mctc-lib¶
Common tool chain for working with molecular structure data in variousapplications. This library provides a unified way to perform operations onmolecular structure data, like reading and writing to common geometry fileformats.
https://grimme-lab.github.io/mctc-lib
Available modules¶
The overview below shows which mctc-lib installations are available per target architecture in EESSI, ordered based on software version (new to old).
To start using mctc-lib, load one of these modules using a module load command like:
(This data was automatically generated on Fri, 06 Feb 2026 at 13:12:13 UTC)
| aarch64/generic | aarch64/a64fx | aarch64/neoverse_n1 | aarch64/neoverse_v1 | aarch64/nvidia/grace | x86_64/generic | x86_64/amd/zen2 | x86_64/amd/zen3 | x86_64/amd/zen4 | x86_64/intel/cascadelake | x86_64/intel/haswell | x86_64/intel/icelake | x86_64/intel/sapphirerapids | x86_64/intel/skylake_avx512 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| mctc-lib/0.3.1-GCC-13.2.0 | x | x | x | x | x | x | x | x | x | x | x | x | x | x |
| mctc-lib/0.3.1-GCC-12.3.0 | x | x | x | x | x | x | x | x | x | x | x | x | x | x |