List of Open Source Software which can be built on Fugaku
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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.
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py-robocrys
Package
py-robocrys
Description
Robocrystallographer is a tool to generate text descriptions of crystal
structures. Similar to how a real-life crystallographer would analyse a
structure, robocrystallographer looks at the symmetry, local
environment, and extended connectivity when generating a description.
The package includes utilities for identifying molecule names, component
orientations, heterostructure information, and more.
Note
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