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.
|
turbomole
TURBOMOLE: Program Package for ab initio Electronic Structure
Calculations. Note: Turbomole requires purchase of a license to
download. Go to the Turbomole home page, http://www.turbomole-gmbh.com,
for details. Spack will search the current directory for this file. It
is probably best to add this file to a Spack mirror so that it can be
found from anywhere. For information on setting up a Spack mirror see
https://spack.readthedocs.io/en/latest/mirrors.html