Reworking of lapack_shared_libs
and similar properties (#1682)
* Turned <provider>_libs into an iterable Modifications : - added class LibraryList + unit tests - added convenience functions `find_libraries` and `dedupe` - modifed non Intel blas/lapack providers - modified packages using blas_shared_libs and similar functions * atlas : added pthread variant * intel packages : added lapack_libs and blas_libs * find_library_path : removed unused function * PR review : fixed last issues * LibraryList : added test on __add__ return type * LibraryList : added __radd__ fixed unit tests fix : failing unit tests due to missing `self` * cp2k and dependecies : fixed blas-lapack related statements in package.py
This commit is contained in:
parent
6b6f868f2a
commit
d848559f70
@ -2090,12 +2090,11 @@ Blas and Lapack libraries
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Different packages provide implementation of ``Blas`` and ``Lapack`` routines.
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The names of the resulting static and/or shared libraries differ from package
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to package. In order to make the ``install()`` method indifferent to the
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to package. In order to make the ``install()`` method independent of the
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choice of ``Blas`` implementation, each package which provides it
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sets up ``self.spec.blas_shared_lib`` and ``self.spec.blas_static_lib`` to
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point to the shared and static ``Blas`` libraries, respectively. The same
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applies to packages which provide ``Lapack``. Package developers are advised to
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use these variables, for example ``spec['blas'].blas_shared_lib`` instead of
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sets up ``self.spec.blas_libs`` to point to the correct ``Blas`` libraries.
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The same applies to packages which provide ``Lapack``. Package developers are advised to
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use these variables, for example ``spec['blas'].blas_libs.joined()`` instead of
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hard-coding ``join_path(spec['blas'].prefix.lib, 'libopenblas.so')``.
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^^^^^^^^^^^^^^^^^^^^^
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@ -22,18 +22,22 @@
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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import os
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import collections
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import errno
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import fileinput
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import getpass
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import glob
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import numbers
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import os
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import re
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import shutil
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import stat
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import errno
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import getpass
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from contextlib import contextmanager
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import subprocess
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import fileinput
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import sys
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from contextlib import contextmanager
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import llnl.util.tty as tty
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from llnl.util.lang import dedupe
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__all__ = ['set_install_permissions', 'install', 'install_tree',
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'traverse_tree',
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@ -42,8 +46,8 @@
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'filter_file',
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'FileFilter', 'change_sed_delimiter', 'is_exe', 'force_symlink',
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'set_executable', 'copy_mode', 'unset_executable_mode',
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'remove_dead_links', 'remove_linked_tree', 'find_library_path',
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'fix_darwin_install_name', 'to_link_flags', 'to_lib_name']
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'remove_dead_links', 'remove_linked_tree',
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'fix_darwin_install_name', 'find_libraries', 'LibraryList']
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def filter_file(regex, repl, *filenames, **kwargs):
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@ -326,7 +330,7 @@ def traverse_tree(source_root, dest_root, rel_path='', **kwargs):
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follow_links = kwargs.get('follow_link', False)
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# Yield in pre or post order?
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order = kwargs.get('order', 'pre')
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order = kwargs.get('order', 'pre')
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if order not in ('pre', 'post'):
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raise ValueError("Order must be 'pre' or 'post'.")
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@ -338,7 +342,7 @@ def traverse_tree(source_root, dest_root, rel_path='', **kwargs):
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return
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source_path = os.path.join(source_root, rel_path)
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dest_path = os.path.join(dest_root, rel_path)
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dest_path = os.path.join(dest_root, rel_path)
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# preorder yields directories before children
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if order == 'pre':
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@ -346,8 +350,8 @@ def traverse_tree(source_root, dest_root, rel_path='', **kwargs):
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for f in os.listdir(source_path):
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source_child = os.path.join(source_path, f)
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dest_child = os.path.join(dest_path, f)
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rel_child = os.path.join(rel_path, f)
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dest_child = os.path.join(dest_path, f)
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rel_child = os.path.join(rel_path, f)
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# Treat as a directory
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if os.path.isdir(source_child) and (
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@ -440,35 +444,162 @@ def fix_darwin_install_name(path):
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stdout=subprocess.PIPE).communicate()[0]
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break
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# Utilities for libraries
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def to_lib_name(library):
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"""Transforms a path to the library /path/to/lib<name>.xyz into <name>
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class LibraryList(collections.Sequence):
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"""Sequence of absolute paths to libraries
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Provides a few convenience methods to manipulate library paths and get
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commonly used compiler flags or names
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"""
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# Assume libXYZ.suffix
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return os.path.basename(library)[3:].split(".")[0]
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def __init__(self, libraries):
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self.libraries = list(libraries)
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@property
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def directories(self):
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"""Stable de-duplication of the directories where the libraries
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reside
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>>> l = LibraryList(['/dir1/liba.a', '/dir2/libb.a', '/dir1/libc.a'])
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>>> assert l.directories == ['/dir1', '/dir2']
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"""
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return list(dedupe(
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os.path.dirname(x) for x in self.libraries if os.path.dirname(x)
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))
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@property
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def basenames(self):
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"""Stable de-duplication of the base-names in the list
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>>> l = LibraryList(['/dir1/liba.a', '/dir2/libb.a', '/dir3/liba.a'])
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>>> assert l.basenames == ['liba.a', 'libb.a']
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"""
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return list(dedupe(os.path.basename(x) for x in self.libraries))
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@property
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def names(self):
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"""Stable de-duplication of library names in the list
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>>> l = LibraryList(['/dir1/liba.a', '/dir2/libb.a', '/dir3/liba.so'])
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>>> assert l.names == ['a', 'b']
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"""
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return list(dedupe(x.split('.')[0][3:] for x in self.basenames))
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@property
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def search_flags(self):
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"""Search flags for the libraries
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>>> l = LibraryList(['/dir1/liba.a', '/dir2/libb.a', '/dir1/liba.so'])
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>>> assert l.search_flags == '-L/dir1 -L/dir2'
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"""
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return ' '.join(['-L' + x for x in self.directories])
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@property
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def link_flags(self):
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"""Link flags for the libraries
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>>> l = LibraryList(['/dir1/liba.a', '/dir2/libb.a', '/dir1/liba.so'])
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>>> assert l.search_flags == '-la -lb'
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"""
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return ' '.join(['-l' + name for name in self.names])
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@property
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def ld_flags(self):
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"""Search flags + link flags
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>>> l = LibraryList(['/dir1/liba.a', '/dir2/libb.a', '/dir1/liba.so'])
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>>> assert l.search_flags == '-L/dir1 -L/dir2 -la -lb'
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"""
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return self.search_flags + ' ' + self.link_flags
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def __getitem__(self, item):
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cls = type(self)
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if isinstance(item, numbers.Integral):
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return self.libraries[item]
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return cls(self.libraries[item])
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def __add__(self, other):
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return LibraryList(dedupe(self.libraries + list(other)))
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def __radd__(self, other):
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return self.__add__(other)
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def __eq__(self, other):
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return self.libraries == other.libraries
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def __len__(self):
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return len(self.libraries)
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def joined(self, separator=' '):
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return separator.join(self.libraries)
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def __repr__(self):
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return self.__class__.__name__ + '(' + repr(self.libraries) + ')'
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def __str__(self):
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return self.joined()
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def to_link_flags(library):
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"""Transforms a path to a <library> into linking flags -L<dir> -l<name>.
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def find_libraries(args, root, shared=True, recurse=False):
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"""Returns an iterable object containing a list of full paths to
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libraries if found.
