # system "make"
 
         # need to install by hand
-        headers_location = join_path(self.prefix.include,'superlu_dist')
+        headers_location = self.prefix.include
         mkdirp(headers_location)
         mkdirp(prefix.lib)
-        # FIXME: fetch all headers in the folder automatically
+
-        for header in ['Cnames.h','cublas_utils.h','dcomplex.h','html_mainpage.h','machines.h','old_colamd.h','psymbfact.h','superlu_ddefs.h','superlu_defs.h','superlu_enum_consts.h','superlu_zdefs.h','supermatrix.h','util_dist.h']:
+        headers = glob.glob(join_path(self.stage.source_path, 'SRC','*.h'))
-            superludist_header = join_path(self.stage.source_path, 'SRC/',header)
+        for h in headers:
-            install(superludist_header, headers_location)
+            install(h,headers_location)
 
         superludist_lib = join_path(self.stage.source_path, 'lib/libsuperlu_dist.a')
         install(superludist_lib,self.prefix.lib)