MARVEL NCCR

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50 repositories

quantum-mobile
Public
A Virtual Machine for computational materials science
virtualbox virtual-machine quantum-mobile computational-materials-science
Python
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Other
•32•91•31•4•Updated Mar 19, 2024Mar 19, 2024
ansible-role-ubuntu-desktop
Public
An ansible role that installs & configures Ubuntu desktop on plain Ubuntu.
Other
•1•0•1•1•Updated Aug 28, 2023Aug 28, 2023
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
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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
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Other
•1•0•1•1•Updated Sep 24, 2021Sep 24, 2021
ansible-role-slurm
Public
An Ansible role that installs the slurm workload manager on Ubuntu.
Shell
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Other
•0•3•0•0•Updated Jun 13, 2021Jun 13, 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
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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
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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
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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
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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
•31•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
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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
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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