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Return:
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A string of linking flags.
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Args:
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args: iterable object containing a list of library names to \
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search for (e.g. 'libhdf5')
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root: root folder where to start searching
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shared: if True searches for shared libraries, otherwise for static
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recurse: if False search only root folder, if True descends top-down \
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from the root
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Returns:
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list of full paths to the libraries that have been found
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"""
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dir = os.path.dirname(library)
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name = to_lib_name(library)
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res = '-L%s -l%s' % (dir, name)
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return res
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if not isinstance(args, collections.Sequence) or isinstance(args, str):
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message = '{0} expects a sequence of strings as first argument'
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message += ' [got {1} instead]'
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raise TypeError(message.format(find_libraries.__name__, type(args)))
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# Construct the right suffix for the library
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if shared is True:
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suffix = 'dylib' if sys.platform == 'darwin' else 'so'
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else:
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suffix = 'a'
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# List of libraries we are searching with suffixes
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libraries = ['{0}.{1}'.format(lib, suffix) for lib in args]
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# Search method
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if recurse is False:
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search_method = _find_libraries_non_recursive
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else:
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search_method = _find_libraries_recursive
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return search_method(libraries, root)
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def find_library_path(libname, *paths):
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"""Searches for a file called <libname> in each path.
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def _find_libraries_recursive(libraries, root):
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library_dict = collections.defaultdict(list)
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for path, _, files in os.walk(root):
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for lib in libraries:
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if lib in files:
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library_dict[lib].append(
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join_path(path, lib)
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)
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answer = []
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for lib in libraries:
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answer.extend(library_dict[lib])
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return LibraryList(answer)
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Return:
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directory where the library was found, if found. None otherwise.
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"""
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for path in paths:
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library = join_path(path, libname)
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if os.path.exists(library):
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return path
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return None
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def _find_libraries_non_recursive(libraries, root):
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def lib_or_none(lib):
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library = join_path(root, lib)
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if not os.path.exists(library):
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return None
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return library
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return LibraryList(
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[lib_or_none(lib) for lib in libraries if lib_or_none(lib) is not None]
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)
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@ -374,6 +374,22 @@ def __iter__(self):
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return wrapper()
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def dedupe(sequence):
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"""Yields a stable de-duplication of an hashable sequence
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Args:
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sequence: hashable sequence to be de-duplicated
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Returns:
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stable de-duplication of the sequence
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"""
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seen = set()
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for x in sequence:
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if x not in seen:
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yield x
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seen.add(x)
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class RequiredAttributeError(ValueError):
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def __init__(self, message):
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@ -527,6 +527,13 @@ def __init__(self, spec_like, *dep_like, **kwargs):
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# XXX(deptype): default deptypes
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self._add_dependency(spec, ('build', 'link'))
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def __getattr__(self, item):
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"""Delegate to self.package if the attribute is not in the spec"""
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# This line is to avoid infinite recursion in case package is
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# not present among self attributes
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package = super(Spec, self).__getattribute__('package')
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return getattr(package, item)
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def get_dependency(self, name):
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dep = self._dependencies.get(name)
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if dep is not None:
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@ -53,6 +53,7 @@
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'git_fetch',
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'hg_fetch',
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'install',
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'library_list',
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'link_tree',
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'lock',
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'make_executable',
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111
lib/spack/spack/test/library_list.py
Normal file
111
lib/spack/spack/test/library_list.py
Normal file
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##############################################################################
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# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
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# Produced at the Lawrence Livermore National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/llnl/spack
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# Please also see the LICENSE file for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
