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.
  • OpenJDK 11
  • Ruby 2.6.5 or later
  • Python2 2.7.15
  • Python3 3.6.8
  • Numpy 1.14.3
  • SciPy 1.0.0
  • Eclipse IDE 2019-09 R Packages
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scine-sparrow

Package

scine-sparrow

Description

Sparrow: fast semiempirical quantum chemical calculations. When
publishing results obtained with Sparrow, please cite the corresponding
release as archived on Zenodo (DOI 10.5281/zenodo.3244105; please use
the DOI of the respective release). In addition, we kindly request you
to cite the following article when using Sparrow: T. Husch, A. C.
Vaucher, M. Reiher, "Semiempirical molecular orbital models based on the
neglect of diatomic differential overlap approximation", Int. J. Quantum
Chem., 2018, 118, e25799.

Note

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