Merge pull request #1270 from davydden/pkg/mumps_scalapack_fix_blas

Pkg/mumps scalapack fix blas

2 files changed, 64 insertions, 43 deletions

diff --git a/var/spack/repos/builtin/packages/mumps/package.py b/var/spack/repos/builtin/packages/mumps/package.py
index 92c45c9b95..b85a6d2b94 100644
--- a/var/spack/repos/builtin/packages/mumps/package.py
+++ b/var/spack/repos/builtin/packages/mumps/package.py
@@ -23,7 +23,10 @@
 # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
 ##############################################################################
 from spack import *
-import os, sys, glob
+import os
+import sys
+import glob
+
 
 class Mumps(Package):
     """MUMPS: a MUltifrontal Massively Parallel sparse direct Solver"""
@@ -44,13 +47,11 @@ class Mumps(Package):
     variant('idx64', default=False, description='Use int64_t/integer*8 as default index type')
     variant('shared', default=True, description='Build shared libraries')
 
-
     depends_on('scotch + esmumps', when='~ptscotch+scotch')
     depends_on('scotch + esmumps + mpi', when='+ptscotch')
     depends_on('metis@5:', when='+metis')
     depends_on('parmetis', when="+parmetis")
     depends_on('blas')
-    depends_on('lapack')
     depends_on('scalapack', when='+mpi')
     depends_on('mpi', when='+mpi')
 
@@ -60,42 +61,52 @@ class Mumps(Package):
     # end before install
     # def patch(self):
     def write_makefile_inc(self):
-        if ('+parmetis' in self.spec or '+ptscotch' in self.spec) and '+mpi' not in self.spec:
-            raise RuntimeError('You cannot use the variants parmetis or ptscotch without mpi')
+        if ('+parmetis' in self.spec or '+ptscotch' in self.spec) and '+mpi' not in self.spec:  # NOQA: ignore=E501
+            raise RuntimeError('You cannot use the variants parmetis or ptscotch without mpi')  # NOQA: ignore=E501
 
-        makefile_conf = ["LIBBLAS = -L%s -lblas" % self.spec['blas'].prefix.lib]
+        makefile_conf = ["LIBBLAS = %s" % to_link_flags(
+            self.spec['blas'].blas_shared_lib)
+        ]
 
         orderings = ['-Dpord']
 
         if '+ptscotch' in self.spec or '+scotch' in self.spec:
             join_lib = ' -l%s' % ('pt' if '+ptscotch' in self.spec else '')
-            makefile_conf.extend(
-                ["ISCOTCH = -I%s" % self.spec['scotch'].prefix.include,
-                 "LSCOTCH = -L%s %s%s" % (self.spec['scotch'].prefix.lib,
-                                          join_lib,
-                                          join_lib.join(['esmumps', 'scotch', 'scotcherr']))])
+            makefile_conf.extend([
+                "ISCOTCH = -I%s" % self.spec['scotch'].prefix.include,
+                "LSCOTCH = -L%s %s%s" % (self.spec['scotch'].prefix.lib,
+                                         join_lib,
+                                         join_lib.join(['esmumps',
+                                                        'scotch',
+                                                        'scotcherr']))
+            ])
+
             orderings.append('-Dscotch')
             if '+ptscotch' in self.spec:
                 orderings.append('-Dptscotch')
 
         if '+parmetis' in self.spec and '+metis' in self.spec:
-            libname = 'parmetis' if '+parmetis' in self.spec else 'metis'
-            makefile_conf.extend(
-                ["IMETIS = -I%s" % self.spec['parmetis'].prefix.include,
-                 "LMETIS = -L%s -l%s -L%s -l%s" % (self.spec['parmetis'].prefix.lib, 'parmetis',self.spec['metis'].prefix.lib, 'metis')])
+            makefile_conf.extend([
+                "IMETIS = -I%s" % self.spec['parmetis'].prefix.include,
+                "LMETIS = -L%s -l%s -L%s -l%s" % (
+                    self.spec['parmetis'].prefix.lib, 'parmetis',
+                    self.spec['metis'].prefix.lib, 'metis')
+            ])
 
             orderings.append('-Dparmetis')
         elif '+metis' in self.spec:
-            makefile_conf.extend(
-                ["IMETIS = -I%s" % self.spec['metis'].prefix.include,
-                 "LMETIS = -L%s -l%s" % (self.spec['metis'].prefix.lib, 'metis')])
+            makefile_conf.extend([
+                "IMETIS = -I%s" % self.spec['metis'].prefix.include,
+                "LMETIS = -L%s -l%s" % (self.spec['metis'].prefix.lib, 'metis')
+            ])
 
             orderings.append('-Dmetis')
 
         makefile_conf.append("ORDERINGSF = %s" % (' '.join(orderings)))
 
