Initial commit

setup.py

@@ -0,0 +1,196 @@
+#!/usr/bin/env python
+"""Spectre: Sepectral wavefunction solver
+
+Spectre is a package designed to solve for the eigenvalues
+and corresponding wavefunctions of a N-dimesional (N <= 3) 
+potential using spectral methods.
+"""
+
+DOCLINES = __doc__.split('\n')
+
+CLASSIFIERS = """\
+Development Status :: 4 - Beta
+Intended Audience :: Science/Research
+License :: OSI Approved :: BSD License
+Programming Language :: Python
+Programming Language :: Python :: 3
+Topic :: Scientific/Engineering
+Operating System :: MacOS
+Operating System :: POSIX
+Operating System :: Unix
+Operating System :: Microsoft :: Windows
+"""
+
+# import statements
+import os, subprocess
+import sys
+
+# The following is required to get unit tests up and running.
+# If the user doesn't have, then that's OK, we'll just skip unit tests.
+try:
+    import setuptools
+    TEST_SUITE = 'nose.collector'
+    TESTS_REQUIRE = ['nose']
+    EXTRA_KWARGS = {
+        'test_suite': TEST_SUITE,
+        'tests_require': TESTS_REQUIRE
+    }
+except:
+    EXTRA_KWARGS = {}
+
+try:
+    import numpy as np
+    from numpy.distutils.core import setup
+except ImportError:
+    np = None
+    try:
+        from setuptools import setup
+    except ImportError:
+        from distutils.core import setup
+
+spectre_root = os.path.dirname(os.path.abspath(__file__))
+# all information about QuTiP goes here
+MAJOR = 0
+MINOR = 1
+MICRO = 0
+ISRELEASED = False
+VERSION = '%d.%d.%d' % (MAJOR, MINOR, MICRO)
+REQUIRES = ['numpy (>=1.8)', 'scipy (>=0.15)']
+INSTALL_REQUIRES = ['numpy>=1.8', 'scipy>=0.15']
+PACKAGES = ['spectre']
+PACKAGE_DATA = {}
+# If we're missing numpy, exclude import directories until we can
+# figure them out properly.
+INCLUDE_DIRS = []
+EXT_MODULES = []
+NAME = "spectre"
+AUTHOR = "Paul D. Nation"
+AUTHOR_EMAIL = "[email protected]"
+LICENSE = "BSD"
+DESCRIPTION = DOCLINES[0]
+LONG_DESCRIPTION = "\n".join(DOCLINES[2:])
+KEYWORDS = "quantum physics wavefunction"
+URL = "http://qutip.org"
+CLASSIFIERS = [_f for _f in CLASSIFIERS.split('\n') if _f]
+PLATFORMS = ["Linux", "Mac OSX", "Unix", "Windows"]
+
+def get_version_from_git():
+    try:
+        p = subprocess.Popen(['git', 'rev-parse', '--show-toplevel'],
+                             cwd=spectre_root,
+                             stdout=subprocess.PIPE, stderr=subprocess.PIPE)
+    except OSError:
+        return
+    if p.wait() != 0:
+        return
+    if not os.path.samefile(p.communicate()[0].decode().rstrip('\n'), spectre_root):
+        # The top-level directory of the current Git repository is not the same
+        # as the root directory of the source distribution: do not extract the
+        # version from Git.
+        return
+
+    # git describe --first-parent does not take into account tags from branches
+    # that were merged-in.
+    for opts in [['--first-parent'], []]:
+        try:
+            p = subprocess.Popen(['git', 'describe', '--long'] + opts,
+                                 cwd=spectre_root,
+                                 stdout=subprocess.PIPE, stderr=subprocess.PIPE)
+        except OSError:
+            return
+        if p.wait() == 0:
+            break
+    else:
+        return
+    description = p.communicate()[0].decode().strip('v').rstrip('\n')
+
+    release, dev, git = description.rsplit('-', 2)
+    version = [VERSION]
+    labels = []
+    if dev != "0":
+        version.append(".dev{}".format(dev))
+        labels.append(git)
+
+    try:
+        p = subprocess.Popen(['git', 'diff', '--quiet'], cwd=spectre_root)
+    except OSError:
+        labels.append('confused') # This should never happen.
+
+    if labels:
+        version.append('+')
+        version.append(".".join(labels))
+
+    return "".join(version)
+
+if ISRELEASED:
+    FULLVERSION = VERSION
