v3.2.1

Fixed:

• Write all pending index entries to the file when gsd_flush() is called after gsd_write_chunk() and before gsd_end_frame() (#319).
• Readthedocs builds with pandas 2.2.0 (#322).
• Import without seg fault when built with CMake on macOS (#323).
• Internal cached data remains valid when users modify frames obtained by indexing trajectories (#324).

Changed:

• Provide support via GitHub discussions (#308).
• Use ruff (#317).
• Perform fewer implicit flushes when using the gsd.hoomd python API (#325).

v3.2.0

Added:

• Support Python 3.12 (#283).

v3.1.1

Fixed:

• Raise a FileExistsError when opening a file that already exists with mode = 'x'.

v3.1.0

Fixed:

• hoomd.read_log no longer triggers a numpy deprecation warning.

Added:

• HOOMDTrajectory.flush - flush buffered writes on an open HOOMDTrajectory.

v3.0.1

Fixed:

• Prevent ValueError: signal only works in main thread of the main interpreter when importing gsd in a non-main thread.

v3.0.0

Added:

• gsd.version.version - version string identifier. PEP8 compliant name replaces __version__.
• GSDFile.flush - flush write buffers (C API gsd_flush) (#237).
• GSDFile.maximum_write_buffer_size - get/set the write buffer size (C API gsd_get_maximum_write_buffer_size / gsd_set_maximum_write_buffer_size) (#237).
• GSDFile.index_entries_to_buffer - get/set the write buffer size (C API index_entries_to_buffer / index_entries_to_buffer) (#237).
• On importing [gsd]{.title-ref}, install a SIGTERM handler that calls sys.exit(1) (#237).

Changed:

• write_chunk buffers writes across frames to increase performance (#237).
• Use Doxygen and breathe to generate C API documentation in Sphinx (#237).

Removed:

• gsd.__version__ - use gsd.version.version.
• gsd.hoomd.Snapshot - use gsd.hoomd.Frame (#249).
• gsd.hoomd.HOOMDTrajectory.read_frame - use gsd.hoomd.HOOMDTrajectory.__getitem__ (#249).
• The file modes 'wb', 'wb+', 'rb', 'rb+', 'ab', 'xb', and 'xb+'. Use 'r', 'r+', 'w', 'x', or 'a' (#249).

v2.9.0

Added:

• File modes 'r', 'r+', 'w', 'x', and 'a' (#238).

Changed:

• Test on gcc9, clang10, and newer (#235).
• Test and provide binary wheels on Python 3.8 and newer (#235).

Deprecated:

• File modes 'wb', 'wb+', 'rb', 'rb+', 'ab', 'xb', and 'xb+' (#238).
• [C API] GSD_APPEND file open mode (#238).

v2.8.1

Fixed:

• Reduce memory usage in most use cases.
• Reduce likelihood of data corruption when writing GSD files.

v2.8.0

Added:

• gsd.hoomd.read_log - Read log quantities from a GSD file.
• gsd.hoomd.Frame class to replace gsd.hoomd.Snapshot.

Changed:

• Improved documentation.

Deprecated:

• gsd.hoomd.Snapshot.

v2.7.0

Added

• Support Python 3.11.