Westpa

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

See previous release notes for the new features in WESTPA 2.0.

What's Changed
* Support MDTraj v1.10.0
* Wheels for Python 3.12

**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.09...v2022.10

sha256 checksum:

westpa-2022.10.zip
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westpa-2022.10.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
* MacOS Wheels now available for both x86-64 (Intel) and arm64 (Apple Silicon) (402, 405)
* Data manager should now process deprecated numpy dtypes (like `int` vs `np.int`) (399)
* MAB Lite/ direction: 86: An MAB option to not put leading/trailing walkers into separate bins (403)
* A fallback mode where users can specify executable config under westpa.data.datasets (408)
* Custom binning can be passed to msm_we through haMSM restarting Plugin (382)
* west.cfg will now accept more formats for max_run_wallclock (413)
* w_pdist will now take care of negative max values (414)
* Debug Mode now works for w_ipa (401)
* Segfault that occasionally occur during process work manager shutdown is fixed (412)
* Errors fixed when multiple callbacks/multiple plugins are used simultaneously (410)
* NaturalNameWarning from HDF5 Framework is now suppressed (416)
* westpa.analysis summary tables will now display properly (418)
* ``w_states --replace`` will report properly (421 )
* Other backend/README updates.

**Full Changelog**: https://github.com/westpa/westpa/compare/v2022.08...v2022.09

sha256 checksum:

westpa-2022.09.zip
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westpa-2022.09.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
* 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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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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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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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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