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ChangeLog
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# -*- tab-width: 2; indent-tabs-mode: nil; coding: utf-8 -*-
==============================
Pyedr and Panedr CHANGELOG
==============================
The rules for this file:
* release numbering uses semantic versioning 2.0 https://semver.org/
* entries are sorted newest-first.
* summarize sets of changes - don't reproduce every git log comment here.
* don't ever delete anything.
* keep the format consistent (79 char width, M/D/Y date format) and do not
use tabs but use spaces for formatting
* accompany each entry with github issue/PR number (Issue #xyz)
* Note: rules were not applied before v0.6.0
------------------------------------------------------------------------------
??/??/???? IAlibay
* 0.9.0
Changes
12/23/2023 ezavod, IAlibay
* 0.8.0
Changes
* Added support for legacy file version 1 (PR #22)
* Extended test coverage and code cleanup (PR #22)
* Add support for Python 3.12 (PR #71 and #74)
09/04/2023 IAlibay
* 0.7.2
Changes
* The mda-xdrlib library is now used instead of the deprecated xdrlib
Python library (PR #67)
12/15/2022 BFedder, IAlibay
* 0.7.1
Changes
* Stopped using time.time() in verbose reporting and switched to using
tqdm for progress bars (PR # 55)
* Replaced some of the test data files with smaller counterparts to reduce
total file size (PR #55)
* Added Python 3.11 support (PR #59)
Fixes
* Adds pyedr/tests/data to manifest for packaging.
02/09/2022 BFedder, IAlibay
* 0.7.0
Changes
* Add a new `get_unit_dictionary` method which returns a dictionary
with the units of each energy term found in the EDR file (PR #56)
15/06/2022 jbarnoud, BFedder, orbeckst, hmacdope, IAlibay
* 0.6.0
Changes
* Add package deployment via github actions (PR #51 and #50)
* Re-reformat packages into pyedr and panedr (PR #50)
* Reformat panedr into two packages: panedr and panedrlite (PR #42)
* Add GitHub actions workflow for CI (PR #32)
* fixed setup.cfg for installing from source (PR #28)
Fixes
* Fix coverage issues and add coveragerc (PR #47)
13/01/2019 jbarnoud
* 0.5.2
Changes
* Fix typo in \_\_version\_\_
* Fix typo in \_\_version\_\_
11/01/2019 jbarnoud
* 0.5.1
Changes
* Ignore python3 bytecode in the repo
* Hopefully allow deploy on tags
11/01/2019 jbarnoud, ezavod
* 0.5.0
Changes
* Add correct handling of blocks and subblocks
* Fix pypi password for deployment
* Deploy on the real pypi
* Only deploy master
* Fix typo in trove classifiers
* User correctly encrypted password for deploy
* Skip file generation by pbr
* Allow deployment on the pbr branch
* Try automatic deploy
* Restore the extra test requirements
* Move versioning to pbr
* fix: Initiate an empty frame for each new frame
* fix: Add correct handling of blocks and subblocks
* Bump version to 0.4.0
* Tell travis to use ubuntu xenial
* Add python 3.7 to travis
* Fix compatibility issues with python 3.7
20/12/2018 jbarnoud
* 0.4.0
Changes
* Fix a typo in the install, bump to 0.3.1
20/09/2018 jbarnoud, mnmelo, kain88-de
* 0.3
Changes
* Bumb version number to 0.3
* Tell travis about the move of the tests
* Move the tests out of the package
* Travis install pathlib backport on python 2.7
* Accept \`pathlib.Path\` as an argument for edr\_to\_df
* Bump minimum python3 version to 3.5
* Remove pandas \`as\_matrix() deprecated method
* Update README to refect the use of pytest
* update python version in ci
* add manifest
* Test cleanup
* Try using py.test instead of pytest
* Moved to pytest testing
* Added double-precision support
* Remove the now unused Enxnms named tuple
* Move to a more object oriented architecture
* Fix a typo in the README
15/01/2016 jbarnoud
* 0.2
Changes
* Move to version 0.2
* Ignore gromacs backup files
* Do not write an incomplete frame
* Add test for the progress display in verbose mode
* Replace the test file for regular dt
* Add a verbose mode
13/01/2016 jbarnoud
* 0.1.1
Changes
* Move to v0.1.1 and add \_\_version\_\_
* Update README to account for inclusion in PyPi
* Make the wheels universal
13/01/2016 jbarnoud
* 0.1
Changes
* Prepare repo for inclusion in PyPi
* Python 3.2 is not supported
* Fix errors in .travis.yml
* Add TravisCI badge in the README
* Set up TravisCI
* Add tests
* Add a gitignore file
* Fix typo in docstring
* Adapt example to reflect unicode column names
* Revert license change of format in the README
* Update the README
* Fix unicode issues
* Panedr is now a proper package with setup.py
* Add a module docstring
* Remove the initial notebook
* Add the licence on top of the library
* Add a README and a license
* Translate prototype to a library
* Initial commit