Westpa

Latest version: v2022.8

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2022.08

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
* w_succ will now respect the `-W` argument
* Hot fix for unintended error during initialization (`w_init`)
* Fix where the wrong loader is chosen for HDF5 Framework if you have another aux dataset


**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.07...v2022.08

sha256 checksum:

westpa-2022.08.zip
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westpa-2022.08.tar.gz
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2022.07

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
* WESTPA will require `numpy < 2`. We plan to allow numpy>=2 in `v2022.08` once the we've reasonably vetted.
* Bug fixes and QOL improvements for `w_multi_west`
* Bug fixes for `w_states` (edge cases where the order the bins are added affects the bin label output)
* Bug fixe for nested YAMLConfigs
* QOL Improvements for tstate files (allow empty lines and comments)
* Better Error Messages (segment numbers included in pcoord length error, errors marked as HDF5 Framework related)
* Better GitHub Forms
* More Tests for ibstates


**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.06...v2022.07

sha256 checksum:

westpa-2022.07.zip
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westpa-2022.07.tar.gz
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2022.06

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
* Tighter dependencies to fix bugs introduced in Cython 3
* Dropped wheel support for Python 3.7 (EOL: 2023-06-27)
* Fixed bug where MAB/Binless Managers would not wait for istates futures
* 'bin_log' option to output MAB bin boundaries. [Documentation](https://github.com/westpa/westpa/wiki/Binning#user-content-How_to_Print_MAB_Bins_into_binboundslog_File)
* Documentation Update
* HDF5 Framework bug fixes
* Misc code cleanups and CI updates.

**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.05...v2022.06

sha256 checksum:

westpa-2022.06.zip
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westpa-2022.06.tar.gz
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2022.05

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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2022.04

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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2022.03

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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