github.com/westpa/westpa issues | Ecosyste.ms: OpenCollective

Allow WESS and WEED to detect when a simulation has been truncated

gma57 opened this pull request 3 days ago

TRACKING: Python 3.13 Support

jeremyleung521 opened this issue 4 days ago

Enable testing for Python 3.13

jeremyleung521 opened this pull request 4 days ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 11 days ago

Bump pypa/cibuildwheel from 2.20.0 to 2.21.1

dependabot[bot] opened this pull request 17 days ago

Allow reruns on fluxanl test

jeremyleung521 opened this pull request about 1 month ago

Clean up new MAB tests

jeremyleung521 opened this pull request about 1 month ago

Drop mambaforge from CI

jeremyleung521 opened this pull request about 1 month ago

remove w_fluxanl deprecation warning

jeremyleung521 opened this pull request about 1 month ago

Numpy2 support

jeremyleung521 opened this pull request about 1 month ago

Bump pypa/cibuildwheel from 2.19.2 to 2.20.0

dependabot[bot] opened this pull request about 2 months ago

Voronoi Binning Improvement

jeremyleung521 opened this pull request about 2 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 2 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 2 months ago

Bump pypa/cibuildwheel from 2.19.1 to 2.19.2

dependabot[bot] opened this pull request 3 months ago

Fixing the MAB skip function in 2+ dimensions.

HScheiber opened this pull request 3 months ago

Fix MAB 86 Reporting

jeremyleung521 opened this pull request 3 months ago

Matplotlib 3.9 compatibility fix

gma57 opened this pull request 4 months ago

RTD pages Update

jeremyleung521 opened this pull request 4 months ago

Bump pypa/cibuildwheel from 2.18.1 to 2.19.1

dependabot[bot] opened this pull request 4 months ago

Test modernization

jeremyleung521 opened this pull request 4 months ago

fix case when west/executable/datasets is defined as None

jeremyleung521 opened this pull request 4 months ago

w_truncate accepts truncate iterations > current_iteration

jeremyleung521 opened this pull request 4 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 4 months ago

Bump pypa/cibuildwheel from 2.17.0 to 2.18.1

dependabot[bot] opened this pull request 5 months ago

build python 3.12 wheels

jeremyleung521 opened this pull request 5 months ago

remove mdtraj.utils.six dependency in h5io

jeremyleung521 opened this pull request 5 months ago

Update ODLD Test Bin Definition

jeremyleung521 opened this pull request 5 months ago

Small w_states reporting bug

jeremyleung521 opened this pull request 5 months ago

README update

jeremyleung521 opened this pull request 5 months ago

Allow w_init to save bin_mapper stuff to iteration 1

jeremyleung521 opened this pull request 5 months ago

Fix summary tables in westpa.analysis

jeremyleung521 opened this pull request 5 months ago

String field issue in `basis_state_summaries` and `target_state_summaries`

jpthompson17 opened this issue 5 months ago

Suppress NaturalNameWarning when using HDF5 Framework

jeremyleung521 opened this pull request 5 months ago

WESTPA 3 Feature: W_Pdist Behavioral Change

jeremyleung521 opened this pull request 5 months ago

Allow bins to be autodetected with negative max values.

jeremyleung521 opened this pull request 5 months ago

Verify max_run_wallclock value

jeremyleung521 opened this pull request 5 months ago

Fix Processes Work Manager Shutdown SegFault

jeremyleung521 opened this pull request 5 months ago

WESTPA 1.0 Bug Fix: Duplicate Priority/Function Name Callback Crash Fix

jeremyleung521 opened this pull request 6 months ago

Duplicate Priority/Function Name Callback Crash Fix

jeremyleung521 opened this pull request 6 months ago

Callback error when different registered callbacks have the same priority and name

synapticarbors opened this issue 6 months ago

allow users to specify executable config in west.data.datasets

jeremyleung521 opened this pull request 6 months ago

Swapping CI env to install mdtraj with conda

jeremyleung521 opened this pull request 6 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 6 months ago

