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Published February 6, 2026 | Version 1.4.0rc11
Software Open

pyEQL: A python library for water chemistry

Authors/Creators

  • 1. Princeton University

Description

This is a pre-release version to test new PyPi publishing tooling

<!-- Release notes generated using configuration in .github/release.yml at main -->

What's Changed

๐Ÿ› Bug Fixes

  • Fix behavior of PHREEQC equilibrate when composition contains pure elements by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/282
  • Fix incorrect reduction of dimers/polymers in standardize_formula by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/309

๐Ÿ›  Enhancements

  • added a nested parameter to 2 methods in the Solution class by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/284
  • enable solid-liquid and gas-liquid equilibrium calculations in equilibrate() by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/292
  • Speciation calculations in new wrapper by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/306
  • Fix the postprocess workflow; refactor PHREEQC2026 wrapper by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/318
  • Watching for Phreeqc invocation errors by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/319

๐Ÿงน House-Keeping

  • Vb/noblack by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/285

๐Ÿฅ Package Health

  • CI run with pinned deps common to all py/platforms by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/314
  • Release Workflow for CI by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/320

๐Ÿคทโ€โ™‚๏ธ Other Changes

  • Add pqi_pqo_files to tests by @SuixiongTay in https://github.com/KingsburyLab/pyEQL/pull/289
  • 'PHREEQC' pytest by @SuixiongTay in https://github.com/KingsburyLab/pyEQL/pull/294
  • Phreeqc wrapper by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/291
  • Bump actions/checkout from 5 to 6 in the actions group by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/293
  • Bump urllib3 from 2.5.0 to 2.6.0 in /requirements by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/298
  • Bump urllib3 from 2.6.0 to 2.6.3 in /requirements by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/308
  • Bump pynacl from 1.5.0 to 1.6.2 in /requirements by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/307
  • Bump filelock from 3.16.0 to 3.20.1 in /requirements by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/305
  • Bump fonttools from 4.53.1 to 4.60.2 in /requirements by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/304
  • Bump virtualenv from 20.26.4 to 20.36.1 in /requirements by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/312
  • Bump filelock from 3.20.1 to 3.20.3 in /requirements by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/313
  • Diffusion Coefficient from Phreeqc by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/316
  • Bump the actions group with 3 updates by @dependabot[bot] in https://github.com/KingsburyLab/pyEQL/pull/321
  • Test new release workflow by @rkingsbury in https://github.com/KingsburyLab/pyEQL/pull/322
  • Test release workflow, take 2 by @rkingsbury in https://github.com/KingsburyLab/pyEQL/pull/323
  • bump the tag in changelog by @rkingsbury in https://github.com/KingsburyLab/pyEQL/pull/324
  • Release rc4 by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/325
  • Triggering release on published action by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/327
  • updating basic tools before twine upload by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/328
  • Patch for trusted publishing by @vineetbansal in https://github.com/KingsburyLab/pyEQL/pull/330

New Contributors

  • @vineetbansal made their first contribution in https://github.com/KingsburyLab/pyEQL/pull/284

Full Changelog: https://github.com/KingsburyLab/pyEQL/compare/v1.3.2...1.4.0rc11

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