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    50 repositories

    • quantum-mobile

      Public
      A Virtual Machine for computational materials science
      virtualboxvirtual-machinequantum-mobilecomputational-materials-science
      Python
      •
      Other
      •35•94•34•7•Updated Feb 20, 2026Feb 20, 2026

    • ansible-role-slurm

      Public
      An Ansible role that installs the slurm workload manager on Ubuntu.
      Shell
      •
      Other
      •0•3•0•0•Updated Feb 19, 2026Feb 19, 2026

    • ansible-role-ubuntu-desktop

      Public
      An ansible role that installs & configures Ubuntu desktop on plain Ubuntu.
      Other
      •2•0•1•0•Updated Feb 19, 2026Feb 19, 2026

    • ansible-role-aiida

      Public
      An ansible role that installs and configures AiiDA on Ubuntu.
      Python
      •
      Other
      •5•2•8•0•Updated Jan 10, 2023Jan 10, 2023

    • ansible-role-python

      Public
      Ansible role for installing a specific base python version and environment
      Other
      •1•1•4•0•Updated Dec 19, 2022Dec 19, 2022

    • ansible-role-quantum-espresso

      Public
      Other
      •2•0•2•1•Updated Sep 21, 2022Sep 21, 2022

    • ansible-role-aiida-cws

      Public
      An Ansible role that installs and configures an environment for running the AiiDA common-workflows
      Python
      •
      Other
      •0•0•0•0•Updated Jul 25, 2022Jul 25, 2022

    • ansible-role-simulationbase

      Public
      An ansible role that prepares Ubuntu for running simulations.
      Other
      •1•0•1•0•Updated Jun 20, 2022Jun 20, 2022

    • ansible-role-aiidalab

      Public
      An ansible role that installs the Materials Cloud jupyter environment.
      Python
      •
      Other
      •1•0•1•1•Updated Sep 24, 2021Sep 24, 2021

    • ansible-role-quantum-mobile-customizations

      Public
      An ansible role that customizes Ubuntu for Quantum Mobile.
      Other
      •2•0•0•0•Updated Apr 16, 2021Apr 16, 2021

    • ansible-role-conda-codes

      Public
      A role to install computational codes from Conda
      Other
      •1•0•0•1•Updated Apr 15, 2021Apr 15, 2021

    • ansible-role-abinit

      Public
      A role for the abinit code
      HTML
      •
      Other
      •0•0•4•1•Updated Apr 13, 2021Apr 13, 2021

    • ansible-role-editors

      Public
      An Ansible role that installs a selection of text editors.
      Vim Script
      •
      Other
      •0•0•0•0•Updated Mar 25, 2021Mar 25, 2021

    • ansible-role-fleur

      Public
      An Ansible role that installs Fleur
      Other
      •1•0•4•0•Updated Mar 25, 2021Mar 25, 2021

    • ansible-role-wannier90

      Public
      An Ansible role for installing Wannier90
      NASL
      •
      Other
      •0•0•2•0•Updated Mar 25, 2021Mar 25, 2021

    • ansible-role-bigdft

      Public
      Other
      •1•0•2•1•Updated Mar 25, 2021Mar 25, 2021

    • ansible-role-siesta

      Public
      Ansible role for installing the siesta code
      Makefile
      •
      Other
      •3•0•1•0•Updated Mar 25, 2021Mar 25, 2021

    • ansible-role-nwchem

      Public
      An Ansible role that installs NWChem on Ubuntu.
      ansible-role
      Other
      •0•0•0•0•Updated Mar 25, 2021Mar 25, 2021

    • ansible-role-yambo

      Public
      An Ansible role that installs yambo.
      Other
      •0•0•0•0•Updated Mar 25, 2021Mar 25, 2021

    • ansible-role-cp2k

      Public
      Ansible role for installing cp2k
      Other
      •0•0•1•0•Updated Mar 24, 2021Mar 24, 2021

    • ansible-role-zeopp

      Public
      An ansible role that installs zeo++ on Ubuntu
      Other
      •0•0•0•0•Updated Mar 24, 2021Mar 24, 2021

    • ansible-role-raspa

      Public
      An ansible role that installs RASPA2 on Ubuntu.
      Other
      •0•0•0•0•Updated Mar 24, 2021Mar 24, 2021

    • qm-notebooks

      Public
      A repository for containing notebooks, tested against specific QM versions
      MIT License
      •0•0•0•0•Updated Dec 10, 2020Dec 10, 2020

    • cookiecutter-ansible-role

      Public
      Cookie cutter recipe to easily create new ansible roles.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •28•0•1•0•Updated Dec 5, 2020Dec 5, 2020

    • ansible-role-libxc

      Public
      An ansible role to install [libxc](https://gitlab.com/libxc/libxc)
      Other
      •0•0•0•0•Updated Nov 29, 2020Nov 29, 2020

    • docker-fedora32-ansible

      Public
      Fedora 32 container prepared for ansible deployement of AiiDA
      Dockerfile
      •
      MIT License
      •0•0•0•0•Updated Nov 26, 2020Nov 26, 2020

    • quantum-mobile-cloud-edition

      Public archive
      Quantum Mobile Cloud Edition images and ansible playbook.
      Other
      •1•0•0•0•Updated Oct 15, 2020Oct 15, 2020

    • docker-ubuntu2004-ansible

      Public
      Ubuntu 20.04 LTS container prepared for ansible deployement of AiiDA
      Dockerfile
      •
      MIT License
      •0•0•0•0•Updated Oct 7, 2020Oct 7, 2020

    • ansible-role-wannier-tools

      Public
      An Ansible role that installs https://github.com/quanshengwu/wannier_tools on Ubuntu.
      Other
      •0•0•0•0•Updated Mar 7, 2020Mar 7, 2020

    • ansible-role-chargemol

      Public
      An Ansible role that installs the chargemol program for computing DDEC atomic charges on Ubuntu.
      Other
      •0•0•0•0•Updated Feb 7, 2020Feb 7, 2020