TREX-CoE/trexio v2.6.0 on GitHub

What's Changed

Add codes supporting TREXIO by @q-posev in #171
Add nix build instructions and README section by @sheepforce in #173
Add Madelung correction by @scemama in #172
Fix text backend for determinants + check consistency of determinants by @scemama in #168
add Haskell bindings section to README by @sheepforce in #174
Debug flags by @scemama in #169
Fix long lines in Fortran by @scemama in #181
Simplified configure.ac in hdf5 by @scemama in #182
nix: removes superfluous haskell overoverlay by @sheepforce in #186
Nix Build and CI by @sheepforce in #187
cmake generation of trex.json by @loriab in #188
First attempt to run on Ubuntu arm64 GitHub runner by @q-posev in #189
Fix compilation issues of Fortran binding with -fdefault-integer-8 by @scemama in #192
Bug csf by @scemama in #191
Fixes #197 by @scemama in #198
Fixed #199 by @scemama in #201
Fix basis function documentation by @susilehtola in #206
Fix the Cartesian Gaussian definition by @susilehtola in #207
Developer -> Maintainer by @scemama in #196
fix 211 by @pjknowles in #212
Added aabb/abab conversion helper functions by @scemama in #195
Add dipole moment integrals to AO and MO integral sections by @Copilot in #217
Added feature request (pbc array size) #210 by @scemama in #214
Disable HDF5 error messages during backend auto-detection and file operations by @Copilot in #215
Fix Windows MinGW compilation failure by adding conditional includes and comprehensive cross-platform C support by @Copilot in #213

We added CI for building and releasing Python wheels for manylinux-aarch64 (ARM) platforms. Thus, TREXIO Python API can now be seamlessly pip install-ed on any combination of Linux/MacOS and x86_64/aarch64 for CPython 3.8-3.13 (except for the macos-aarch64 combo where only CPython 3.11-3.13 was available on the GitHub runner macos-14 at the time of writing).
Experimental support for Windows have been introduced in #213. If you notice any issues - do not hesitate to report them.

Full Changelog: v2.5.0...v2.6.0