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marvel-nccr
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ansible-role-aiida
An ansible role that installs and configures AiiDA on Ubuntu.
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feat: modularize profile setup
#80
ltalirz
closed
1 year ago
0
reintroduce testing on RedHat distro line
#79
ltalirz
opened
1 year ago
3
fix CI failure
#78
ltalirz
closed
1 year ago
0
CI: error in postgresql startup
#77
ltalirz
closed
1 year ago
0
drop final trace of "AiiDA examples"
#76
ltalirz
closed
1 year ago
0
⬆️ UPDATE: aiida-core v2.0.1
#75
chrisjsewell
closed
2 years ago
0
Conflict due to new versions of jupyter-client
#74
bosonie
closed
1 year ago
1
bump aiida-core to 1.6.5
#73
ltalirz
closed
1 year ago
10
✨ NEW: Add aiida-common-workflow (& update pip/aiida-core)
#72
chrisjsewell
closed
3 years ago
0
👌 IMPROVE: Add `prepend_text` for codes
#71
chrisjsewell
closed
3 years ago
0
🐛 FIX: pymatgen/numpy compilation issue
#70
chrisjsewell
closed
3 years ago
0
👌 IMPROVE: Make `mpirun_command` configurable
#69
sphuber
closed
3 years ago
2
Make the `mpirun_command` in the template for the computer setup customizable
#68
sphuber
closed
3 years ago
0
‼️ BREAKING: Label codes by executable version
#67
chrisjsewell
closed
3 years ago
0
👌 IMPROVE: Use `/tmp` folder for psuedo downloads
#66
chrisjsewell
closed
3 years ago
0
⬆️ UPDATE: aiida-core/quantum-espresso/abinit
#65
chrisjsewell
closed
3 years ago
0
👌 IMPROVE: Add `aiida_jupyter_extra_args`
#64
chrisjsewell
closed
3 years ago
0
Load pmsl pseudopotentials (for siesta)
#63
chrisjsewell
opened
3 years ago
0
🧪 TEST: Start molecule container with systemd as PID1
#62
chrisjsewell
closed
3 years ago
4
🐛 FIX: rabbitmq shutdown for systemd
#61
chrisjsewell
closed
3 years ago
0
👌 IMPROVE: add `aiida_kernel_name` option
#60
chrisjsewell
closed
3 years ago
0
🧪 TESTS: Split CI
#59
chrisjsewell
closed
3 years ago
0
Relevance of aiida-examples.yml?
#58
chrisjsewell
closed
1 year ago
2
✨ NEW: Add %aiida magic configuration
#57
chrisjsewell
closed
3 years ago
1
👌 IMPROVE: Write pip constraints file
#56
chrisjsewell
closed
3 years ago
0
Add %aiida magic for jupyter
#55
chrisjsewell
closed
3 years ago
0
🐛 FIX: executable permissions
#54
chrisjsewell
closed
3 years ago
0
✨ NEW: Add virtualenvwrapper & jupyter environment
#53
chrisjsewell
closed
3 years ago
0
✨ NEW: Allow for selection of python version
#52
chrisjsewell
closed
3 years ago
1
Fix systemd templates for profile name with dashes
#51
chrisjsewell
closed
3 years ago
3
re-fix systemd templates
#50
ltalirz
closed
3 years ago
5
fix systemd templates for profile name with dashes
#49
ltalirz
closed
3 years ago
4
⬆️ Update to aiida-core v1.4.2
#48
chrisjsewell
closed
3 years ago
25
remove additional ubuntu 20.04 apt installs, when psutil has wheel
#47
chrisjsewell
opened
3 years ago
1
Update version of aiida_siesta
#46
bosonie
closed
3 years ago
0
🧪 Move to GitHub CI
#45
chrisjsewell
closed
3 years ago
9
Update plugins: aiida_bigdft 0.2.1a2, aiida_quantumespresso 3.1.0
#44
borellim
closed
3 years ago
0
issues with aiida-siesta
#43
chrisjsewell
closed
3 years ago
1
Set up of Siesta code is wrong.
#42
bosonie
closed
4 years ago
6
Fix missing react-dom js
#41
chrisjsewell
closed
4 years ago
0
jupyter is missing react component
#40
chrisjsewell
closed
4 years ago
0
Use tag v1.3.0 for aiida-core
#39
borellim
closed
4 years ago
0
SSSP pseudos not listed in `verdi group list `
#38
chrisjsewell
opened
4 years ago
7
Use aiida-core 1.3.0 tag when released
#37
chrisjsewell
closed
4 years ago
0
Update aiida 1.3.0, aiida-cp2k 1.1.0, aiida-bigdft 0.2.1a1
#36
borellim
closed
4 years ago
0
Add aiida-sssp and/or aiida-pseudo to image
#35
chrisjsewell
opened
4 years ago
3
Update for aiida-core version 1.2.1
#34
chrisjsewell
closed
4 years ago
10
add aiida-wannier90-workflows
#33
ltalirz
closed
4 years ago
0
remove changed_when in aiida plugins
#32
ltalirz
closed
4 years ago
0
Add ansible tests
#31
ltalirz
closed
4 years ago
0
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