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Releases: marvel-nccr/quantum-mobile

v23.04.03

30 Aug 10:20
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v21.05.1

30 Apr 12:59
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v16.04.21a

v20.11.2a

10 Dec 08:05
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v20.11.0a

01 Dec 12:59
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v20.06.1

07 Jul 07:18
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v20.06.1a1

03 Jul 23:20
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v20.06.1a1 Pre-release
Pre-release

First alpha (pre-release) version of Quantum Mobile Desktop Edition v20.06.1.

Installation instructions

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

  1. Download virtual machine image (3.4G)
    https://bit.ly/2AyVcy1
    Filename: quantum_mobile_20.06.1a1.ova
    MD5 hash: 0a771eaf2899e31259c8ef5f6a64d0fb
  2. Install Virtual Box 6.1.4 or later
    www.virtualbox.org
  3. Import virtual machine image into Virtualbox (9.5G)
    File => Import Appliance

Note: username: max, password: moritz

Known issues

  • The "AiiDA Lab" link on the Desktop does not work.
  • BigDFT is not installed.

v20.03.1

19 Mar 16:50
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v20.03.0

16 Mar 10:41
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Quantum Mobile Desktop Edition 20.03.0 ships with AiiDA 1.1.1 and numerous updates and bug fixes to both the VM setup and AiiDA plugins. For the first time, Quantum Mobile includes BigDFT, aiida-bigdft and WannierTools.

Installation instructions

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

  1. Download virtual machine image (3.8G)
    http://bit.ly/38ToimH
    Filename: quantum_mobile_20.03.0.ova
    MD5 hash: 697a1f28c899a1b4d37a44989f4ac1d9
  2. Install Virtual Box 6.1.4 or later
    www.virtualbox.org
  3. Import virtual machine image into Virtualbox (12G)
    File => Import Appliance

Note: username: max, password: moritz

Contact

For issues encountered during installation, please first consult the FAQ page.

Please direct inquiries regarding Quantum Mobile to the AiiDA mailinglist

Changelog

Improvements

  • add WannierTools
  • add bigdft 1.9.0
  • add aiida-bigdft v0.1.0a0

Build process

  • ansible 2.9.5
  • Vagrant v2.2.7
    • vbguest v0.23.0
    • bento/ubuntu-18.04 v202002.04.0
  • Virtualbox v6.1.4

Software updates

  • yambo 4.5.1
  • siesta 4.1-rc1
  • cp2k 7.1
  • wannier90 3.1
  • aiida v1.1.0
    • aiida-yambo 1.0
    • aiidalab v20.2.0b2
    • aiida-wannier90 v2.0.0

Version Summary

This VM comes with:

  • OS: Ubuntu 18.04.4 LTS, VirtualBox 6.1.4
  • tools: atomistic (xcrysden, jmol, cif2cell, ase, pymatgen, seekpath, spglib, pycifrw), visualization (grace, gnuplot, matplotlib, bokeh, jupyter), simulation environment (slurm, OpenMPI, FFT/BLAS/LAPACK, gcc, gfortran, singularity)
  • simulation codes:
    • Quantum ESPRESSO v6.5
    • yambo v4.5.1
    • fleur v0.30 MaXR4
    • siesta v4.1-rc1
    • cp2k v7.1
    • wannier90 v3.1
    • bigdft 1.9.0
  • aiida v1.1.1
    • aiida-cp2k v1.0.0b6
    • aiida-quantumespresso v3.0.0a6
    • aiida-siesta v1.0.0
    • aiida-fleur v1.0.0a0
    • aiida-bigdft v0.1.0a0
    • aiida-yambo v1.0.0
    • aiida-wannier v2.0.0
  • pseudopotentials
    • SSSP (PBE) accuracy v1.1
    • SSSP (PBE) precision v1.1
    • SG15 ONCV v1.1

v19.12.0 Release Candidate 1

16 Dec 11:30
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Pre-release

Quantum Mobile 19.12.0RC1 is the first Quantum Mobile to ship with an official release of AiiDA 1.0.
This release candidate already contains updates for a number of MaX codes - further updates (siesta, bigdft) are planned for the upcoming stable release.

Installation instructions

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

  1. Download virtual machine image (3.5G)
    http://bit.ly/2Ej5bWm
    Filename: quantum_mobile_19.12.0RC1.ova
    MD5 hash: 65fec9c892e51582da3c6406f895b448
  2. Install Virtual Box 6.0.0 or later
    www.virtualbox.org
  3. Import virtual machine image into Virtualbox (11G)
    File => Import Appliance

Note: username: max, password: moritz
In case of issues, see the FAQ.

Contact

Please direct inquiries regarding Quantum Mobile to the AiiDA mailinglist

Changelog

Improvements

  • first Quantum Mobile release with AiiDA 1.0
  • add cif2cell utility

Software updates

  • aiida-core v1.0.1
    • aiida-cp2k v1.0.0b4
    • aiida-quantumespresso v3.0.0a5
    • aiida-siesta v1.0.0
    • aiida-fleur v1.0.0a0
    • aiida-bigdft v0.1.0a0
  • aiidalab v19.11.0a2
  • yambo 4.4
  • QE 6.5 with EPW and Wannier90
  • fleur 0.30 MaxR4

Version Summary

This VM comes with:

  • OS: Ubuntu 18.04.3 LTS, VirtualBox 6.0.14
  • tools: slurm, openmpi, grace, gnuplot, xcrysden, jmol, cif2cell
  • simulation codes:
    • Quantum ESPRESSO v6.5
    • yambo v4.4
    • fleur v0.30 MaXR4
    • siesta v4.0.1
    • cp2k v6.1
    • wannier90 v3.0
  • aiida v1.0.1
    • aiida-cp2k v1.0.0b4
    • aiida-quantumespresso v3.0.0a5
    • aiida-siesta v1.0.0
    • aiida-fleur v1.0.0a0
    • aiida-bigdft v0.1.0a0
  • pseudopotentials
    • SSSP (PBE) accuracy v1.1
    • SSSP (PBE) precision v1.1
    • SG15 ONCV v1.1