Add support for testing and wheel-building on macos-arm64 (Apple Silicon)

jeremyleung521 opened this pull request 6 months ago

WESTPA3 feature: ibstates auxdata + ability to call "parent" segment with auxdata

jeremyleung521 opened this pull request 6 months ago

Mab lite with direction 86

darianyang opened this pull request 6 months ago

force x86-64 macos GitHub Action Runners

jeremyleung521 opened this pull request 6 months ago

Debug Mode Fix for w_ipa

jeremyleung521 opened this pull request 6 months ago

make bin_log user-customizable

jeremyleung521 opened this pull request 6 months ago

West.cfg numpy dtype bug fix

jeremyleung521 opened this pull request 6 months ago

hotfix for propagator

jeremyleung521 opened this pull request 6 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 6 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 6 months ago

W_succ ignores -W argument

jeremyleung521 opened this pull request 6 months ago

Include short description for package on PyPI page

jeremyleung521 opened this pull request 7 months ago

DO NOT MERGE: CI testing

jeremyleung521 opened this pull request 7 months ago

Bump pypa/cibuildwheel from 2.16.5 to 2.17.0

dependabot[bot] opened this pull request 7 months ago

Improved GitHub Forms (Issues/PRs)

jeremyleung521 opened this pull request 7 months ago

specify errors to be HDF5 Framework related

jeremyleung521 opened this pull request 7 months ago

auto update sphinx version

jeremyleung521 opened this pull request 7 months ago

w_multi_west ibstates fix

jeremyleung521 opened this pull request 7 months ago

Pinning to Numpy < 2

jeremyleung521 opened this pull request 7 months ago

allow tstate files to contain empty line(s) and comments

jeremyleung521 opened this pull request 7 months ago

Fix to make sure recursive bin labels match up with bins index

jeremyleung521 opened this pull request 7 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 7 months ago

Allow custom binning through haMSM restarting plugin

jeremyleung521 opened this pull request 7 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 8 months ago

fix nested-yaml bug

jeremyleung521 opened this pull request 9 months ago

Bump codecov/codecov-action from 3 to 4

dependabot[bot] opened this pull request 9 months ago

Bump pypa/cibuildwheel from 2.16.2 to 2.16.5

dependabot[bot] opened this pull request 9 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 9 months ago

Fixed a bug in YAMLConfig when creating nested new entries

SHZ66 opened this pull request 9 months ago

Dropping `oldest-supported-numpy` for python>=3.9

jeremyleung521 opened this pull request 9 months ago

NumPy2 support fix

alexmgoldberg opened this pull request 9 months ago

Traj reading goes silently rogue for big systems

Poruthoor opened this issue 9 months ago

TRACKING: Numpy 2.0 support

jeremyleung521 opened this issue 9 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 9 months ago

Bump actions/upload-artifact from 3 to 4

dependabot[bot] opened this pull request 10 months ago

Bump actions/setup-python from 4 to 5

dependabot[bot] opened this pull request 10 months ago

Bump actions/download-artifact from 3 to 4

dependabot[bot] opened this pull request 10 months ago

Bump github/codeql-action from 2 to 3

dependabot[bot] opened this pull request 10 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 10 months ago

Squashing w_multi_west bugs

jeremyleung521 opened this pull request 10 months ago

Bump conda-incubator/setup-miniconda from 2 to 3

dependabot[bot] opened this pull request 11 months ago

Running pytests in parallel

jeremyleung521 opened this pull request 11 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 11 months ago

Documentation typo fixes

jeremyleung521 opened this pull request 11 months ago

Unpin pytables version requirement for python=3.8

jeremyleung521 opened this pull request 12 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 12 months ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request 12 months ago

MAB bin boundary output to text file

jeremyleung521 opened this pull request about 1 year ago

add pytest-timeout as an optional dependency

jeremyleung521 opened this pull request about 1 year ago

Python 3.12 Testing

jeremyleung521 opened this pull request about 1 year ago

[pre-commit.ci] pre-commit autoupdate

pre-commit-ci[bot] opened this pull request about 1 year ago

Pushing Develop changes to westpa2

jeremyleung521 opened this pull request about 1 year ago

Pinning Pytables to < 3.9 for python <3.9

jeremyleung521 opened this pull request about 1 year ago

PyTables Dropping Python 3.8 Support.

jeremyleung521 opened this issue about 1 year ago

Pinning Cython <3.0.3 for Python <3.10

jeremyleung521 opened this pull request about 1 year ago

Cythonization Fails in Python <=3.9

jeremyleung521 opened this issue about 1 year ago