Update for aiida-core version 1.2.1

marvel-nccr / ansible-role-aiida

An ansible role that installs and configures AiiDA on Ubuntu.

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Update for aiida-core version 1.2.1 #34

Closed chrisjsewell closed 4 years ago

chrisjsewell commented 4 years ago

So far:

[x] updated aiida-core to 1.2.1
[x] updated plugin packages, in accordance with https://github.com/aiidalab/aiidalab/blob/master/requirements.txt
[x] The URL for the materials archive appears to have changed, so e.g. the SSSP pseudopotentials can't be downloaded (this is the same for ansible-role-quantumespresso)
[ ] However, I guess we want to move to obtaining these via aiida-sssp/aiida-pseudo anyway. @sphuber what is the state of play on these? What should we add to the image for the tutorial week

ltalirz commented 4 years ago

Yes, alternatively you can use the new link for the SSSP files: https://archive.materialscloud.org/record/23

chrisjsewell commented 4 years ago

Yes, alternatively you can use the new link for the SSSP files: https://archive.materialscloud.org/record/23

This doesn't work, in terms of the current setup of url: "{{ pp.url }}/{{ pp.file }}" though? Is there a similar URL, or do you have to use the full qualifier now like:

https://archive.materialscloud.org/record/file?file_id=736dfd31-0e94-443f-ad91-23be35beb85b&filename=SSSP_1.0_PBE_efficiency.aiida&record_id=23

sphuber commented 4 years ago

I released a patch version 0.1.1 that fixes it though. It should work as long as they keep the legacy URL redirect online. So for the tutorial that should work

chrisjsewell commented 4 years ago

ah yes I see thanks: https://github.com/aiidateam/aiida-sssp/commit/ff682db3147c96c9af189b29d89e72453c8708ce

chrisjsewell commented 4 years ago

cheers, just need to add the extra reentry scan somewhere, to fix the issue I encountered:

TASK [marvel-nccr.aiida : Setup qe-6.5-pw code for AiiDA] *********************************************
fatal: [quantum-mobile]: FAILED! => changed=true 
  cmd: |-
    ${HOME}/.virtualenvs/aiida/bin/verdi code setup --non-interactive\
      --config "${HOME}/.local/share/aiida/qe-6.5-pw.yml"
  delta: '0:00:01.311402'
  end: '2020-06-11 11:15:39.464039'
  msg: non-zero return code
  rc: 2
  start: '2020-06-11 11:15:38.152637'
  stderr: |-
    Usage: verdi code setup [OPTIONS]

    Error: Invalid value for '-P' / '--input-plugin': entry point 'quantumespresso.pw' matches more than one valid entry point group [aiida.calculations aiida.calculations], please specify an explicit group prefix
  stderr_lines: <omitted>
  stdout: ''
  stdout_lines: <omitted>

Caused by reentry listing the quantum-espresso plugins twice.

chrisjsewell commented 4 years ago

Yep recreated the bug locally. It is because the reentry scan handler isn't triggering, due to the warning: [WARNING]: flush_handlers task does not support when conditional which is weird considering it does not have a when conditional

chrisjsewell commented 4 years ago

Yeh so apparently even when statements "higher up" in the process cause flush_handlers to stop working, i.e. the one on the import_tasks action 😒 https://github.com/ansible/ansible/issues/41313 (se also https://groups.google.com/forum/#!topic/ansible-project/A3yTwp1PcxQ)

chrisjsewell commented 4 years ago

@ltalirz in 6fbca27 I've replaced all the handlers and flush_handlers

ltalirz commented 4 years ago

Ok, thanks for checking.

Another way of fixing this would be to put the reentry scan into the code setup - this way you need only a single one

chrisjsewell commented 4 years ago

Another way of fixing this would be to put the reentry scan into the code setup - this way you need only a single one

Yeh you could, but then it won't run unless you add the code, rather than just running after the install. I'm going to leave it in for now