Task Force to port last SCS manual builds to EB

[gppezzi]

• To be worked on during the hackathon
• This is a raw list of modules that were manually installed and that are currently visible
  • some of them are already available with EB
  • we will update this list as we confirm that the EB modules can replace the old ones
• I made an initial task distribution (but this is just a proposal, not an obligation!)

Please write down a comment for updating/fixing this list.

Daint + Dora

Pending:

• ImageMagik @gppezzi
• atompaw @jgphpc
• cpmd @ajocksch
• ghostscript @gppezzi
• GROMACS GPU @lucamar
• namd @ChristopherBignamini
• ncl @vkarak
• netcdfsn @gppezzi
• QuantumESPRESSO @lucamar
• scorep @jgphpc (needs refactoring and test with 2016.03)

Low priority/ under request:

• plumed @lucamar (under request)
• lammps @lucamar (low priority)
• adios
• idl

Monte leone

• OpenFoam @ajocksch
• foam-extend @vkarak (to be defined if it should installed by the users)
• paraview @jfavre

Already available / not needed:

• amber @vkarak
• ABINIT
• Boost
• cdo @gppezzi
• CP2K
• GMP
• GROMACS (non cuda version)
• R
• cmake
• ddt (binary, can be used from /apps/common)
• ffmpeg (to be removed on the next upgrade)
• gsl
• iaca
• libint
• libxc
• magma
• ncview
• nco @gppezzi
• nwchem
• opengl
• paraview @jfavre
• perflite
• perflite-base
• perftools-base
• python
• qt @jgphpc
• scalasca
• slurm (hpc-ops)
• szip/2.1
• vampir (binary, can be used from /apps/common)
• vmd (binary only, installed by 3rd party)
• vtk @jfavre (not needed, provided by paraview)
• visit @jfavre (to be discussed)
• viz

[bcumming]

fmpeg was added by me for a user (Diego Rosinelli). I made it clear that this wasn't a supported CSCS software, and that we wouldn't be responsible for it (so remove if you want). If you want, I can provide the set of dependencies that were required to build it... it took me a morning to do.

[gppezzi]

@bcumming thanks for the feedback! We're not deleting existing software, this just means that we won't be reinstalling/maintaining it ourselves for the next upgrades (since it is an individual request).

[lucamar]

I have updated the list with some codes that I've managed to build with the latest Easybuild development release available in /apps/common/tools.