|
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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import unittest
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from llnl.util.filesystem import LibraryList
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class LibraryListTest(unittest.TestCase):
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def setUp(self):
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l = [
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'/dir1/liblapack.a',
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'/dir2/libfoo.dylib',
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'/dir1/libblas.a',
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'/dir3/libbar.so',
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'libbaz.so'
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]
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self.liblist = LibraryList(l)
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def test_repr(self):
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x = eval(repr(self.liblist))
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self.assertEqual(self.liblist, x)
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def test_joined_and_str(self):
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s1 = self.liblist.joined()
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self.assertEqual(
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s1,
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'/dir1/liblapack.a /dir2/libfoo.dylib /dir1/libblas.a /dir3/libbar.so libbaz.so' # NOQA: ignore=E501
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)
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s2 = str(self.liblist)
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self.assertEqual(s1, s2)
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s3 = self.liblist.joined(';')
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self.assertEqual(
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s3,
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'/dir1/liblapack.a;/dir2/libfoo.dylib;/dir1/libblas.a;/dir3/libbar.so;libbaz.so' # NOQA: ignore=E501
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)
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def test_flags(self):
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search_flags = self.liblist.search_flags
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self.assertTrue('-L/dir1' in search_flags)
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self.assertTrue('-L/dir2' in search_flags)
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self.assertTrue('-L/dir3' in search_flags)
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self.assertTrue(isinstance(search_flags, str))
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link_flags = self.liblist.link_flags
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self.assertEqual(
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link_flags,
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'-llapack -lfoo -lblas -lbar -lbaz'
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)
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ld_flags = self.liblist.ld_flags
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self.assertEqual(ld_flags, search_flags + ' ' + link_flags)
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def test_paths_manipulation(self):
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names = self.liblist.names
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self.assertEqual(names, ['lapack', 'foo', 'blas', 'bar', 'baz'])
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directories = self.liblist.directories
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self.assertEqual(directories, ['/dir1', '/dir2', '/dir3'])
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def test_get_item(self):
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a = self.liblist[0]
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self.assertEqual(a, '/dir1/liblapack.a')
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b = self.liblist[:]
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self.assertEqual(type(b), type(self.liblist))
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self.assertEqual(self.liblist, b)
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self.assertTrue(self.liblist is not b)
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def test_add(self):
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pylist = [
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'/dir1/liblapack.a', # removed from the final list
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'/dir2/libbaz.so',
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'/dir4/libnew.a'
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]
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another = LibraryList(pylist)
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l = self.liblist + another
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self.assertEqual(len(l), 7)
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# Invariant : l == l + l
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self.assertEqual(l, l + l)
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# Always produce an instance of LibraryList
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self.assertEqual(
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type(self.liblist),
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type(self.liblist + pylist)
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||||
)
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||||
self.assertEqual(
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type(pylist + self.liblist),
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type(self.liblist)
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||||
)
|
@ -46,18 +46,20 @@ class Armadillo(Package):
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depends_on('hdf5', when='+hdf5')
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def install(self, spec, prefix):
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arpack = find_libraries(['libarpack'], root=spec[
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'arpack-ng'].prefix.lib, shared=True)
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superlu = find_libraries(['libsuperlu'], root=spec[
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'superlu'].prefix, shared=False, recurse=True)
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cmake_args = [
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||||
# ARPACK support
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||||
'-DARPACK_LIBRARY={0}/libarpack.{1}'.format(
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spec['arpack-ng'].prefix.lib, dso_suffix),
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||||
'-DARPACK_LIBRARY={0}'.format(arpack.joined()),
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||||
# BLAS support
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||||
'-DBLAS_LIBRARY={0}'.format(spec['blas'].blas_shared_lib),
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'-DBLAS_LIBRARY={0}'.format(spec['blas'].blas_libs.joined()),
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||||
# LAPACK support
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||||
'-DLAPACK_LIBRARY={0}'.format(spec['lapack'].lapack_shared_lib),
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'-DLAPACK_LIBRARY={0}'.format(spec['lapack'].lapack_libs.joined()),
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||||
# SuperLU support
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||||
'-DSuperLU_INCLUDE_DIR={0}'.format(spec['superlu'].prefix.include),
|
||||
'-DSuperLU_LIBRARY={0}/libsuperlu.a'.format(
|
||||
spec['superlu'].prefix.lib64),
|
||||
'-DSuperLU_LIBRARY={0}'.format(superlu.joined()),
|
||||
# HDF5 support
|
||||
'-DDETECT_HDF5={0}'.format('ON' if '+hdf5' in spec else 'OFF')
|
||||
]
|
||||
|
@ -88,17 +88,16 @@ def install(self, spec, prefix):
|
||||
options.append('-DCMAKE_INSTALL_NAME_DIR:PATH=%s/lib' % prefix)
|
||||
|
||||
# Make sure we use Spack's blas/lapack:
|
||||
lapack_libs = spec['lapack'].lapack_libs.joined()
|
||||
blas_libs = spec['blas'].blas_libs.joined()
|
||||
|
||||
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),
|
||||
'-DLAPACK_INCLUDE_DIRS={0}'.format(spec['lapack'].prefix.include),
|
||||
'-DLAPACK_LIBRARIES={0}'.format(lapack_libs),
|
||||
'-DBLAS_FOUND=true',
|
||||
'-DBLAS_INCLUDE_DIRS=%s' % spec['blas'].prefix.include,
|
||||
'-DBLAS_LIBRARIES=%s' % (
|
||||
spec['blas'].blas_shared_lib if '+shared' in spec else
|
||||
spec['blas'].blas_static_lib)
|
||||
'-DBLAS_INCLUDE_DIRS={0}'.format(spec['blas'].prefix.include),
|
||||
'-DBLAS_LIBRARIES={0}'.format(blas_libs)
|
||||
])
|
||||
|
||||
