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grackle 3.4.1 and gracklepy 1.2

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@mabruzzo mabruzzo released this 22 Aug 18:41
· 36 commits to main since this release
grackle-3.4.1
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We are pleased to announce the release of Grackle 3.4.1 and Gracklepy 1.2.

Grackle is a library that provides chemistry and radiative cooling solver for astrophysical simulations and models. Gracklepy provides python bindings to the Grackle library.

This release consists of 43 Pull Requests from 4 contributors (2 of them are first-time contributors).

Highlight: Releasing Gracklepy 1.2

The highlight of this announcement is the release of Gracklepy 1.2. Gracklepy was formerly known as Pygrackle, but the name has been changed in this release (to let us upload to PyPI).

As of this release, you can now install Gracklepy from PyPI by invoking

$ pip install gracklepy

On most typical platforms, this will install precompiled wheels. On more exotic platforms, this will try to build Gracklepy from source.

Please be aware that:

  1. You should manually uninstall Pygrackle from your python environment (if it's present) before you install Gracklepy
  2. Gracklepy and Grackle rely upon data files for most use-cases. At this time, you will still need to manually download the data files yourself (but there are some pending pull requests that will change this in a future release)

List of All Changes:

Bugfixes

  • Fix a significant oversight in GrackleConfig.cmake #330
  • H2 self shielding length scale factor fix #325
  • address a bug in calc_temp_cloudy_g.F #367

Enhancements

  • Standard Status Reporting Machinery #269
  • Remove pygrackle/api.py & pygrackle/utilities/api.py #352
  • Rename pygrackle -> gracklepy (so we can upload to PyPI) #371

Build-System

  • (core lib) introduce CMakePresets.json to enable compiler warnings in a CI job #334
  • (core lib) Relocated all CMake dependency information into dependencies.cmake #296
  • (core lib) assorted tweaks: #326 #329 #337
  • (gracklepy) tweak cython handling #319 #328
  • (gracklepy) Introduce dependency groups #347

Testing

  • Support running subset of gracklepy test without an editable install #335
  • Move test_chemistry_struct_synched between test suites #327
  • Fix a bug in test_get_grackle_version.py #390

Documentation

  • gracklepy test instruction tweaks #309
  • Assorted tweaks to appearance of doc website #285 #291 #346
  • Fix spacing issues in docs #340
  • Simplify GitHub hyperlinks for repository locations in docs #300
  • Add more detail to gracklepy build documentation #294
  • Added missing He #362
  • Added chemistry network table #361

Infrastructure

  • Optimize circleci workflows #338
  • Introduce an extremely simplistic .pre-commit-config.yaml file #348
  • Introduce GHA to upload Gracklepy wheels to PyPI #320 #355 #356 #389
  • Bump versions of GHA action groups #360 #363 #365 #372 #373
  • Move test-data retrieval logic into scripts/ci/fetch-test-data.py #307
  • Address flake8 warnings (in files that it previously ignored) #368 #369
  • Use builtin GitHub feature to nicely redirect to Code of Conduct #342
  • Convert README.md to README.rst (and deduplicate content on the website landing page) #350 #351

Contributors

Full Changelog: grackle-3.4.0...grackle-3.4.1

Contributors

brittonsmith, mabruzzo, and 2 other contributors
Assets 2
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