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Release 1.0.2 #131

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Oct 21, 2023
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15 changes: 15 additions & 0 deletions CHANGELOG
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,21 @@ The rules for this file:
* accompany each entry with github issue/PR number (Issue #xyz)

------------------------------------------------------------------------------
10/21/2023 IAlibay, orbeckst

* 1.0.2

Changes

* Python 3.12 is now supported


Fixes

* updated versioneer to be able to run under Python 3.12 (#124, PR #128)
* replaced deprecated pkg_resources in tests with importlib (#130)


05/24/2022 IAlibay

* 1.0.1
Expand Down
14 changes: 7 additions & 7 deletions gridData/tests/datafiles/__init__.py
Original file line number Diff line number Diff line change
@@ -1,17 +1,17 @@
from __future__ import absolute_import

from pkg_resources import resource_filename
import importlib.resources as importlib_resources

__all__ = ["DX", "CCP4", "gOpenMol"]

DX = resource_filename(__name__, 'test.dx')
DXGZ = resource_filename(__name__, 'test.dx.gz')
CCP4 = resource_filename(__name__, 'test.ccp4')
DX = importlib_resources.files(__name__) / 'test.dx'
DXGZ = importlib_resources.files(__name__) / 'test.dx.gz'
CCP4 = importlib_resources.files(__name__) / 'test.ccp4'
# from http://www.ebi.ac.uk/pdbe/coordinates/files/1jzv.ccp4
# (see issue #57)
CCP4_1JZV = resource_filename(__name__, '1jzv.ccp4')
CCP4_1JZV = importlib_resources.files(__name__) / '1jzv.ccp4'
# from https://github.com/ccpem/mrcfile/blob/master/tests/test_data/EMD-3001.map.bz2
MRC_EMD3001 = resource_filename(__name__, 'EMD-3001.map.bz2')
MRC_EMD3001 = importlib_resources.files(__name__) / 'EMD-3001.map.bz2'
# water density around M2 TM helices of nAChR from MD simulations
# [O. Beckstein and M. S. P. Sansom. Physical Biology 3(2):147-159, 2006]
gOpenMol = resource_filename(__name__, 'nAChR_M2_water.plt')
gOpenMol = importlib_resources.files(__name__) / 'nAChR_M2_water.plt'
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