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Name: python311-GridDataFormats | Distribution: openSUSE Tumbleweed |
Version: 1.0.2 | Vendor: openSUSE |
Release: 1.4 | Build date: Sat Dec 16 20:23:44 2023 |
Group: Unspecified | Build host: reproducible |
Size: 3229174 | Source RPM: python-GridDataFormats-1.0.2-1.4.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: https://github.com/MDAnalysis/GridDataFormats/ | |
Summary: Python Tools for Reading and writing of data on regular grids |
The *gridDataFormats* package provides classes to unify reading and writing n-dimensional datasets. One can read grid data from files, make them available as a :class:`Grid` object, and allows one to write out the data again.
GPL-3.0-only
* Sat Dec 16 2023 Dirk Müller <dmueller@suse.com> - update to 1.0.2: * Python 3.12 is now supported (PR #128) * Use new MDAnalysis docs theme (PR #127) * updated versioneer to be able to run under Python 3.12 * replaced deprecated pkg_resources in tests with importlib * Tue May 02 2023 pgajdos@suse.com - version update to 1.0.1 1.0.1 - ---- Changes * Deployment is now automatically done using github actions. Fixes * Version 1.0.0 would allow for installations to be made with python versions < 3.8, resulting in incorrect builds. The setup configuration has now been altered to avoid this (Issue #112) 1.0.0 - ---- Changes * API-stable release * deprecated and buggy CCP4 module was removed (#107, #50) * gridDataFormats now follows NEP29 (#102) * removed support for Python 2.7 and Python <3.8 (#102) 0.7.0 - ---- Changes * Python 3.10 is supported (issue #101) Enhancements * use mrcfile library to parse MRC files (including CCP4) using the new mrc.MRC class (issue #83) Fixes * The new mrc module correctly reorients the coordinate system based on mapc, mapr, maps and correctly calculates the origin (issue #76) * documented Grid attributes, including axis convention (issue #69) Deprecations * The CCP4 module (replaced by mrc) will be removed in 1.0.0 0.6.0 - ---- Changes * macOS and Windows are also tested (min and max supported Python, #97) Enhancements * Allow parsing/writing gzipped DX files (PR #70, #99) * Update doc theme to use sphinx-rtd-theme (#80) * Delta of OpenDX writes 7 significant figures (#88) Fixes * fix initialization of mutable instance variable of Grid class (metadata dict) (#71) * fix multiple __init__ calls (#73) * interpolation behavior outside of the grid changed to default to a constant rather than the nearest value (#84) * corrected resampling behavior to not draw on values outside of the grid (#84) * Tue Apr 20 2021 Steve Kowalik <steven.kowalik@suse.com> - Do not build for Python 3.6, due to no NumPy. * Tue Jul 23 2019 Todd R <toddrme2178@gmail.com> - Update to 0.5.0 + Changes * supported/tested on Python 2.7, >=3.5 (official 3.4 support was dropped: it might still work but is not tested anymore) + Enhancements * Allow parsing DX files by NAMD's GridForces module (new typequote keyword) * New keyword argument ``Grid(grid=<file>, file_format=<str>)`` to set file format when reading from a file + Fixes * Allow parsing DX files by Pymol's buggy floating-point parser * Fixed loading of pickle files with .pkl suffix * Better input handling when constructing a Grid object - Remove upstream-included no_float128.patch * Tue May 15 2018 toddrme2178@gmail.com - Add no_float128.patch Fixes tests See https://github.com/MDAnalysis/GridDataFormats/issues/44 From https://github.com/MDAnalysis/GridDataFormats/pull/45/commits/069422d54344034b8f31bb19eee8a097b582c0e1 Should be in next release * Fri May 11 2018 toddrme2178@gmail.com - Update to 0.4.0 * Type of DX arrays is now set based on the numpy array dtype or can be manually set by the user to increase interoperability with tools such as PyMOL (issue #35) * Mon May 15 2017 toddrme2178@gmail.com - Implement single-spec version. - Fix source URL. - Run unit tests. * Thu Nov 17 2016 alinm.elena@gmail.com - updated to version 0.3.3 * removed SUMMARY.txt * Wed Mar 12 2014 toddrme2178@gmail.com - Update to 2.4 * No upstream changelog * Thu Oct 24 2013 speilicke@suse.com - Require python-setuptools instead of distribute (upstreams merged)
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