I installed the aiida-diff as instruction, but the ./example_01.py does not work. I have uninstalled and reinstalled the aiida-diff, but the problem persists.
Here is the install process
"
$ pip install aiida-diff
Collecting aiida-diff
Downloading aiida_diff-2.0.0-py3-none-any.whl (10 kB)
Requirement already satisfied: aiida-core<3,>=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-diff) (2.5.0)
Requirement already satisfied: voluptuous in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-diff) (0.14.1)
Requirement already satisfied: alembic~=1.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (1.13.1)
Requirement already satisfied: archive-path~=0.4.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.4.2)
Requirement already satisfied: aio-pika~=6.6 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (6.8.1)
Requirement already satisfied: circus~=0.18.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.18.0)
Requirement already satisfied: click-spinner~=0.1.8 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.1.10)
Requirement already satisfied: click~=8.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (8.1.7)
Requirement already satisfied: disk-objectstore~=1.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (1.0.0)
Requirement already satisfied: docstring-parser in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.15)
Requirement already satisfied: graphviz~=0.19 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.20.1)
Requirement already satisfied: ipython>=7 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (8.20.0)
Requirement already satisfied: jedi<0.19 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.18.2)
Requirement already satisfied: jinja2~=3.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (3.1.3)
Requirement already satisfied: kiwipy~=0.7.7 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (0.7.7)
Requirement already satisfied: importlib-metadata~=6.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (6.10.0)
Requirement already satisfied: numpy~=1.21 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (1.26.3)
Requirement already satisfied: paramiko>=2.7.2,~=2.7 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.12.0)
Requirement already satisfied: plumpy~=0.21.6 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.21.7)
Requirement already satisfied: pgsu~=0.2.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.2.4)
Requirement already satisfied: psutil~=5.6 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (5.9.8)
Requirement already satisfied: psycopg2-binary~=2.8 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.9.3)
Requirement already satisfied: pydantic~=2.4 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.5.3)
Requirement already satisfied: pytz~=2021.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2021.3)
Requirement already satisfied: pyyaml~=6.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (6.0.1)
Requirement already satisfied: requests~=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.31.0)
Requirement already satisfied: sqlalchemy~=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.0.25)
Requirement already satisfied: tabulate~=0.8.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.8.10)
Requirement already satisfied: tqdm~=4.45 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (4.66.1)
Requirement already satisfied: upf_to_json~=0.9.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.9.2)
Requirement already satisfied: wrapt~=1.11 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (1.16.0)
Requirement already satisfied: aiormq<4,>=3.2.3 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aio-pika~=6.6->aiida-core<3,>=2.0->aiida-diff) (3.3.1)
Requirement already satisfied: yarl in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aio-pika~=6.6->aiida-core<3,>=2.0->aiida-diff) (1.9.4)
Requirement already satisfied: Mako in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from alembic~=1.2->aiida-core<3,>=2.0->aiida-diff) (1.3.1)
Requirement already satisfied: typing-extensions>=4 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from alembic~=1.2->aiida-core<3,>=2.0->aiida-diff) (4.9.0)
Requirement already satisfied: pyzmq>=17.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from circus~=0.18.0->aiida-core<3,>=2.0->aiida-diff) (25.1.2)
Requirement already satisfied: tornado>=5.0.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from circus~=0.18.0->aiida-core<3,>=2.0->aiida-diff) (6.3.3)
Requirement already satisfied: zipp>=0.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from importlib-metadata~=6.0->aiida-core<3,>=2.0->aiida-diff) (3.17.0)
Requirement already satisfied: decorator in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (5.1.1)
Requirement already satisfied: matplotlib-inline in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.1.6)
Requirement already satisfied: prompt-toolkit<3.1.0,>=3.0.41 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (3.0.42)
Requirement already satisfied: pygments>=2.4.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (2.17.2)
Requirement already satisfied: stack-data in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.6.2)
Requirement already satisfied: traitlets>=5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (5.14.1)
Requirement already satisfied: pexpect>4.3 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (4.9.0)
Requirement already satisfied: parso<0.9.0,>=0.8.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from jedi<0.19->aiida-core<3,>=2.0->aiida-diff) (0.8.3)
Requirement already satisfied: MarkupSafe>=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from jinja2~=3.0->aiida-core<3,>=2.0->aiida-diff) (2.1.4)
Requirement already satisfied: shortuuid in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (1.0.11)
Requirement already satisfied: async-generator in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (1.10)
Requirement already satisfied: pytray<0.4.0,>=0.2.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (0.3.4)
Requirement already satisfied: deprecation in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (2.1.0)
Requirement already satisfied: pamqp~=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (2.3.0)
