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Hi,

The config for aiida code and computer is not so easy and intuitive for user who don't familiar with solid state physics.

Could you please instead download and use the ready-to-use ova image for virtualbox to do test here:

https://github.com/marvel-nccr/quantum-mobile/releases/

The ova image is ubuntu based and with all need tests pre-configed, so easy to do the things we told here.

If you do so, use the following steps after imported the ova into virtualbox and stared it:

# activate the virtualenv to see the python interpreter's location
# and set that python in the wing
$workon aiida$ which python


Then use the following code to do the test:

from aiida import load_profile
load_profile()
from aiida.plugins import CalculationFactory

PwCalculation = CalculationFactory('quantumespresso.pw')
builder = PwCalculation.get_builder()


Regards

Hi,

The config environment setting-up for aiida aiida's code and computer is not so easy and intuitive for user who don't familiar with solid state physics.physics and HPC.

Could you please instead download and use the ready-to-use ova image for virtualbox to do test here:

https://github.com/marvel-nccr/quantum-mobile/releases/

The ova image is ubuntu based and with all need tests pre-configed, so easy to do the things we told here.

If you do so, use the following steps after imported the ova into virtualbox and stared it:

# activate the virtualenv to see the python interpreter's location
# and set that python in the wing
$workon aiida$ which python


Then use the following code to do the test:

from aiida import load_profile
load_profile()
from aiida.plugins import CalculationFactory

PwCalculation = CalculationFactory('quantumespresso.pw')
builder = PwCalculation.get_builder()


Regards

Hi,

The environment setting-up for aiida's code and computer is not so easy and intuitive for user who don't familiar with solid state physics and HPC.

Could you please instead download and use the ready-to-use ova image for virtualbox to do test here:

https://github.com/marvel-nccr/quantum-mobile/releases/

The ova image is ubuntu based and with all need tests needed components pre-configed, so easy to do the things we told disccussed here.

If you do so, use the following steps after imported the ova into virtualbox and stared it:

# activate the virtualenv to see the python interpreter's location
# and set that python in the wing
$workon aiida$ which python


Then use the following code to do the test:

from aiida import load_profile
load_profile()
from aiida.plugins import CalculationFactory

PwCalculation = CalculationFactory('quantumespresso.pw')
builder = PwCalculation.get_builder()


Regards

Hi,

The environment setting-up for aiida's code and computer is not so easy and intuitive for user who don't doesn't familiar with solid state physics and HPC.

Could you please instead download and use the ready-to-use ova image for virtualbox to do test here:

https://github.com/marvel-nccr/quantum-mobile/releases/

The ova image is ubuntu based and with all needed components pre-configed, so easy to do the things we disccussed here.

If you do so, use the following steps after imported the ova into virtualbox and stared it:

# activate the virtualenv to see the python interpreter's location
# and set that python in the wing
$workon aiida$ which python


Then use the following code to do the test:

from aiida import load_profile
load_profile()
from aiida.plugins import CalculationFactory

PwCalculation = CalculationFactory('quantumespresso.pw')
builder = PwCalculation.get_builder()


Regards