update copyright notices and clarify licenes

LICENSE

@@ -18,12 +18,15 @@ in the following folders and subfolders:
 
 are all placed in the "Public Domain" using the CC0 1.0 dedication.
 
-The files in the folder 'python/xraydb' are copyrighted by the lead authors and
-copyrighted using an MIT License, which allows for distribution and re-use of
-the source code with the only restriction being to not remove the notice of
-copyright.  Each of these files will have an explicit notice of copyright and
-license for use.  For files that do not explicitly carry a notice copyrighted,
-no claim of copyright is made and the CC0 1.0 dedication applies.
+The files in the folder 'python' and 'python/xraydb' are copyrighted
+by the lead authors and copyrighted using an MIT License, which allows
+for distribution and re-use of the source code with the only
+restriction being to not remove the notice of copyright.  Each of
+these files will have an explicit notice of copyright and license for
+use.
+
+For files that do not explicitly carry a notice copyrighted, no claim
+of copyright is made and the CC0 1.0 dedication applies.
 
 The Creative Commons 1.0 Universal (CC0 1.0) Public Domain Dedication
 (https://creativecommons.org/publicdomain/zero/1.0/):

doc/_templates/indexsidebar.html

@@ -25,7 +25,7 @@ <h3>XrayDB Web App</h3>
 <ul>
    <li>&nbsp; &nbsp;<a href="https://xraydb.xrayabsorption.org">
        [email protected]</a></li>
-   <li>&nbsp; &nbsp;<a href="https://seescience.org/xraydb">
+   <li>&nbsp; &nbsp;<a href="https://millenia.cars.aps.anl.gov/xraydb">
        xraydb@SEES</a></li>
  </ul>
 

doc/installation.rst

@@ -45,5 +45,19 @@ failures.
 Copyright, Licensing, and Re-distribution
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
+The original sources of the data included here are mostly based on published
+works with the clear intent of providing data to the general public.  Some of
+the datasets here do not have clear statements of copyright or license, but
+have been freely available for many years. The work here is a compilation and
+reformatting of those datasets.
+
+To the extent possible, and unless otherwise stated, the database files, data
+sources, and documentation files here are placed in the public domain, using
+the Creative Commons 1.0 Universal (CC0 1.0) Public Domain Dedication below.
+
+As an important note, the Python code in the `xraydb` package is
+copyrighted and available under the terms of the MIT License.
+
+
 .. literalinclude:: ../LICENSE
   :language: none

python/LICENSE

@@ -1,6 +1,6 @@
 The MIT Licene
 
-Copyright 2023  Matthew Newville, The University of Chicago, [email protected]
+Copyright 2025  Matthew Newville, The University of Chicago, [email protected]
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of this software and
 associated documentation files (the "Software"), to deal in the Software without restriction,

python/xraydb/chemparser.py

@@ -1,23 +1,24 @@
 #!/usr/bin/env python
-#
-# Chemical Formula Parser:
-#
-#  returns dictionary of total atomic composition
-#  supports floats for complex stoichiometries
-#
-#    >>>> from xraydb import chemparse
-#    >>> chemparse('H2O')
-#    {'H': 2.0, 'O': 0}
-#    >>> chempars('Mn(SO4)2(H2O)7)')
-#    {'H': 14.0, 'S': 2.0, 'Mn': 1, 'O': 15.0}
-#    >>> chemparse('Zn1.e-5Fe3O4')
-#    {'Zn': 1e-05, 'Fe': 3.0, 'O': 4.0}
-#
-# based (heavily) on chemical formula parser from Tim Peters
-# modified (simplified to not compute molecular weights here,
-# extended to support floating point, made into Parser class)
-#   Matt Newville  Univ Chicago  Jan-2013
-#
+"""
+ Chemical Formula Parser:
+
+  returns dictionary of total atomic composition
+  supports floats for complex stoichiometries
+
+   >>>> from xraydb import chemparse
+   >>> chemparse('H2O')
+   {'H': 2.0, 'O': 0}
+   >>> chempars('Mn(SO4)2(H2O)7)')
+   {'H': 14.0, 'S': 2.0, 'Mn': 1, 'O': 15.0}
+   >>> chemparse('Zn1.e-5Fe3O4')
+   {'Zn': 1e-05, 'Fe': 3.0, 'O': 4.0}
+
+This is based heavily on chemical formula parser from Tim Peters,
+modified (simplified to not compute molecular weights here,
+and extended to support floating point, made into Parser class.
+  Matt Newville  Univ Chicago  Jan-2013
+
+"""
 
 from re import compile as re_compile
 class Element:

python/xraydb/materials.py

@@ -1,5 +1,8 @@
 """
 Materials dictionary
+
+Copyright 2025  Matthew Newville, The University of Chicago, [email protected]
+using the MIT license
 """
 import os
 from collections import namedtuple

python/xraydb/xray.py

@@ -1,5 +1,8 @@
 """
 calculations using XrayDB
+
+Copyright 2025  Matthew Newville, The University of Chicago, [email protected]
+using the MIT license
 """
 from collections import namedtuple
 import numpy as np

python/xraydb/xraydb.py

@@ -4,6 +4,9 @@
      Elam et al, Chantler et al, Waasmaier and Kirfel
 
 Main Class for full Database:  xrayDB
+
+Copyright 2025  Matthew Newville, The University of Chicago, [email protected]
+using the MIT license
 """
 
 import os