if '+mpi' in spec:
|
||||
@ -129,19 +128,12 @@ def install(self, spec, prefix):
|
||||
'F77=%s' % spec['mpi'].mpif77
|
||||
])
|
||||
|
||||
if '+shared' in spec:
|
||||
options.extend([
|
||||
'--with-blas=%s' % to_link_flags(
|
||||
spec['blas'].blas_shared_lib),
|
||||
'--with-lapack=%s' % to_link_flags(
|
||||
spec['lapack'].lapack_shared_lib)
|
||||
])
|
||||
else:
|
||||
options.extend([
|
||||
'--with-blas=%s' % spec['blas'].blas_static_lib,
|
||||
'--with-lapack=%s' % spec['lapack'].lapack_static_lib,
|
||||
'--enable-shared=no'
|
||||
])
|
||||
options.extend([
|
||||
'--with-blas={0}'.format(spec['blas'].blas_libs.ld_flags),
|
||||
'--with-lapack={0}'.format(spec['lapack'].lapack_libs.ld_flags)
|
||||
])
|
||||
if '+shared' not in spec:
|
||||
options.append('--enable-shared=no')
|
||||
|
||||
bootstrap()
|
||||
configure(*options)
|
||||
|
@ -51,6 +51,7 @@ class Atlas(Package):
|
||||
url='http://sourceforge.net/projects/math-atlas/files/Developer%20%28unstable%29/3.11.34/atlas3.11.34.tar.bz2')
|
||||
|
||||
variant('shared', default=True, description='Builds shared library')
|
||||
variant('pthread', default=False, description='Use multithreaded libraries')
|
||||
|
||||
provides('blas')
|
||||
provides('lapack')
|
||||
@ -107,18 +108,32 @@ def install(self, spec, prefix):
|
||||
make("install")
|
||||
self.install_test()
|
||||
|
||||
def setup_dependent_package(self, module, dspec):
|
||||
@property
|
||||
def blas_libs(self):
|
||||
# libsatlas.[so,dylib,dll ] contains all serial APIs (serial lapack,
|
||||
# serial BLAS), and all ATLAS symbols needed to support them. Whereas
|
||||
# libtatlas.[so,dylib,dll ] is parallel (multithreaded) version.
|
||||
name = 'libsatlas.%s' % dso_suffix
|
||||
libdir = find_library_path(name,
|
||||
self.prefix.lib64,
|
||||
self.prefix.lib)
|
||||
|
||||
is_threaded = '+pthread' in self.spec
|
||||
if '+shared' in self.spec:
|
||||
self.spec.blas_shared_lib = join_path(libdir, name)
|
||||
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
|
||||
to_find = ['libtatlas'] if is_threaded else ['libsatlas']
|
||||
shared = True
|
||||
else:
|
||||
interfaces = [
|
||||
'libptcblas',
|
||||
'libptf77blas'
|
||||
] if is_threaded else [
|
||||
'libcblas',
|
||||
'libf77blas'
|
||||
]
|
||||
to_find = ['liblapack'] + interfaces + ['libatlas']
|
||||
shared = False
|
||||
return find_libraries(
|
||||
to_find, root=self.prefix, shared=shared, recurse=True
|
||||
)
|
||||
|
||||
@property
|
||||
def lapack_libs(self):
|
||||
return self.blas_libs
|
||||
|
||||
def install_test(self):
|
||||
source_file = join_path(os.path.dirname(self.module.__file__),
|
||||
@ -126,9 +141,8 @@ def install_test(self):
|
||||
blessed_file = join_path(os.path.dirname(self.module.__file__),
|
||||
'test_cblas_dgemm.output')
|
||||
|
||||
include_flags = ["-I%s" % join_path(self.spec.prefix, "include")]
|
||||
link_flags = ["-L%s" % join_path(self.spec.prefix, "lib"),
|
||||
"-lsatlas"]
|
||||
include_flags = ["-I%s" % self.spec.prefix.include]
|
||||
link_flags = self.lapack_libs.ld_flags
|
||||
|
||||
output = compile_c_and_execute(source_file, include_flags, link_flags)
|
||||
compare_output_file(output, blessed_file)
|
||||
|
@ -95,7 +95,8 @@ def install(self, spec, prefix):
|
||||
fcflags.extend([
|
||||
'-I' + spec['fftw'].prefix.include
|
||||
])
|
||||
ldflags = ['-L' + spec['fftw'].prefix.lib]
|
||||
fftw = find_libraries(['libfftw3'], root=spec['fftw'].prefix.lib)
|
||||
ldflags = [fftw.search_flags]
|
||||
libs = []
|
||||
if '+plumed' in self.spec:
|
||||
# Include Plumed.inc in the Makefile
|
||||
@ -157,9 +158,8 @@ def install(self, spec, prefix):
|
||||
),
|
||||
'-I' + join_path(spec['pexsi'].prefix, 'fortran')
|
||||
])
|
||||
ldflags.extend([
|
||||
'-L' + spec['scalapack'].prefix.lib
|
||||
])
|
||||
scalapack = spec['scalapack'].scalapack_libs
|
||||
ldflags.append(scalapack.search_flags)
|
||||
libs.extend([
|
||||
join_path(spec['elpa'].prefix.lib,
|
||||
'libelpa.{0}'.format(dso_suffix)),
|
||||
@ -176,20 +176,15 @@ def install(self, spec, prefix):
|
||||
'libmetis.{0}'.format(dso_suffix)
|
||||
),
|
||||
])
|
||||
libs.extend(spec['scalapack'].scalapack_shared_libs)
|
||||
libs.extend(scalapack)
|
||||
libs.extend(self.spec['mpi'].mpicxx_shared_libs)
|
||||
libs.extend(self.compiler.stdcxx_libs)
|
||||
# LAPACK / BLAS
|
||||
ldflags.extend([
|
||||
'-L' + spec['lapack'].prefix.lib,
|
||||
'-L' + spec['blas'].prefix.lib
|
||||
])
|
||||
libs.extend([
|
||||
join_path(spec['fftw'].prefix.lib,
|
||||
'libfftw3.{0}'.format(dso_suffix)),
|
||||
spec['lapack'].lapack_shared_lib,
|
||||
spec['blas'].blas_shared_lib
|
||||
])
|
||||
lapack = spec['lapack'].lapack_libs
|
||||
blas = spec['blas'].blas_libs
|
||||
|
||||
ldflags.append((lapack + blas).search_flags)
|
||||
libs.extend([str(x) for x in (fftw, lapack, blas)])
|
||||
|
||||
# Write compiler flags to file
|
||||
mkf.write('CPPFLAGS = {0}\n'.format(' '.join(cppflags)))
|
||||
|
@ -123,6 +123,7 @@ def install(self, spec, prefix):
|
||||
options.remove(word)
|
||||
|
||||
dsuf = 'dylib' if sys.platform == 'darwin' else 'so'
|
||||
lapack_blas = spec['lapack'].lapack_libs + spec['blas'].blas_libs
|
||||
options.extend([
|
||||
'-DCMAKE_BUILD_TYPE=DebugRelease',
|
||||
'-DDEAL_II_COMPONENT_EXAMPLES=ON',
|
||||
@ -135,9 +136,7 @@ def install(self, spec, prefix):
|
||||
'-DLAPACK_FOUND=true',
|
||||
'-DLAPACK_INCLUDE_DIRS=%s;%s' % (
|
||||
spec['lapack'].prefix.include, spec['blas'].prefix.include),
|
||||
'-DLAPACK_LIBRARIES=%s;%s' % (
|
||||
spec['lapack'].lapack_shared_lib,
|
||||
spec['blas'].blas_shared_lib),
|
||||
'-DLAPACK_LIBRARIES=%s' % lapack_blas.joined(';'),
|
||||
'-DMUPARSER_DIR=%s' % spec['muparser'].prefix,
|
||||
'-DUMFPACK_DIR=%s' % spec['suite-sparse'].prefix,
|
||||
'-DTBB_DIR=%s' % spec['tbb'].prefix,
|
||||
|
@ -87,12 +87,12 @@ def configure(self, spec):
|
||||
# BLAS/LAPACK support
|
||||
# Note: BLAS/LAPACK must be compiled with OpenMP support
|
||||
# if the +openmp variant is chosen
|
||||
blas = 'blas.a'
|
||||
blas = 'blas.a'
|
||||
lapack = 'lapack.a'
|
||||
if '+blas' in spec:
|
||||
blas = spec['blas'].blas_shared_lib
|
||||
blas = spec['blas'].blas_libs.joined()
|
||||
if '+lapack' in spec:
|
||||
lapack = spec['lapack'].lapack_shared_lib
|
||||
lapack = spec['lapack'].lapack_libs.joined()
|
||||
# lapack must come before blas
|
||||
config['LIB_LPK'] = ' '.join([lapack, blas])
|
||||
|
||||
|
@ -87,9 +87,9 @@ def install(self, spec, prefix):
|
||||
options.append('-DENABLE_OS_SPECIFIC_INSTALL=OFF')
|
||||
|
||||
# Make sure GMSH picks up correct BlasLapack by providing linker flags
|
||||
options.append('-DBLAS_LAPACK_LIBRARIES=%s %s' %
|
||||
(to_link_flags(spec['lapack'].lapack_shared_lib),
|
||||
to_link_flags(spec['blas'].blas_shared_lib)))
|
||||
blas_lapack = spec['lapack'].lapack_libs + spec['blas'].blas_libs
|
||||
options.append(
|
||||
'-DBLAS_LAPACK_LIBRARIES={0}'.format(blas_lapack.ld_flags))
|
||||
|
||||
# Gmsh does not have an option to compile against external metis.
|
||||
# Its own Metis, however, fails to build
|
||||
|
@ -78,7 +78,7 @@ def configure(self, spec, arch):
|
||||
'MPlib = -L{0}'.format(spec['mpi'].prefix.lib),
|
||||
# Linear Algebra library (BLAS or VSIPL)
|
||||
'LAinc = {0}'.format(spec['blas'].prefix.include),
|
||||
'LAlib = {0}'.format(spec['blas'].blas_shared_lib),
|
||||
'LAlib = {0}'.format(spec['blas'].blas_libs.joined()),
|
||||
# F77 / C interface
|
||||
'F2CDEFS = -DAdd_ -DF77_INTEGER=int -DStringSunStyle',
|
||||
# HPL includes / libraries / specifics
|
||||
|
@ -60,13 +60,14 @@ def install(self, spec, prefix):
|
||||
# to command the linker to include whole static libs' content into the
|
||||
# shared lib
|
||||
# Note: --with-(lapack|blas)_libs= needs space separated list of names
|
||||
lapack = spec['lapack'].lapack_libs
|
||||
blas = spec['blas'].blas_libs
|
||||
|
||||
configure_args = [
|
||||
'--prefix=%s' % prefix,
|
||||
'--with-lapack-libs=%s' % to_lib_name(
|
||||
spec['lapack'].lapack_shared_lib),
|
||||
'--with-lapack-libs=%s' % lapack.names,
|
||||
'--with-lapack-lib-dirs=%s' % spec['lapack'].prefix.lib,
|
||||
'--with-blas-libs=%s' % to_lib_name(
|
||||
spec['blas'].blas_shared_lib),
|
||||
'--with-blas-libs=%s' % blas.names,
|
||||
'--with-blas-lib-dirs=%s' % spec['blas'].prefix.lib
|
||||
]
|
||||
|
||||
|
@ -45,6 +45,10 @@ class IntelParallelStudio(IntelInstaller):
|
||||
variant('tools', default=True, description="Install the Intel Advisor, "
|
||||
"VTune Amplifier, and Inspector tools")
|
||||
|
||||
variant('shared', default=True, description='Builds shared library')
|
||||
variant('ilp64', default=False, description='64 bit integers')
|
||||
variant('openmp', default=False, description='OpenMP multithreading layer')
|
||||
|
||||
provides('mpi', when='@cluster:+mpi')
|
||||
provides('mkl', when='+mkl')
|
||||
provides('daal', when='+daal')
|
||||
@ -55,6 +59,28 @@ class IntelParallelStudio(IntelInstaller):
|
||||
provides('lapack', when='+mkl')
