Set up of Siesta code is wrong.
Closed this issue · 6 comments
Not even sure if the issue is here, but the code siesta-v4.1-rc1-siesta
available from the aiida set up in the quantum mobile (last version at least) contains a wrong remote absolute path. It shows local/Obj
instead of local/bin
.
This makes aiida_siesta unusable in the quantum mobile.
ok, thanks for reporting!
would you mind making a PR to fix the role?
Edit: Indeed, the validation of file paths for codes is a contentious issue aiidateam/aiida-core#868 but here it would have helped
Sorry @ltalirz but I have no idea about the mechanism.
Is it here?
https://github.com/marvel-nccr/ansible-role-siesta/blob/ab36d895eba05504d0ede8589ff9fbb6ca862148/defaults/main.yml#L26
When you install siesta, the executable is in the Obj folder of the siesta package. However in the quantum mobile all the executables seem to be in /usr/local/bin. I guess you copy them automatically after installation.
Indeed - I see the executables are now copied one by one https://github.com/marvel-nccr/ansible-role-siesta/blob/ab36d895eba05504d0ede8589ff9fbb6ca862148/tasks/main.yml#L81-L132 (I guess this was introduced by Alberto).
Simply removing the /Obj postfix should resolve the issue.
...mmm... I'm not understanding. The siesta executable is in the folder /usr/local/bin, so I think everything is correct from the siesta role. The problem comes in the setting up of the code in aiida. Is it done here:
ansible-role-aiida/tasks/plugins/aiida-siesta.yml
Lines 13 to 26 in 9ee58f9
The item.name is correct. What is the item.folder? I'm very confused
What is the item.folder?
Ok, now I understood. So this folder
is not used in the task of the siesta-role, but it is used by the aiida-role. Ok. I'll fix it.
Cheers!