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CHANGELOG.md

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Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

Unreleased

Changes

  • Update packaging to be PEP518 compliant.

[0.9.0] - 2023-10-30

Changes

  • Update package to only support NEP29 range (Python 3.9 - 3.12 as of writing)

Changes (internal)

  • automated deployment (#57)

[0.8.1] - 2021-10-04

Added

  • docs for how to contribute a new dataset (#46)
  • new MDAnalysis.__authors__ attribute with the list of AUTHORS

Changes

  • update online docs theme (#43)
  • tested for Python 2.7, 3.6 - 3.9 on Linux, macOS, Windows (#48)

[0.8.0] - 2019-08-13

Added

  • YiiP equilibrium dataset used for benchmarks in the PMDA paper: fetch_yiip_equilibrium_short to get a 9-ns YiiP trajectory and fetch_yiip_equilibrium_long to get a 90-ns YiiP trajectory (#39)

[0.7.0] - 2019-04-26

Added

  • fetch_membrane_peptide() to get a membrane peptide dataset (#34)

Fixes

  • doc fixes (PEG 1 chain dataset)

Fixes (internal)

  • CI: pip upgrade all dependencies (#36)

[0.6.0] - 2018-11-11

Added

  • PEG_1chain dataset

[0.5.0] - 2018-11-06

Fixes

  • vesicles dataset: failed to get description

Added

  • progressbar for downloads (#29)

Changes (internal)

  • tests with full downloads can be performed with pytest -m online; by default pytest -m 'not online' is run, which skips downloading gigabytes of data (PR #18)

[0.4.0] - 2018-10-05

Added

  • new fetch_CG_fiber() to get CG_fiber dataset (PR #24)

Fixes

  • fixed fetch_adk_transitions_DIMS() failed to fetch (#19)
  • added six to install requirements (#22)
  • added setuptools to install requirements (#23)

[0.3.0] - 2018-10-11

Fixes

  • fixed description of 'AdK equilibrium' dataset
  • fixed loading descriptions from zipped eggs (#12)

Added

Changes

  • Default location of the data_home is now stored as base.DEFAULT_DATADIR.

[0.2.2] - 2018-10-05

Fixes

  • all dataset descriptions now contain number of trajectories information

Changes

  • changed the labels in the vesicles dataset to match documentation

[0.2.1] - 2018-10-05

Added

[0.2.0] - 2018-10-04

Changed

  • streamlined the typical fetch_NAME() function by using module level variables
  • added size information (unpacked data in MB) to the canonical descriptions

Added

[0.1.1] - 2018-10-02

Fixed

  • documentation in README fixed

[0.1.0] - 2018-10-02

initial public release

Added