|
||||
# TODO: MKL also provides implementation of Scalapack.
|
||||
|
||||
@property
|
||||
def blas_libs(self):
|
||||
shared = True if '+shared' in self.spec else False
|
||||
suffix = dso_suffix if '+shared' in self.spec else 'a'
|
||||
mkl_integer = ['libmkl_intel_ilp64'] if '+ilp64' in self.spec else ['libmkl_intel_lp64'] # NOQA: ignore=E501
|
||||
mkl_threading = ['libmkl_intel_thread'] if '+openmp' in self.spec else ['libmkl_sequential'] # NOQA: ignore=E501
|
||||
mkl_libs = find_libraries(
|
||||
mkl_integer + ['libmkl_core'] + mkl_threading,
|
||||
root=join_path(self.prefix.lib, 'intel64'),
|
||||
shared=shared
|
||||
)
|
||||
system_libs = [
|
||||
'libpthread.{0}'.format(suffix),
|
||||
'libm.{0}'.format(suffix),
|
||||
'libdl.{0}'.format(suffix)
|
||||
]
|
||||
return mkl_libs + system_libs
|
||||
|
||||
@property
|
||||
def lapack_libs(self):
|
||||
return self.blas_libs
|
||||
|
||||
def check_variants(self, spec):
|
||||
error_message = '\t{variant} can not be turned off if "+all" is set'
|
||||
|
||||
@ -171,24 +197,6 @@ def install(self, spec, prefix):
|
||||
os.symlink(os.path.join(self.prefix.man, "common", "man1"),
|
||||
os.path.join(self.prefix.man, "man1"))
|
||||
|
||||
def setup_dependent_package(self, module, dspec):
|
||||
# For now use Single Dynamic Library:
|
||||
# To set the threading layer at run time, use the
|
||||
# mkl_set_threading_layer function or set MKL_THREADING_LAYER
|
||||
# variable to one of the following values: INTEL, SEQUENTIAL, PGI.
|
||||
# To set interface layer at run time, use the mkl_set_interface_layer
|
||||
# function or set the MKL_INTERFACE_LAYER variable to LP64 or ILP64.
|
||||
|
||||
# Otherwise one would need to specify several libraries
|
||||
# (e.g. mkl_intel_lp64;mkl_sequential;mkl_core), which reflect
|
||||
# different interface and threading layers.
|
||||
|
||||
name = 'libmkl_rt.%s' % dso_suffix
|
||||
libdir = find_library_path(name, self.prefix.lib64, self.prefix.lib)
|
||||
|
||||
self.spec.blas_shared_lib = join_path(libdir, name)
|
||||
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
|
||||
|
||||
def setup_environment(self, spack_env, run_env):
|
||||
# TODO: Determine variables needed for the professional edition.
|
||||
|
||||
|
@ -24,13 +24,40 @@ class Mkl(IntelInstaller):
|
||||
version('11.3.3.210', 'f72546df27f5ebb0941b5d21fd804e34',
|
||||
url="file://%s/l_mkl_11.3.3.210.tgz" % os.getcwd())
|
||||
|
||||
variant('shared', default=True, description='Builds shared library')
|
||||
variant('ilp64', default=False, description='64 bit integers')
|
||||
variant('openmp', default=False, description='OpenMP multithreading layer')
|
||||
|
||||
# virtual dependency
|
||||
provides('blas')
|
||||
provides('lapack')
|
||||
# TODO: MKL also provides implementation of Scalapack.
|
||||
|
||||
def install(self, spec, prefix):
|
||||
@property
|
||||
def blas_libs(self):
|
||||
shared = True if '+shared' in self.spec else False
|
||||
suffix = dso_suffix if '+shared' in self.spec else 'a'
|
||||
mkl_integer = ['libmkl_intel_ilp64'] if '+ilp64' in self.spec else ['libmkl_intel_lp64'] # NOQA: ignore=E501
|
||||
mkl_threading = ['libmkl_sequential']
|
||||
if '+openmp' in spec:
|
||||
mkl_threading = ['libmkl_intel_thread'] if '%intel' in self.spec else ['libmkl_gnu_thread'] # NOQA: ignore=E501
|
||||
mkl_libs = find_libraries(
|
||||
mkl_integer + ['libmkl_core'] + mkl_threading,
|
||||
root=join_path(self.prefix.lib, 'intel64'),
|
||||
shared=shared
|
||||
)
|
||||
system_libs = [
|
||||
'libpthread.{0}'.format(suffix),
|
||||
'libm.{0}'.format(suffix),
|
||||
'libdl.{0}'.format(suffix)
|
||||
]
|
||||
return mkl_libs + system_libs
|
||||
|
||||
@property
|
||||
def lapack_libs(self):
|
||||
return self.blas_libs
|
||||
|
||||
def install(self, spec, prefix):
|
||||
self.intel_prefix = os.path.join(prefix, "pkg")
|
||||
IntelInstaller.install(self, spec, prefix)
|
||||
|
||||
@ -45,25 +72,6 @@ def install(self, spec, prefix):
|
||||
os.symlink(os.path.join(mkl_lib_dir, f),
|
||||
os.path.join(self.prefix, "lib", f))
|
||||
|
||||
def setup_dependent_package(self, module, dspec):
|
||||
# For now use Single Dynamic Library:
|
||||
# To set the threading layer at run time, use the
|
||||
# mkl_set_threading_layer function or set MKL_THREADING_LAYER
|
||||
# variable to one of the following values: INTEL, SEQUENTIAL, PGI.
|
||||
# To set interface layer at run time, use the mkl_set_interface_layer
|
||||
# function or set the MKL_INTERFACE_LAYER variable to LP64 or ILP64.
|
||||
|
||||
# Otherwise one would need to specify several libraries
|
||||
# (e.g. mkl_intel_lp64;mkl_sequential;mkl_core), which reflect
|
||||
# different interface and threading layers.
|
||||
|
||||
name = 'libmkl_rt.%s' % dso_suffix
|
||||
libdir = find_library_path(name, self.prefix.lib64, self.prefix.lib)
|
||||
|
||||
# Now set blas/lapack libs:
|
||||
self.spec.blas_shared_lib = join_path(libdir, name)
|
||||
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
|
||||
|
||||
def setup_dependent_environment(self, spack_env, run_env, dependent_spec):
|
||||
# set up MKLROOT for everyone using MKL package
|
||||
spack_env.set('MKLROOT', self.prefix)
|
||||
|
@ -75,9 +75,8 @@ def write_makefile_inc(self):
|
||||
raise RuntimeError(
|
||||
'You cannot use the variants parmetis or ptscotch without mpi')
|
||||
|
||||
makefile_conf = ["LIBBLAS = %s" % to_link_flags(
|
||||
self.spec['blas'].blas_shared_lib)
|
||||
]
|
||||
blas = self.spec['blas'].blas_libs
|
||||
makefile_conf = ["LIBBLAS = %s" % blas.ld_flags]
|
||||
|
||||
orderings = ['-Dpord']
|
||||
|
||||
@ -136,11 +135,12 @@ def write_makefile_inc(self):
|
||||
'OPTC = %s -O ' % fpic])
|
||||
|
||||
if '+mpi' in self.spec:
|
||||
scalapack = self.spec['scalapack'].scalapack_libs
|
||||
makefile_conf.extend(
|
||||
["CC = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpicc'),
|
||||
"FC = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpif90'),
|
||||
"FL = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpif90'),
|
||||
"SCALAP = %s" % self.spec['scalapack'].fc_link,
|
||||
"SCALAP = %s" % scalapack.ld_flags,
|
||||
"MUMPS_TYPE = par"])
|
||||
else:
|
||||
makefile_conf.extend(
|
||||
|
@ -67,6 +67,20 @@ def patch(self):
|
||||
'${CMAKE_CURRENT_SOURCE_DIR}/cmake/',
|
||||
'CBLAS/CMakeLists.txt', string=True)
|
||||
|
||||
@property
|
||||
def blas_libs(self):
|
||||
shared = True if '+shared' in self.spec else False
|
||||
return find_libraries(
|
||||
['libblas'], root=self.prefix, shared=shared, recurse=True
|
||||
)
|
||||
|
||||
@property
|
||||
def lapack_libs(self):
|
||||
shared = True if '+shared' in self.spec else False
|
||||
return find_libraries(
|
||||
['liblapack'], root=self.prefix, shared=shared, recurse=True
|
||||
)
|
||||
|
||||
def install_one(self, spec, prefix, shared):
|
||||
cmake_args = [
|
||||
'-DBUILD_SHARED_LIBS:BOOL=%s' % ('ON' if shared else 'OFF'),
|
||||
@ -100,18 +114,3 @@ def install(self, spec, prefix):
