Gsd

Latest version: v3.2.1

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3.2.1

*Fixed:*

- Write all pending index entries to the file when `gsd_flush()` is called after `gsd_write_chunk()` and before `gsd_end_frame()` ([\319](https://github.com/glotzerlab/gsd/pull/319)).
- Readthedocs builds with pandas 2.2.0 ([\322](https://github.com/glotzerlab/gsd/pull/322)).
- Import without seg fault when built with CMake on macOS ([\323](https://github.com/glotzerlab/gsd/pull/323)).
- Internal cached data remains valid when users modify frames obtained by indexing trajectories ([\324](https://github.com/glotzerlab/gsd/pull/324)).

*Changed:*

- Provide support via GitHub discussions ([\308](https://github.com/glotzerlab/gsd/issues/308)).
- Use ruff ([\317](https://github.com/glotzerlab/gsd/pull/317)).
- Perform fewer implicit flushes when using the `gsd.hoomd` python API ([\325](https://github.com/glotzerlab/gsd/pull/325)).

3.2.0

*Added:*

- Support Python 3.12 ([\283](https://github.com/glotzerlab/gsd/issues/283)).

3.1.1

*Fixed:*

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

3.1.0

*Fixed:*

- `hoomd.read_log` no longer triggers a numpy deprecation warning.

*Added:*

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

3.0.1

*Fixed:*

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

3.0.0

*Added:*

- `gsd.version.version` - version string identifier. PEP8 compliant name replaces `__version__`.
- `GSDFile.flush` - flush write buffers (C API `gsd_flush`) ([\237](https://github.com/glotzerlab/gsd/pull/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](https://github.com/glotzerlab/gsd/pull/237)).
- `GSDFile.index_entries_to_buffer` - get/set the write buffer size (C API `index_entries_to_buffer` / `index_entries_to_buffer`) ([\237](https://github.com/glotzerlab/gsd/pull/237)).
- On importing [gsd]{.title-ref}, install a `SIGTERM` handler that calls `sys.exit(1)` ([\237](https://github.com/glotzerlab/gsd/pull/237)).

*Changed:*

- `write_chunk` buffers writes across frames to increase performance ([\237](https://github.com/glotzerlab/gsd/pull/237)).
- Use *Doxygen* and *breathe* to generate C API documentation in Sphinx ([\237](https://github.com/glotzerlab/gsd/pull/237)).

*Removed:*

- `gsd.__version__` - use `gsd.version.version`.
- `gsd.hoomd.Snapshot` - use `gsd.hoomd.Frame` ([\249](https://github.com/glotzerlab/gsd/pull/249)).
- `gsd.hoomd.HOOMDTrajectory.read_frame` - use `gsd.hoomd.HOOMDTrajectory.__getitem__` ([\249](https://github.com/glotzerlab/gsd/pull/249)).
- The file modes `'wb'`, `'wb+'`, `'rb'`, `'rb+'`, `'ab'`, `'xb'`, and `'xb+'`. Use `'r'`, `'r+'`, `'w'`, `'x'`, or `'a'` ([\249](https://github.com/glotzerlab/gsd/pull/249)).

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