Spack will be used to manage open source software packages on Fugaku.
Fugaku users can easily use pre-installed packages and built packages based on Spack recipes.
The following list shows the results of building/compiling packages for aarch64 according to the Spack recipes.
Note that the results in this list do not guarantee that each package will work properly.
On the other hand, Fujitsu will provide the following packages compiled with Fujitsu compiler on Fugaku as "external" packages, of which Spack can be aware.
|
kim-api
OpenKIM is an online framework for making molecular simulations
reliable, reproducible, and portable. Computer implementations of inter-
atomic models are archived in OpenKIM, verified for coding integrity,
and tested by computing their predictions for a variety of material
properties. Models conforming to the KIM application programming
interface (API) work seamlessly with major simulation codes that have
adopted the KIM API standard. This package provides the kim-api library
and supporting utilities. It also provides a small set of example
models. To obtain all models archived at https://openkim.org that are
compatible with the kim-api package, install and activate the openkim-
models package too.