|
||||
# Build shared libraries if requested.
|
||||
if '+shared' in spec:
|
||||
self.install_one(spec, prefix, True)
|
||||
|
||||
def setup_dependent_package(self, module, dspec):
|
||||
# This is WIP for a prototype interface for virtual packages.
|
||||
# We can update this as more builds start depending on BLAS/LAPACK.
|
||||
libdir = find_library_path(
|
||||
'libblas.a', self.prefix.lib64, self.prefix.lib)
|
||||
|
||||
self.spec.blas_static_lib = join_path(libdir, 'libblas.a')
|
||||
self.spec.lapack_static_lib = join_path(libdir, 'liblapack.a')
|
||||
|
||||
if '+shared' in self.spec:
|
||||
self.spec.blas_shared_lib = join_path(
|
||||
libdir, 'libblas.%s' % dso_suffix)
|
||||
self.spec.lapack_shared_lib = join_path(
|
||||
libdir, 'liblapack.%s' % dso_suffix)
|
||||
|
@ -28,10 +28,11 @@
|
||||
|
||||
class NetlibScalapack(Package):
|
||||
"""ScaLAPACK is a library of high-performance linear algebra routines for
|
||||
parallel distributed memory machines"""
|
||||
parallel distributed memory machines
|
||||
"""
|
||||
|
||||
homepage = "http://www.netlib.org/scalapack/"
|
||||
url = "http://www.netlib.org/scalapack/scalapack-2.0.2.tgz"
|
||||
url = "http://www.netlib.org/scalapack/scalapack-2.0.2.tgz"
|
||||
|
||||
version('2.0.2', '2f75e600a2ba155ed9ce974a1c4b536f')
|
||||
version('2.0.1', '17b8cde589ea0423afe1ec43e7499161')
|
||||
@ -39,10 +40,16 @@ class NetlibScalapack(Package):
|
||||
# versions before 2.0.0 are not using cmake and requires blacs as
|
||||
# a separated package
|
||||
|
||||
variant('shared', default=True,
|
||||
description='Build the shared library version')
|
||||
variant('fpic', default=False,
|
||||
description="Build with -fpic compiler option")
|
||||
variant(
|
||||
'shared',
|
||||
default=True,
|
||||
description='Build the shared library version'
|
||||
)
|
||||
variant(
|
||||
'fpic',
|
||||
default=False,
|
||||
description='Build with -fpic compiler option'
|
||||
)
|
||||
|
||||
provides('scalapack')
|
||||
|
||||
@ -51,6 +58,13 @@ class NetlibScalapack(Package):
|
||||
depends_on('blas')
|
||||
depends_on('cmake', when='@2.0.0:', type='build')
|
||||
|
||||
@property
|
||||
def scalapack_libs(self):
|
||||
shared = True if '+shared' in self.spec else False
|
||||
return find_libraries(
|
||||
['libscalapack'], root=self.prefix, shared=shared, recurse=True
|
||||
)
|
||||
|
||||
def install(self, spec, prefix):
|
||||
options = [
|
||||
"-DBUILD_SHARED_LIBS:BOOL=%s" % ('ON' if '+shared' in spec else
|
||||
@ -60,14 +74,13 @@ def install(self, spec, prefix):
|
||||
]
|
||||
|
||||
# Make sure we use Spack's Lapack:
|
||||
blas = spec['blas'].blas_libs
|
||||
lapack = spec['lapack'].lapack_libs
|
||||
options.extend([
|
||||
'-DLAPACK_FOUND=true',
|
||||
'-DLAPACK_LIBRARIES=%s' % (
|
||||
spec['lapack'].lapack_shared_lib if '+shared' in spec else
|
||||
spec['lapack'].lapack_static_lib),
|
||||
'-DBLAS_LIBRARIES=%s' % (
|
||||
spec['blas'].blas_shared_lib if '+shared' in spec else
|
||||
spec['blas'].blas_static_lib)
|
||||
'-DLAPACK_INCLUDE_DIRS=%s' % spec['lapack'].prefix.include,
|
||||
'-DLAPACK_LIBRARIES=%s' % (lapack.joined()),
|
||||
'-DBLAS_LIBRARIES=%s' % (blas.joined())
|
||||
])
|
||||
|
||||
if '+fpic' in spec:
|
||||
@ -86,12 +99,3 @@ def install(self, spec, prefix):
|
||||
# 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_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)]
|
||||
|
@ -66,6 +66,9 @@ class Nwchem(Package):
|
||||
patch('Gcc6_macs_optfix.patch', when='@6.6', level=0)
|
||||
|
||||
def install(self, spec, prefix):
|
||||
scalapack = spec['scalapack'].scalapack_libs
|
||||
lapack = spec['lapack'].lapack_libs
|
||||
blas = spec['blas'].blas_libs
|
||||
# see http://www.nwchem-sw.org/index.php/Compiling_NWChem
|
||||
args = []
|
||||
args.extend([
|
||||
@ -79,13 +82,11 @@ def install(self, spec, prefix):
|
||||
'USE_PYTHONCONFIG=y',
|
||||
'PYTHONVERSION=%s' % spec['python'].version.up_to(2),
|
||||
'PYTHONHOME=%s' % spec['python'].prefix,
|
||||
'BLASOPT=%s %s' % (
|
||||
to_link_flags(spec['lapack'].lapack_shared_lib),
|
||||
to_link_flags(spec['blas'].blas_shared_lib)),
|
||||
'BLAS_LIB=%s' % to_link_flags(spec['blas'].blas_shared_lib),
|
||||
'LAPACK_LIB=%s' % to_link_flags(spec['lapack'].lapack_shared_lib),
|
||||
'BLASOPT=%s' % ((lapack + blas).ld_flags),
|
||||
'BLAS_LIB=%s' % blas.ld_flags,
|
||||
'LAPACK_LIB=%s' % lapack.ld_flags,
|
||||
'USE_SCALAPACK=y',
|
||||
'SCALAPACK=%s' % spec['scalapack'].fc_link,
|
||||
'SCALAPACK=%s' % scalapack.ld_flags,
|
||||
'NWCHEM_MODULES=all python',
|
||||
'NWCHEM_LONG_PATHS=Y' # by default NWCHEM_TOP is 64 char max
|
||||
])
|
||||
|
@ -46,13 +46,13 @@ class Octopus(Package):
|
||||
# FEAST, Libfm, PFFT, ISF, PNFFT
|
||||
|
||||
def install(self, spec, prefix):
|
||||
lapack = spec['lapack'].lapack_libs
|
||||
blas = spec['blas'].blas_libs
|
||||
args = []
|
||||
args.extend([
|
||||
'--prefix=%s' % prefix,
|
||||
'--with-blas=%s' % to_link_flags(
|
||||
spec['blas'].blas_shared_lib),
|
||||
'--with-lapack=%s' % to_link_flags(
|
||||
spec['lapack'].lapack_shared_lib),
|
||||
'--with-blas=%s' % blas.ld_flags,
|
||||
'--with-lapack=%s' % lapack.ld_flags,
|
||||
'--with-gsl-prefix=%s' % spec['gsl'].prefix,
|
||||
'--with-libxc-prefix=%s' % spec['libxc'].prefix,
|
||||
'CC=%s' % spec['mpi'].mpicc,
|
||||
|
@ -30,7 +30,7 @@
|
||||
class Openblas(Package):
|
||||
"""OpenBLAS: An optimized BLAS library"""
|
||||
homepage = "http://www.openblas.net"
|
||||
url = "http://github.com/xianyi/OpenBLAS/archive/v0.2.15.tar.gz"
|
||||
url = "http://github.com/xianyi/OpenBLAS/archive/v0.2.15.tar.gz"
|
||||
|
||||
version('0.2.19', '28c998054fd377279741c6f0b9ea7941')
|
||||
version('0.2.18', '805e7f660877d588ea7e3792cda2ee65')
|
||||
@ -51,6 +51,17 @@ class Openblas(Package):
|
||||
|
||||
patch('make.patch')
|
||||
|
||||
@property
|
||||
def blas_libs(self):
|
||||
shared = True if '+shared' in self.spec else False
|
||||
return find_libraries(
|
||||
['libopenblas'], root=self.prefix, shared=shared, recurse=True
|
||||
)
|
||||
|
||||
@property
|
||||
def lapack_libs(self):
|
||||
return self.blas_libs
|
||||
|
||||
def install(self, spec, prefix):
|
||||
# As of 06/2016 there is no mechanism to specify that packages which
|
||||
# depends on Blas/Lapack need C or/and Fortran symbols. For now
|
||||
@ -100,6 +111,9 @@ def install(self, spec, prefix):
|
||||
# no quotes around prefix (spack doesn't use a shell)
|
||||
make('install', "PREFIX=%s" % prefix, *make_defs)
|
||||
|
||||
# TODO : the links below are mainly there because client
|
||||
# TODO : packages are wrongly written. Check if they can be removed
|
||||
|
||||
# Blas virtual package should provide blas.a and libblas.a
|
||||
with working_dir(prefix.lib):
|
||||
symlink('libopenblas.a', 'blas.a')
|
||||
@ -120,21 +134,6 @@ def install(self, spec, prefix):
