adopt NEP 29 (#111)

- fix #102
- adopt NEP 29
- removed support for Python 2.7 and Python <3.7
  - removed six as dependency (setup.py and CI)
  - removed all `from __future__ import ...` statements
  - removed special Python division handling (and tests)
- update CHANGELOG
- set pip metadata to MATURE

Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>

Author: orbeckst

.github/workflows/gh-ci.yaml

@@ -23,16 +23,12 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest, ]
-        python-version: [2.7, 3.5, 3.6, 3.7, 3.8, 3.9, "3.10"]
+        python-version: ["3.8", "3.9", "3.10"]
         include:
           - os: windows-latest
-            python-version: 2.7	
-          - os: windows-latest
-            python-version: 3.9
-          - os: macos-latest
-            python-version: 2.7	    
+            python-version: "3.9"
           - os: macos-latest
-            python-version: 3.9
+            python-version: "3.9"
 
     steps:
     - uses: actions/checkout@v2
@@ -49,7 +45,7 @@ jobs:
 
     - name: install package deps
       run: |
-        mamba install numpy scipy mrcfile six pytest pytest-cov codecov
+        mamba install numpy scipy mrcfile pytest pytest-cov codecov
 
     - name: check install
       run: |

CHANGELOG

@@ -13,6 +13,16 @@ The rules for this file:
   * accompany each entry with github issue/PR number (Issue #xyz)
 
 ------------------------------------------------------------------------------
+04/30/2022 orbeckst, IAlibay
+
+  * 1.0.0
+
+  Changes
+
+  * gridDataFormats now follows NEP29 (#102)
+  * removed support for Python 2.7 and Python <3.8 (#102)
+
+
 02/20/2022 orbeckst, tluchko, IAlibay
 
   * 0.7.0

ci/requirements.txt

@@ -1,4 +1,3 @@
-six
 numpy
 scipy
 sphinx-sitemap

gridData/CCP4.py

@@ -132,7 +132,6 @@
 import warnings
 import struct
 import numpy as np
-from six.moves import range
 
 from .gOpenMol import Record
 

gridData/OpenDX.py

@@ -164,12 +164,8 @@
 ---------------------
 
 """
-from __future__ import absolute_import, division, with_statement
-
 import numpy
 import re
-from six import next
-from six.moves import range
 import gzip
 
 import warnings

gridData/core.py

@@ -23,15 +23,9 @@
 ---------------------
 
 """
-# Having consistent truedivision in this module is essential so that
-# its behavior is fully consistent in Python 2 and Python 3.
-from __future__ import absolute_import, division
-
-import six
-from six.moves import cPickle, range, zip
-
 import os
 import errno
+import pickle
 
 import numpy
 
@@ -226,7 +220,7 @@ def __init__(self, grid=None, edges=None, origin=None, delta=None,
         self.interpolation_cval = None  # default to using min(grid)
 
         if grid is not None:
-            if isinstance(grid, six.string_types):
+            if isinstance(grid, str):
                 # can probably safely try to load() it...
                 filename = grid
             else:
@@ -555,7 +549,7 @@ def load(self, filename, file_format=None):
 
     def _load_python(self, filename):
         with open(filename, 'rb') as f:
-            saved = cPickle.load(f)
+            saved = pickle.load(f)
         self._load(grid=saved['grid'],
                    edges=saved['edges'],
                    metadata=saved['metadata'])
@@ -641,7 +635,7 @@ def _export_python(self, filename, **kwargs):
         """
         data = dict(grid=self.grid, edges=self.edges, metadata=self.metadata)
         with open(filename, 'wb') as f:
-            cPickle.dump(data, f, cPickle.HIGHEST_PROTOCOL)
+            pickle.dump(data, f, pickle.HIGHEST_PROTOCOL)
 
     def _export_dx(self, filename, type=None, typequote='"', **kwargs):
         """Export the density grid to an OpenDX file.
@@ -835,23 +829,9 @@ def __mul__(self, other):
         return self.__class__(self.grid * _grid(other), edges=self.edges)
 
     def __truediv__(self, other):
-        # truediv will always do true division (in Python 2 and Python 3);
-        # we use from __future__ include division everywhere
         self.check_compatible(other)
         return self.__class__(self.grid / _grid(other), edges=self.edges)
 
-    def __div__(self, other):
-        # in Python 2 only (without __future__.division): will do "classic division"
-        # https://docs.python.org/2/reference/datamodel.html#object.__div__
-        if not six.PY2:
-            raise NotImplementedError(
-                "__div__ is only available in Python 2, use __truediv__")
-        self.check_compatible(other)
-        return self.__class__(
-            self.grid.__div__(
-                _grid(other)),
-            edges=self.edges)
-
     def __floordiv__(self, other):
         self.check_compatible(other)
         return self.__class__(self.grid // _grid(other), edges=self.edges)
@@ -880,18 +860,6 @@ def __rtruediv__(self, other):
         self.check_compatible(other)
         return self.__class__(_grid(other) / self.grid, edges=self.edges)
 
-    def __rdiv__(self, other):
-        # in Python 2 only (without __future__.division): will do "classic division"
-        # https://docs.python.org/2/reference/datamodel.html#object.__div__
-        if not six.PY2:
-            raise NotImplementedError(
-                "__rdiv__ is only available in Python 2, use __rtruediv__")
-        self.check_compatible(other)
-        return self.__class__(
-            self.grid.__rdiv__(
-                _grid(other)),
-            edges=self.edges)
-
     def __rfloordiv__(self, other):
         self.check_compatible(other)
         return self.__class__(_grid(other) // self.grid, edges=self.edges)

gridData/gOpenMol.py

@@ -127,13 +127,9 @@
 -------
 
 """
-
-from __future__ import absolute_import, division, with_statement
-
 import warnings
 import struct
 import numpy
-from six.moves import range
 
 class Record(object):
     def __init__(self, key, bintype, values=None):

gridData/mrc.py

@@ -31,9 +31,6 @@
 -------
 
 """
-from __future__ import absolute_import
-from six.moves import range
-
 import numpy as np
 import mrcfile
 

gridData/tests/test_dx.py

@@ -1,5 +1,3 @@
-from __future__ import absolute_import, division
-
 import numpy as np
 from numpy.testing import assert_equal, assert_almost_equal
 

gridData/tests/test_gOpenMol.py

@@ -1,5 +1,3 @@
-from __future__ import absolute_import, division
-
 import numpy as np
 from numpy.testing import (assert_almost_equal,
                            assert_equal)