+else:
+    FULLVERSION = get_version_from_git()
+
+if np is None:
+    EXTRA_KWARGS['version'] = FULLVERSION
+
+def write_version_py(filename='spectre/version.py'):
+    cnt = """\
+# THIS FILE IS GENERATED FROM SPECTRE SETUP.PY
+short_version = '%(version)s'
+version = '%(fullversion)s'
+release = %(isrelease)s
+"""
+    a = open(filename, 'w')
+    try:
+        a.write(cnt % {'version': VERSION, 'fullversion':
+                FULLVERSION, 'isrelease': str(ISRELEASED)})
+    finally:
+        a.close()
+
+local_path = os.path.dirname(os.path.abspath(sys.argv[0]))
+os.chdir(local_path)
+sys.path.insert(0, local_path)
+sys.path.insert(0, os.path.join(local_path, 'spectre'))  # to retrive _version
+
+# always rewrite _version
+if os.path.exists('spectre/version.py'):
+    os.remove('spectre/version.py')
+
+write_version_py()
+
+
+# using numpy distutils to simplify install of data directory for testing
+def configuration(parent_package='', top_path=None):
+    from numpy.distutils.misc_util import Configuration
+
+    config = Configuration(None, parent_package, top_path)
+    config.set_options(ignore_setup_xxx_py=True,
+                       assume_default_configuration=True,
+                       delegate_options_to_subpackages=True,
+                       quiet=True)
+
+    config.add_subpackage('spectre')
+    config.get_version('spectre/version.py')  # sets config.version
+
+    return config
+
+
+# Setup commands go here
+setup(
+    name = NAME,
+    configuration = configuration,
+    packages = PACKAGES,
+    include_dirs = INCLUDE_DIRS,
+    ext_modules = EXT_MODULES,
+    author = AUTHOR,
+    author_email = AUTHOR_EMAIL,
+    license = LICENSE,
+    description = DESCRIPTION,
+    long_description = LONG_DESCRIPTION,
+    keywords = KEYWORDS,
+    url = URL,
+    classifiers = CLASSIFIERS,
+    platforms = PLATFORMS,
+    requires = REQUIRES,
+    package_data = PACKAGE_DATA,
+    zip_safe = False,
+    install_requires=INSTALL_REQUIRES,
+    **EXTRA_KWARGS
+)

spectre/__init__.py

@@ -0,0 +1,38 @@
+# This file is part of QuTiP: Quantum Toolbox in Python.
+#
+#    Copyright (c) 2011 and later, Paul D. Nation and Robert J. Johansson.
+#    All rights reserved.
+#
+#    Redistribution and use in source and binary forms, with or without
+#    modification, are permitted provided that the following conditions are
+#    met:
+#
+#    1. Redistributions of source code must retain the above copyright notice,
+#       this list of conditions and the following disclaimer.
+#
+#    2. Redistributions in binary form must reproduce the above copyright
+#       notice, this list of conditions and the following disclaimer in the
+#       documentation and/or other materials provided with the distribution.
+#
+#    3. Neither the name of the QuTiP: Quantum Toolbox in Python nor the names
+#       of its contributors may be used to endorse or promote products derived
+#       from this software without specific prior written permission.
+#
+#    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+#    "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+#    LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A
+#    PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+#    HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+#    SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+#    LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+#    DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+#    THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+#    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+#    OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+###############################################################################
+from __future__ import division, print_function, absolute_import
+
+from spectre.eigensolver import *
+
+
+