         # when building shared libs need -fPIC, otherwise
-        # /usr/bin/ld: graph.o: relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC
+        # /usr/bin/ld: graph.o: relocation R_X86_64_32 against `.rodata.str1.1'
+        # can not be used when making a shared object; recompile with -fPIC
         fpic = '-fPIC' if '+shared' in self.spec else ''
         # TODO: test this part, it needs a full blas, scalapack and
         # partitionning environment with 64bit integers
@@ -104,7 +115,7 @@ class Mumps(Package):
                 # the fortran compilation flags most probably are
                 # working only for intel and gnu compilers this is
                 # perhaps something the compiler should provide
-                ['OPTF    = %s -O  -DALLOW_NON_INIT %s' % (fpic,'-fdefault-integer-8' if self.compiler.name == "gcc" else '-i8'),
+                ['OPTF    = %s -O  -DALLOW_NON_INIT %s' % (fpic, '-fdefault-integer-8' if self.compiler.name == "gcc" else '-i8'),  # NOQA: ignore=E501
                  'OPTL    = %s -O ' % fpic,
                  'OPTC    = %s -O -DINTSIZE64' % fpic])
         else:
@@ -113,7 +124,6 @@ class Mumps(Package):
                  'OPTL    = %s -O ' % fpic,
                  'OPTC    = %s -O ' % fpic])
 
-
         if '+mpi' in self.spec:
             makefile_conf.extend(
                 ["CC = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpicc'),
@@ -134,16 +144,17 @@ class Mumps(Package):
 
         if '+shared' in self.spec:
             if sys.platform == 'darwin':
-                # Building dylibs with mpif90 causes segfaults on 10.8 and 10.10. Use gfortran. (Homebrew)
+                # Building dylibs with mpif90 causes segfaults on 10.8 and
+                # 10.10. Use gfortran. (Homebrew)
                 makefile_conf.extend([
                     'LIBEXT=.dylib',
-                    'AR=%s -dynamiclib -Wl,-install_name -Wl,%s/$(notdir $@) -undefined dynamic_lookup -o ' % (os.environ['FC'],prefix.lib),
+                    'AR=%s -dynamiclib -Wl,-install_name -Wl,%s/$(notdir $@) -undefined dynamic_lookup -o ' % (os.environ['FC'], prefix.lib),  # NOQA: ignore=E501
                     'RANLIB=echo'
                 ])
             else:
                 makefile_conf.extend([
                     'LIBEXT=.so',
-                    'AR=$(FL) -shared -Wl,-soname -Wl,%s/$(notdir $@) -o' % prefix.lib,
+                    'AR=$(FL) -shared -Wl,-soname -Wl,%s/$(notdir $@) -o' % prefix.lib,  # NOQA: ignore=E501
                     'RANLIB=echo'
                 ])
         else:
@@ -153,9 +164,8 @@ class Mumps(Package):
                 'RANLIB = ranlib'
             ])
 
-
-        makefile_inc_template = join_path(os.path.dirname(self.module.__file__),
-                                          'Makefile.inc')
+        makefile_inc_template = join_path(
+            os.path.dirname(self.module.__file__), 'Makefile.inc')
         with open(makefile_inc_template, "r") as fh:
             makefile_conf.extend(fh.read().split('\n'))
 
@@ -164,8 +174,6 @@ class Mumps(Package):
                 makefile_inc = '\n'.join(makefile_conf)
                 fh.write(makefile_inc)
 
-
-
     def install(self, spec, prefix):
         make_libs = []
 
@@ -189,15 +197,15 @@ class Mumps(Package):
         install_tree('lib', prefix.lib)
         install_tree('include', prefix.include)
 
