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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molgw
Package
molgw
Description
MOLGW is a quantum chemistry code that implements the many-body
perturbation theory (MBPT) to describe the excited electronic states in
finite systems (atoms, molecules, clusters). MOLGW implements the GW
approximation for the self-energy (ionization and affinity) and the
Bethe-Salpeter equation for the optical excitations. MOLGW also applies
the real-time time-dependent density-functional theory (RT-TDDFT). MOLGW
employs standard Gaussian basis set.
Note
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