1.11.2 (October 5, 2026)
- Fix PyPI upload GitHub Action Process by @jeremyleung521 in #2124
- Cache some tests with
pytest-recordingby @jeremyleung521 in #2127 - Move most project config from setup.py to pyproject.toml by @jeremyleung521 in #2130
- Fix
max_face_to_face_centroid_distancevalue by @bagheeera in #2131 - Fix
Topology.copybond remapping andPDBxFilepathlibsupport by @YuuuXie in #2135 - Implement RMSF for residues by @CharlieLaughton in #2133
- Support Pandas 3 by @janash in #2134
- Drop Python 3.11 testing and support by @jeremyleung521 in #2139
- Ensure
topology.joinretains chain ID information by @CharlieLaughton in #2141 - Fix for libnetcdf4 >= 4.10.0 by @jeremyleung521 in #2143
- Throw error in
superposeif overflow/underflow error by @jeremyleung521 in #2147 - Take care when PDB files mix unit cell information by @jeremyleung521 in #2137
- Optimize call to
box_vector_length_angleincompute_distances_coreby @rjdirisio in #2153 - Guard against empty atom indices producing NaNs in
superposeby @badisa in #2159 - Add
bridge_anchorsoption toimage_moleculesby @jgullingsrud in #2172 - Numpy 2.5 compatibility fix with eigen-calcs by @jeremyleung521 in #2189
A total of 7 people contributed to this release.
People with a "+" by their names contributed to MDTraj for the first time.
- Jeremy Leung
- Jessica A. Nash
- Charlie Laughton
- bagheeera +
- Yu Xie +
- badisa +
- Justin Gullingsrud