- aiida-core v0.12.0
- aiida-quantumespresso v2.0.1
- Add /scratch directory
- Using shared folders no longer requires sudo
- Separate roles into independent repositories
- Roles are installed via ansible-galaxy
- Continuous integration tests for individual roles
- aiida-core v0.11.4
- aiida-quantumespresso v2.0.0
- aiida-cp2k v0.9.0
- aiida-yambo v0.2.5
- Switch to Chromium browser as Firefox struggles with WebGL
- Add cp2k data directory
- AiiDA Daemon is now a system service - no need to start it or shut it down
- Import SSSP from AiiDA export files hosted on the Materials Cloud Archive
-
Add variables that can be used to turn on/off features for increased flexibility (e.g. to install Quantum Mobile as a server):
- 'headless': if true, avoids GUI-related setup
- 'release_notes': if false, does not add release notes
-
Running the ansible roles on a different host is now as easy as
ansible-playbook playbook.yml -i inventory_file -
Adjustments for ansible 2.5
- Add Wannier90 v2.1 + aiida-wannier90 v1.0.0
- VM image built using Virtualbox 5.2.8
- aiida-core v0.11.0
- aiida-siesta v0.11.5
- Add jupyter apps (just like on jupyter.materialslcoud.org)
- aiida-yambo v0.2.4
- aiida-siesta v0.9.8
- QE 6.2.1
- SSSP (PBE) accuracy 1.0
- SSSP (PBE) efficiency 1.0
- VM image built using Virtualbox 5.2.6 + Guest Additions 5.2.7
- Add Quantum Mobile Logo
- Add AiiDA Demos
- yambo 4.2.1
- fleur 0.27 MaXR2.1
- aiida 0.10.1
- aiida-cp2k 0.7
- VM image built using Virtualbox 5.2.4
- Size of VM image and virtual disk added to install instructions
- Operating System: Ubuntu 16.04.3 LTS
- Tools:
- torque server
- openmpi libraries
- xmgrace, gnuplot, xcrysden, jmol
- Quantum Espresso v6.2
- Yambo v4.2.0
- fleur v0.27 MaXR2
- siesta v4.0.1
- cp2k v5.1
- aiida v0.10.0
- aiida-fleur v0.6.0
- aiida-quantumespresso v1.0.1
- aiida-siesta v0.9.7.1
- aiida-cp2k v0.2.2
- pseudopotentials:
- sssp-pbe-accuracy v0.7
- sg15-oncv-1.1