Westpa

Bug fixes for **WESTPA 2.0** (v2022.XX).

See release notes for `v2022.01` for the new features in WESTPA 2.0.

What's Changed
* Bug fixes to MAB's "skip" function, Data Manager
* `w_multi_west` will now combine files made before and after PR 235 / March 31st, 2022.
* `w_truncate` will now accept H5 files names directly from the command line (Defaults to what's in `west.cfg`)
* `npy_loader` will now accept pickled objects.
* Now compatible with Cython 3!
* Misc code cleanups and CI updates.

**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.04...v2022.05

sha256 checksum:

westpa-2022.05.zip
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westpa-2022.05.tar.gz
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Bug fixes for **WESTPA 2.0** (v2022.XX).

See release notes for `v2022.01` for the new features in WESTPA 2.0.

What's Changed
* More robust `w_multi_west` which allows for compatibility with `westpa.analysis` when files are combined with `--ibstates` flag
* Bug fixes for `w_multi_west`'s istate combining logic
* Updated versioneer to 0.28
* Support numpy 1.24+
* Misc code cleanups.

**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.03...v2022.04

sha256 checksum:

westpa-2022.04.zip
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westpa-2022.04.tar.gz
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Bug fixes for WESTPA 2.0 (v2022.XX).

See release notes for v2022.01 for the new features in WESTPA 2.0.

What's Changed
* Better Documentation
* Recycled segment counts are now reported correctly all the time
* New built-in data loaders can be specified for each dataset (`npy_data_loader` and `pickle_data_loader`)
* `w_fluxanl` is currently deprecated
* Misc code cleanups.

**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.02...v2022.03

sha256 checksum:

westpa-2022.03.zip
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westpa-2022.03.tar.gz
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Bug fixes for WESTPA 2.0 (v2022.XX).

See release notes for v2022.01 for the new features in WESTPA 2.0.

What's Changed
* MAB "skip" option now works
* Max/min weight thresholds code is rewritten
* Misc code cleanups.

**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.01...v2022.02

sha256 checksum:

westpa-2022.02.zip
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westpa-2022.02.tar.gz
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This is a stable release of WESTPA 2.0, called v2022.01. WESTPA v2022.01 is incompatible with previous versions (v2020.XX) and will not work with simulations generated using previous versions.

This build introduces major upgrades and restructuring to the previous WESTPA software package. In order to use this build concurrently with older WESTPA releases on the same computer, we suggest updating your current WESTPA v1.0 build (v2020.XX) to v2020.05 (or later). See the [wiki](https://github.com/westpa/westpa/wiki/Decoupling-WESTPA-1.0-and-2.0) for more information.

Key features of the new WESTPA 2.0 software include features critical to efficiency and ease of use:
- Installation as a standard Python package using pip or conda install
- A generalized resampler module for implementing both binned and “binless” WE strategies, including the minimal, adaptive binning (MAB) scheme
- Streamlined handling of large simulation datasets using the HDF5 framework
- More efficient rate-constant estimates using the RED scheme and history augmented Markov State Model (haMSM) restarting plugin
- Developer-friendly tools for creating new WE methods including automated CI tests
- Improved ease-of-use as with a Python API

For instructions and other options on how to install WESTPA v2022.01, see this [wiki page](https://github.com/westpa/westpa/wiki/Installing-WESTPA).

**Please note that if you used the HDF5 Framework with v2.0dev1, there were breaking changes since then. It is recommended that you keep a separate v2.0dev1 install to continue analyzing files generated with that version.

**sha256 checksum:**

**westpa-2022.01.zip**
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**westpa-2022.01.tar.gz**
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**WESTPA 1.0** Bug Fix.
Note this is a back-port of a fix for WESTPA 1.0.

New users should download `v2022.04` or later instead! This is for legacy users.

What's Changed
* Callback bug fix

**Full Changelog**: https://github.com/westpa/westpa/compare/v2020.06...v2020.07

**sha256 checksum:**

**westpa-2020.07.zip**
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**westpa-2020.07.tar.gz**
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