v19.07.0

Quantum Mobile 19.07 is the last version of Quantum Mobile with AiiDA v0.12.x. We will continue to provide fixes for bugs in Quantum Mobile 19.07 (or updates for the AiiDA 0.12.x series) over the next months.

For the first time, this release installs simulation codes system-wide in /usr/local/bin, making it easier to share a Quantum Mobile server with multiple users.
Furthermore, all ansible roles are now installed from fixed git tags, which should make the build of this version of Quantum Mobile highly reproducible.

Installation instructions

Get Quantum Mobile running on your computer in three simple steps:

1. Download virtual machine image (3.9G)
   http://bit.ly/2KwdMrF
   MD5 hash: 7ee49fd9d94cacd76167cbcd7e0b20ea
2. Install Virtual Box 6.0.0 or later
   www.virtualbox.org
3. Import virtual machine image into Virtualbox (12G)
   File => Import Appliance

Note: username: max, password: moritz

Changelog

Improvements

• now installing fixed versions of ansible roles for improved reproducibility
  and tracking of changes between Quantum Mobile releases
• now installing codes system-wide for better reuse in servers
  • following ansible conventions

Software updates

• aiidalab v19.05.3

Build process

• ansible 2.7.10
• Vagrant v2.2.5
  • vbguest v0.19.0
  • bento/ubuntu-18.04 v201906.18.0
• Virtualbox v6.0.10

Version Summary

This VM comes with:

• OS: Ubuntu 18.04.2 LTS, VirtualBox 6.0.10
• tools: slurm, openmpi, grace, gnuplot, xcrysden, jmol
• simulation codes:
  • Quantum ESPRESSO v6.4.1
  • Yambo v4.3.2
  • fleur v0.27 MaXR3
  • siesta v4.0.1
  • cp2k v6.1
  • wannier90 v3.0
• aiida v0.12.4
  • aiida-cp2k v0.9.0
  • aiida-fleur v0.6.2
  • aiida-quantumespresso v2.1.0
  • aiida-siesta v0.9.10
  • aiida-yambo v0.2.5
  • aiida-wannier90 v1.0.0
• pseudopotentials
  • SSSP (PBE) accuracy v1.0
  • SSSP (PBE) precision v1.0
  • SG15 ONCV v1.1