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v5.0.1

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@github-actions github-actions released this 07 Apr 13:27
Immutable release. Only release title and notes can be modified.
0480e78

Fixed

  • Fixed invalid data type when gsd.hoomd wrote */group data chunks (#541).

v5.0.0

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@joaander joaander released this 06 Apr 15:17
Immutable release. Only release title and notes can be modified.
b9c448e

Added:

  • gsd.hoomd schema now supports float64 and float32 values. Choose the desired precision with the precision argument to open (#495).

Changed:

  • Frame.validate no longer modifies its contents in place by default. Pass inplace=True to recover the previous behavior (#495).
  • New files created by gsd 5.0 are schema version 2.0 and may not be readable by older software (#495).

Removed:

  • SIGTERM handler (#501).
  • Removed state/* data chunks from the hoomd schema (#532).

v4.2.0

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@github-actions github-actions released this 07 Oct 23:23
1898768

Fixed:

  • gsd.hoomd.read_log no longer iterates over the file more than necessary (#459).
  • Debug log entries are no longer duplicated (#459).

Added:

  • gsd.hoomd.read_log now accepts glob_pattern to restrict the returned data (#459).
  • debug attribute for gsd.fl.GSDFile, which toggles debug logging for performance-sensitive methods (#459).
  • Provide linux aarch64 binary wheels on PyPI.

v4.1.0

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@github-actions github-actions released this 30 Sep 23:05
cb02a10
  • Build with abi3 for Python >=3.11 (#459).
  • Remove support for Python <3.11 following NEP29 (#459).

v4.0.0

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@github-actions github-actions released this 26 Jun 12:28
dd01984

Fixed:

  • Type hints for HoomdTrajectory._read_frame and downstream methods are now correct (#417).
  • Sync changes to disk on macOS (#429).
  • Sync index entries to disk before returning from flush (#429).
  • Work around macOS bug that mysteriously allocated 16 MB of extra disk blocks beyond the end of the file (#429).

Changed:

  • No longer test with clang 10, 11, or 12 (#422).
  • [breaking] end_frame, find_chunk, find_matching_chunk_names, and read_chunk no longer implicitly call flush. The caller must manually call flush (or close the file) before chunks can be read. This behavior extends to the high level gsd.hoomd Python API (#429).
  • Set the default write buffer to 1 MB (#429).

Removed:

  • index_entries_to_buffer (#429).

v3.4.2

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@github-actions github-actions released this 13 Nov 13:42
9c68687

Fixed:

  • Make NumPy 2.0 requirement optional (#405).

v3.4.1

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@github-actions github-actions released this 21 Oct 12:28

Fixed:

  • Prevent downgrading file versions when opening in write mode.

v3.4.0

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@github-actions github-actions released this 18 Oct 18:48
b802923

Added:

  • GSD_TYPE_CHARACTER chunk type for string data - valid in file layer versions 2.1 and later (#391).

Changed:

  • The log dictionary in a hoomd frame now accepts string values. read_log correspondingly produces a NumPy array of variable length strings (#391).
  • Require NumPy >= 2.0 (#391).

v3.3.2

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@github-actions github-actions released this 06 Sep 13:41

Added:

  • Support Python 3.13 (#388).

Removed:

  • Support for Python 3.9 (#388).

v3.3.1

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@github-actions github-actions released this 19 Aug 13:02
abea01d

Changed:

  • Improved build instructions (#376).