-        if '~mpi' in spec:            
+        if '~mpi' in spec:
             lib_dsuffix = '.dylib' if sys.platform == 'darwin' else '.so'
             lib_suffix = lib_dsuffix if '+shared' in spec else '.a'
             install('libseq/libmpiseq%s' % lib_suffix, prefix.lib)
-            for f in glob.glob(join_path('libseq','*.h')):
+            for f in glob.glob(join_path('libseq', '*.h')):
                 install(f, prefix.include)
 
-        # FIXME: extend the tests to mpirun -np 2 (or alike) when build with MPI
-        # FIXME: use something like numdiff to compare blessed output with the current
+        # FIXME: extend the tests to mpirun -np 2 when build with MPI
+        # FIXME: use something like numdiff to compare output files
         with working_dir('examples'):
             if '+float' in spec:
                 os.system('./ssimpletest < input_simpletest_real')
diff --git a/var/spack/repos/builtin/packages/netlib-scalapack/package.py b/var/spack/repos/builtin/packages/netlib-scalapack/package.py
index a8250a38de..f7733249cf 100644
--- a/var/spack/repos/builtin/packages/netlib-scalapack/package.py
+++ b/var/spack/repos/builtin/packages/netlib-scalapack/package.py
@@ -25,8 +25,10 @@
 from spack import *
 import sys
 
+
 class NetlibScalapack(Package):
-    """ScaLAPACK is a library of high-performance linear algebra routines for parallel distributed memory machines"""
+    """ScaLAPACK is a library of high-performance linear algebra routines for
+    parallel distributed memory machines"""
 
     homepage = "http://www.netlib.org/scalapack/"
     url      = "http://www.netlib.org/scalapack/scalapack-2.0.2.tgz"
@@ -48,10 +50,22 @@ class NetlibScalapack(Package):
 
     def install(self, spec, prefix):
         options = [
-            "-DBUILD_SHARED_LIBS:BOOL=%s" % ('ON' if '+shared' in spec else 'OFF'),
-            "-DBUILD_STATIC_LIBS:BOOL=%s" % ('OFF' if '+shared' in spec else 'ON'),
-            "-DUSE_OPTIMIZED_LAPACK_BLAS:BOOL=ON", # forces scalapack to use find_package(LAPACK)
-            ]
+            "-DBUILD_SHARED_LIBS:BOOL=%s" % ('ON' if '+shared' in spec else
+                                             'OFF'),
+            "-DBUILD_STATIC_LIBS:BOOL=%s" % ('OFF' if '+shared' in spec else
+                                             'ON'),
+            # forces scalapack to use find_package(LAPACK):
+            "-DUSE_OPTIMIZED_LAPACK_BLAS:BOOL=ON",
+        ]
+
+        # Make sure we use Spack's Lapack:
+        options.extend([
+            '-DLAPACK_FOUND=true',
+            '-DLAPACK_INCLUDE_DIRS=%s' % spec['lapack'].prefix.include,
+            '-DLAPACK_LIBRARIES=%s' % (
+                spec['lapack'].lapack_shared_lib if '+shared' in spec else
+                spec['lapack'].lapack_static_lib),
+        ])
 
         if '+fpic' in spec:
             options.extend([
@@ -66,16 +80,15 @@ class NetlibScalapack(Package):
             make()
             make("install")
 
-        # The shared libraries are not installed correctly on Darwin; correct this
+        # The shared libraries are not installed correctly on Darwin:
         if (sys.platform == 'darwin') and ('+shared' in spec):
             fix_darwin_install_name(prefix.lib)
 
-
     def setup_dependent_package(self, module, dependent_spec):
         spec = self.spec
-        lib_dsuffix = '.dylib' if sys.platform == 'darwin' else '.so'
-        lib_suffix = lib_dsuffix if '+shared' in spec else '.a'
+        lib_suffix = dso_suffix if '+shared' in spec else 'a'
 
         spec.fc_link = '-L%s -lscalapack' % spec.prefix.lib
         spec.cc_link = spec.fc_link
-        spec.libraries = [join_path(spec.prefix.lib, 'libscalapack%s' % lib_suffix)]
+        spec.libraries = [join_path(spec.prefix.lib,
+                                    'libscalapack.%s' % lib_suffix)]