|
||||
# test.
|
||||
self.check_install(spec)
|
||||
|
||||
def setup_dependent_package(self, module, dspec):
|
||||
# This is WIP for a prototype interface for virtual packages.
|
||||
# We can update this as more builds start depending on BLAS/LAPACK.
|
||||
libdir = find_library_path('libopenblas.a',
|
||||
self.prefix.lib64,
|
||||
self.prefix.lib)
|
||||
|
||||
self.spec.blas_static_lib = join_path(libdir, 'libopenblas.a')
|
||||
self.spec.lapack_static_lib = self.spec.blas_static_lib
|
||||
|
||||
if '+shared' in self.spec:
|
||||
self.spec.blas_shared_lib = join_path(libdir, 'libopenblas.%s' %
|
||||
dso_suffix)
|
||||
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
|
||||
|
||||
def check_install(self, spec):
|
||||
source_file = join_path(os.path.dirname(self.module.__file__),
|
||||
'test_cblas_dgemm.c')
|
||||
|
@ -29,7 +29,7 @@ class Opium(Package):
|
||||
"""DFT pseudopotential generation project"""
|
||||
|
||||
homepage = "https://opium.sourceforge.net/index.html"
|
||||
url = "https://downloads.sourceforge.net/project/opium/opium/opium-v3.8/opium-v3.8-src.tgz"
|
||||
url = "https://downloads.sourceforge.net/project/opium/opium/opium-v3.8/opium-v3.8-src.tgz"
|
||||
|
||||
version('3.8', 'f710c0f869e70352b4a510c31e13bf9f')
|
||||
|
||||
@ -37,12 +37,8 @@ class Opium(Package):
|
||||
depends_on('lapack')
|
||||
|
||||
def install(self, spec, prefix):
|
||||
options = [
|
||||
'LDFLAGS=%s %s' % (
|
||||
to_link_flags(spec['lapack'].lapack_shared_lib),
|
||||
to_link_flags(spec['blas'].blas_shared_lib)
|
||||
)
|
||||
]
|
||||
libs = spec['lapack'].lapack_libs + spec['blas'].blas_libs
|
||||
options = ['LDFLAGS=%s' % libs.ld_flags]
|
||||
|
||||
configure(*options)
|
||||
with working_dir("src", create=False):
|
||||
|
@ -67,8 +67,8 @@ def install(self, spec, prefix):
|
||||
'@PARMETIS_PREFIX': self.spec['parmetis'].prefix,
|
||||
'@LAPACK_PREFIX': self.spec['lapack'].prefix,
|
||||
'@BLAS_PREFIX': self.spec['blas'].prefix,
|
||||
'@LAPACK_LIBS': self.spec['lapack'].lapack_shared_lib,
|
||||
'@BLAS_LIBS': self.spec['lapack'].blas_shared_lib,
|
||||
'@LAPACK_LIBS': self.spec['lapack'].lapack_libs.joined(),
|
||||
'@BLAS_LIBS': self.spec['lapack'].blas_libs.joined(),
|
||||
'@STDCXX_LIB': ' '.join(self.compiler.stdcxx_libs)
|
||||
}
|
||||
|
||||
|
@ -32,7 +32,7 @@ class Psi4(Package):
|
||||
a variety of molecular properties."""
|
||||
|
||||
homepage = "http://www.psicode.org/"
|
||||
url = "https://github.com/psi4/psi4/archive/0.5.tar.gz"
|
||||
url = "https://github.com/psi4/psi4/archive/0.5.tar.gz"
|
||||
|
||||
version('0.5', '53041b8a9be3958384171d0d22f9fdd0')
|
||||
|
||||
@ -62,9 +62,10 @@ class Psi4(Package):
|
||||
def install(self, spec, prefix):
|
||||
cmake_args = [
|
||||
'-DBLAS_TYPE={0}'.format(spec['blas'].name.upper()),
|
||||
'-DBLAS_LIBRARIES={0}'.format(spec['blas'].blas_shared_lib),
|
||||
'-DBLAS_LIBRARIES={0}'.format(spec['blas'].blas_libs.joined()),
|
||||
'-DLAPACK_TYPE={0}'.format(spec['lapack'].name.upper()),
|
||||
'-DLAPACK_LIBRARIES={0}'.format(spec['lapack'].lapack_shared_lib),
|
||||
'-DLAPACK_LIBRARIES={0}'.format(
|
||||
spec['lapack'].lapack_libs.joined()),
|
||||
'-DBOOST_INCLUDEDIR={0}'.format(spec['boost'].prefix.include),
|
||||
'-DBOOST_LIBRARYDIR={0}'.format(spec['boost'].prefix.lib),
|
||||
'-DENABLE_CHEMPS2=OFF'
|
||||
@ -90,9 +91,9 @@ def filter_compilers(self, spec, prefix):
|
||||
|
||||
kwargs = {'ignore_absent': True, 'backup': False, 'string': True}
|
||||
|
||||
cc_files = ['bin/psi4-config']
|
||||
cc_files = ['bin/psi4-config']
|
||||
cxx_files = ['bin/psi4-config', 'include/psi4/psiconfig.h']
|
||||
template = 'share/psi4/plugin/Makefile.template'
|
||||
template = 'share/psi4/plugin/Makefile.template'
|
||||
|
||||
for filename in cc_files:
|
||||
filter_file(os.environ['CC'], self.compiler.cc,
|
||||
|
@ -47,7 +47,7 @@ def install(self, spec, prefix):
|
||||
env['ATLAS'] = join_path(
|
||||
spec['atlas'].prefix.lib, 'libatlas.' + dso_suffix)
|
||||
else:
|
||||
env['BLAS'] = spec['blas'].blas_shared_lib
|
||||
env['LAPACK'] = spec['lapack'].lapack_shared_lib
|
||||
env['BLAS'] = spec['blas'].blas_libs.joined()
|
||||
env['LAPACK'] = spec['lapack'].lapack_libs.joined()
|
||||
|
||||
python('setup.py', 'install', '--prefix=%s' % prefix)
|
||||
|
@ -80,8 +80,8 @@ def install(self, spec, prefix):
