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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amber
Amber is a suite of biomolecular simulation programs together with Amber
tools. A manual download is required for Ambers. Spack will search your
current directory for the download files. Alternatively, add the files
to a mirror so that Spack can find them. For instructions on how to set
up a mirror, see https://spack.readthedocs.io/en/latest/mirrors.html
Note: Only certain versions of ambertools are compatible with amber.
Only the latter version of ambertools for each amber version is
supported.