iodata¶
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
homepage: https://github.com/theochem/iodata
Available installations¶
| iodata version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 1.0.0a8 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4, zen5Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2025.06 | iodata/1.0.0a8-foss-2025a |