|
||||
|
||||
# Make sure Spack's Blas/Lapack is used. Otherwise System's
|
||||
# Blas/Lapack might be picked up.
|
||||
blas = to_link_flags(spec['blas'].blas_shared_lib)
|
||||
lapack = to_link_flags(spec['lapack'].lapack_shared_lib)
|
||||
blas = spec['blas'].blas_libs.ld_flags
|
||||
lapack = spec['lapack'].lapack_libs.ld_flags
|
||||
if '@4.5.1' in spec:
|
||||
# adding -lstdc++ is clearly an ugly way to do this, but it follows
|
||||
# with the TCOV path of SparseSuite 4.5.1's Suitesparse_config.mk
|
||||
|
@ -31,7 +31,7 @@ class Sundials(Package):
|
||||
Solvers)"""
|
||||
|
||||
homepage = "http://computation.llnl.gov/casc/sundials/"
|
||||
url = "http://computation.llnl.gov/projects/sundials-suite-nonlinear-differential-algebraic-equation-solvers/download/sundials-2.6.2.tar.gz"
|
||||
url = "http://computation.llnl.gov/projects/sundials-suite-nonlinear-differential-algebraic-equation-solvers/download/sundials-2.6.2.tar.gz"
|
||||
|
||||
version('2.6.2', '3deeb0ede9f514184c6bd83ecab77d95')
|
||||
|
||||
@ -79,9 +79,9 @@ def install(self, spec, prefix):
|
||||
if '+lapack' in spec:
|
||||
cmake_args.extend([
|
||||
'-DLAPACK_ENABLE=ON',
|
||||
'-DLAPACK_LIBRARIES={0};{1}'.format(
|
||||
spec['lapack'].lapack_shared_lib,
|
||||
spec['blas'].blas_shared_lib
|
||||
'-DLAPACK_LIBRARIES={0}'.format(
|
||||
(spec['lapack'].lapack_libs +
|
||||
spec['blas'].blas_libs).joined(';')
|
||||
)
|
||||
])
|
||||
else:
|
||||
@ -113,7 +113,7 @@ def install(self, spec, prefix):
|
||||
elif '+pthread' in spec:
|
||||
cmake_args.append('-DSUPERLUMT_THREAD_TYPE=Pthread')
|
||||
else:
|
||||
msg = 'You must choose either +openmp or +pthread when '
|
||||
msg = 'You must choose either +openmp or +pthread when '
|
||||
msg += 'building with SuperLU_MT'
|
||||
raise RuntimeError(msg)
|
||||
else:
|
||||
|
@ -46,15 +46,14 @@ class SuperluDist(Package):
|
||||
depends_on('metis@5:')
|
||||
|
||||
def install(self, spec, prefix):
|
||||
lapack_blas = spec['lapack'].lapack_libs + spec['blas'].blas_libs
|
||||
makefile_inc = []
|
||||
makefile_inc.extend([
|
||||
'PLAT = _mac_x',
|
||||
'DSuperLUroot = %s' % self.stage.source_path,
|
||||
'DSUPERLULIB = $(DSuperLUroot)/lib/libsuperlu_dist.a',
|
||||
'BLASDEF = -DUSE_VENDOR_BLAS',
|
||||
'BLASLIB = %s %s' %
|
||||
(to_link_flags(spec['lapack'].lapack_shared_lib),
|
||||
to_link_flags(spec['blas'].blas_shared_lib)),
|
||||
'BLASLIB = %s' % lapack_blas.ld_flags,
|
||||
'METISLIB = -L%s -lmetis' % spec['metis'].prefix.lib,
|
||||
'PARMETISLIB = -L%s -lparmetis' % spec['parmetis'].prefix.lib,
|
||||
'FLIBS =',
|
||||
|
@ -42,7 +42,7 @@ def install(self, spec, prefix):
|
||||
'-DCMAKE_POSITION_INDEPENDENT_CODE=ON',
|
||||
# BLAS support
|
||||
'-Denable_blaslib=OFF',
|
||||
'-DBLAS_blas_LIBRARY={0}'.format(spec['blas'].blas_shared_lib)
|
||||
'-DBLAS_blas_LIBRARY={0}'.format(spec['blas'].blas_libs.joined())
|
||||
]
|
||||
|
||||
cmake_args.extend(std_cmake_args)
|
||||
|
@ -132,6 +132,8 @@ def install(self, spec, prefix):
|
||||
|
||||
mpi_bin = spec['mpi'].prefix.bin
|
||||
# Note: -DXYZ_LIBRARY_NAMES= needs semicolon separated list of names
|
||||
blas = spec['blas'].blas_libs
|
||||
lapack = spec['lapack'].lapack_libs
|
||||
options.extend([
|
||||
'-DTrilinos_ENABLE_ALL_PACKAGES:BOOL=ON',
|
||||
'-DTrilinos_ENABLE_ALL_OPTIONAL_PACKAGES:BOOL=ON',
|
||||
@ -145,12 +147,10 @@ def install(self, spec, prefix):
|
||||
'-DTPL_ENABLE_MPI:BOOL=ON',
|
||||
'-DMPI_BASE_DIR:PATH=%s' % spec['mpi'].prefix,
|
||||
'-DTPL_ENABLE_BLAS=ON',
|
||||
'-DBLAS_LIBRARY_NAMES=%s' % to_lib_name(
|
||||
spec['blas'].blas_shared_lib),
|
||||
'-DBLAS_LIBRARY_NAMES=%s' % ';'.join(blas.names),
|
||||
'-DBLAS_LIBRARY_DIRS=%s' % spec['blas'].prefix.lib,
|
||||
'-DTPL_ENABLE_LAPACK=ON',
|
||||
'-DLAPACK_LIBRARY_NAMES=%s' % to_lib_name(
|
||||
spec['lapack'].lapack_shared_lib),
|
||||
'-DLAPACK_LIBRARY_NAMES=%s' % ';'.join(lapack.names),
|
||||
'-DLAPACK_LIBRARY_DIRS=%s' % spec['lapack'].prefix.lib,
|
||||
'-DTrilinos_ENABLE_EXPLICIT_INSTANTIATION:BOOL=ON',
|
||||
'-DTrilinos_ENABLE_CXX11:BOOL=ON',
|
||||
|
@ -47,13 +47,12 @@ class Wannier90(Package):
|
||||
|
||||
def install(self, spec, prefix):
|
||||
|
||||
lapack = self.spec['lapack'].lapack_libs
|
||||
blas = self.spec['blas'].blas_libs
|
||||
substitutions = {
|
||||
'@F90': spack_fc,
|
||||
'@MPIF90': self.spec['mpi'].mpifc,
|
||||
'@LIBS': ' '.join([
|
||||
self.spec['lapack'].lapack_shared_lib,
|
||||
self.spec['lapack'].blas_shared_lib
|
||||
])
|
||||
'@LIBS': (lapack + blas).joined()
|
||||
}
|
||||
#######
|
||||
# TODO : this part is replicated in PEXSI
|
||||
|
Loading…
Reference in New Issue
Block a user