Add src

Author: bobleesj

src/diffpy/__init__.py

@@ -1,27 +1,23 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# diffpy            by DANSE Diffraction group
-#                   Simon J. L. Billinge
-#                   (c) 2008 The Trustees of Columbia University
-#                   in the City of New York.  All rights reserved.
+# (c) 2024 The Trustees of Columbia University in the City of New York.
+# All rights reserved.
 #
-# File coded by:    Chris Farrow
+# File coded by: Billinge Group members and community contributors.
 #
-# See AUTHORS.txt for a list of people who contributed.
-# See LICENSE_DANSE.txt for license information.
+# See GitHub contributions for a more detailed list of contributors.
+# https://github.com/diffpy/diffpy.srfit/graphs/contributors
+#
+# See LICENSE.rst for license information.
 #
 ##############################################################################
 
-"""diffpy - tools for structure analysis by diffraction.
-
-Blank namespace package.
-"""
+"""Blank namespace package for module diffpy."""
 
 
 from pkgutil import extend_path
 
 __path__ = extend_path(__path__, __name__)
 
-
 # End of file

src/diffpy/srfit/__init__.py

@@ -1,18 +1,19 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# diffpy.srfit      by DANSE Diffraction group
-#                   Simon J. L. Billinge
-#                   (c) 2008 The Trustees of Columbia University
-#                   in the City of New York.  All rights reserved.
+# (c) 2024 The Trustees of Columbia University in the City of New York.
+# All rights reserved.
 #
-# File coded by:    Chris Farrow
+# File coded by: Billinge Group members and community contributors.
 #
-# See AUTHORS.txt for a list of people who contributed.
-# See LICENSE_DANSE.txt for license information.
+# See GitHub contributions for a more detailed list of contributors.
+# https://github.com/diffpy/diffpy.srfit/graphs/contributors
+#
+# See LICENSE.rst for license information.
 #
 ##############################################################################
 
+
 """Complex modeling framework for structure refinement and solution.
 
 SrFit is a tool for coherently combining known information about a material to
@@ -31,9 +32,10 @@
 learn how to use and customize the various parts of SrFit.
 """
 
-__all__ = ["__version__"]
-
 # package version
 from diffpy.srfit.version import __version__
 
+# silence the pyflakes syntax checker
+assert __version__ or True
+
 # End of file

src/diffpy/srfit/equation/builder.py

@@ -666,10 +666,10 @@ def __wrapSrFitOperators():
     def is_exported_type(cls):
         """Check if the class should be wrapped as OperatorBuilder."""
         return (
-            inspect.isclass(cls) and
-            issubclass(cls, opmod.Operator) and
-            not inspect.isabstract(cls) and
-            cls not in excluded_types
+            inspect.isclass(cls)
+            and issubclass(cls, opmod.Operator)
+            and not inspect.isabstract(cls)
+            and cls not in excluded_types
         )
 
     # create OperatorBuilder objects

src/diffpy/srfit/interface/__init__.py

@@ -21,16 +21,12 @@
 """
 
 
-from diffpy.srfit.interface.interface import ParameterInterface
+from diffpy.srfit.interface.interface import FitRecipeInterface, ParameterInterface, RecipeOrganizerInterface
 
 _parameter_interface = ParameterInterface
 
-from diffpy.srfit.interface.interface import RecipeOrganizerInterface
-
 _recipeorganizer_interface = RecipeOrganizerInterface
 
-from diffpy.srfit.interface.interface import FitRecipeInterface
-
 _fitrecipe_interface = FitRecipeInterface
 
 # End of file

src/diffpy/srfit/structure/__init__.py

@@ -17,6 +17,10 @@
 interface and automatic structure constraint generation from space group
 information.
 """
+from diffpy.srfit.structure.sgconstraints import constrainAsSpaceGroup
+
+# silence pyflakes checker
+assert constrainAsSpaceGroup
 
 
 def struToParameterSet(name, stru):
@@ -54,10 +58,4 @@ def struToParameterSet(name, stru):
     raise TypeError("Unadaptable structure format")
 
 
-from diffpy.srfit.structure.sgconstraints import constrainAsSpaceGroup
-
-# silence pyflakes checker
-assert constrainAsSpaceGroup
-
-
 # End of file

src/diffpy/srfit/version.py

@@ -1,54 +1,26 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# diffpy.srfit      by DANSE Diffraction group
-#                   Simon J. L. Billinge
-#                   (c) 2008 The Trustees of Columbia University
-#                   in the City of New York.  All rights reserved.
+# (c) 2024 The Trustees of Columbia University in the City of New York.
+# All rights reserved.
 #
-# File coded by:    Chris Farrow
+# File coded by: Billinge Group members and community contributors.
 #
-# See AUTHORS.txt for a list of people who contributed.
-# See LICENSE_DANSE.txt for license information.
+# See GitHub contributions for a more detailed list of contributors.
+# https://github.com/diffpy/diffpy.srfit/graphs/contributors
+#
+# See LICENSE.rst for license information.
 #
 ##############################################################################
 
-"""
-Definition of __version__, __date__, __timestamp__, __git_commit__.
-
-Notes
------
-Variable `__gitsha__` is deprecated as of version 3.0.
-Use `__git_commit__` instead.
-"""
-
-__all__ = ["__date__", "__git_commit__", "__timestamp__", "__version__"]
-
-import os.path
-
-from pkg_resources import resource_filename
-
-# obtain version information from the version.cfg file
-cp = dict(version="", date="", commit="", timestamp="0")
-fcfg = resource_filename(__name__, "version.cfg")
-if not os.path.isfile(fcfg):  # pragma: no cover
-    from warnings import warn
-
-    warn('Package metadata not found, execute "./setup.py egg_info".')
-    fcfg = os.devnull
-with open(fcfg) as fp:
-    kwords = [[w.strip() for w in line.split(" = ", 1)] for line in fp if line[:1].isalpha() and " = " in line]
-assert all(w[0] in cp for w in kwords), "received unrecognized keyword"
-cp.update(kwords)
+"""Definition of __version__."""
 
-__version__ = cp["version"]
-__date__ = cp["date"]
-__git_commit__ = cp["commit"]
-__timestamp__ = int(cp["timestamp"])
+#  We do not use the other three variables, but can be added back if needed.
+#  __all__ = ["__date__", "__git_commit__", "__timestamp__", "__version__"]
 
-# TODO remove deprecated __gitsha__ in version 3.1.
-__gitsha__ = __git_commit__
+# obtain version information
+from importlib.metadata import version
 
-del cp, fcfg, fp, kwords
+__version__ = version("diffpy.srfit")
 
 # End of file