Requirement already satisfied: bcrypt>=3.1.3 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (4.1.2)
Requirement already satisfied: cryptography>=2.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (39.0.0)
Requirement already satisfied: pynacl>=1.0.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (1.5.0)
Requirement already satisfied: six in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (1.16.0)
Requirement already satisfied: nest_asyncio~=1.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from plumpy~=0.21.6->aiida-core<3,>=2.0->aiida-diff) (1.6.0)
Requirement already satisfied: psycopg2==2.9.3 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from psycopg2-binary~=2.8->aiida-core<3,>=2.0->aiida-diff) (2.9.3)
Requirement already satisfied: annotated-types>=0.4.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from pydantic~=2.4->aiida-core<3,>=2.0->aiida-diff) (0.6.0)
Requirement already satisfied: pydantic-core==2.14.6 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from pydantic~=2.4->aiida-core<3,>=2.0->aiida-diff) (2.14.6)
Requirement already satisfied: charset-normalizer<4,>=2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from requests~=2.0->aiida-core<3,>=2.0->aiida-diff) (3.3.2)
Requirement already satisfied: idna<4,>=2.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from requests~=2.0->aiida-core<3,>=2.0->aiida-diff) (3.6)
Requirement already satisfied: urllib3<3,>=1.21.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from requests~=2.0->aiida-core<3,>=2.0->aiida-diff) (2.1.0)
Requirement already satisfied: certifi>=2017.4.17 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from requests~=2.0->aiida-core<3,>=2.0->aiida-diff) (2023.11.17)
Requirement already satisfied: greenlet!=0.4.17 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from sqlalchemy~=2.0->aiida-core<3,>=2.0->aiida-diff) (3.0.3)
Requirement already satisfied: cffi>=1.12 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from cryptography>=2.5->paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (1.16.0)
Requirement already satisfied: ptyprocess>=0.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from pexpect>4.3->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.7.0)
Requirement already satisfied: wcwidth in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from prompt-toolkit<3.1.0,>=3.0.41->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.2.13)
Requirement already satisfied: packaging in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from deprecation->kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (23.2)
Requirement already satisfied: executing>=1.2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from stack-data->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (2.0.1)
Requirement already satisfied: asttokens>=2.1.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from stack-data->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (2.4.1)
Requirement already satisfied: pure-eval in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from stack-data->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.2.2)
Requirement already satisfied: multidict>=4.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from yarl->aio-pika~=6.6->aiida-core<3,>=2.0->aiida-diff) (6.0.4)
Requirement already satisfied: pycparser in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from cffi>=1.12->cryptography>=2.5->paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (2.21)
Installing collected packages: aiida-diff
Successfully installed aiida-diff-2.0.0
(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter$ verdi quicksetup
"
And here is after install:
"
$ pwd/home/yang/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ ls
example_01.py example_02.py input_files
(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ verdi profile list
Report: configuration folder: /home/yang/.aiida
archive
quicksetup
test_aiida-diff
(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ verdi plugin list aiida.calculations
Registered entry points for aiida.calculations:
core.arithmetic.add
core.templatereplacer
core.transfer
diff
test
Report: Pass the entry point as an argument to display detailed information
(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ verdi daemon start
Starting the daemon with 1 workers... OK
(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ ./example_01.py
/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida_diff/helpers.py:49: AiidaDeprecationWarning: objects property is deprecated, use collection instead. (this will be removed in v3)
computer = Computer.objects.get(label=name)
Traceback (most recent call last):
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida_diff/helpers.py", line 49, in get_computer
computer = Computer.objects.get(label=name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/entities.py", line 128, in get
return res.one()[0]
^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/querybuilder.py", line 1129, in one
raise NotExistent('No result was found')
aiida.common.exceptions.NotExistent: No result was found
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/yang/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples/./example_01.py", line 72, in
cli() # pylint: disable=no-value-for-parameter
^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/click/core.py", line 1157, in call
return self.main(args, kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/click/core.py", line 1078, in main
rv = self.invoke(ctx)
^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/click/core.py", line 1434, in invoke
return ctx.invoke(self.callback, ctx.params)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/click/core.py", line 783, in invoke
return __callback(args, *kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/cmdline/utils/decorators.py", line 81, in wrapper
return wrapped(args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples/./example_01.py", line 68, in cli
test_run(code)
File "/home/yang/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples/./example_01.py", line 25, in test_run
computer = helpers.get_computer()
^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida_diff/helpers.py", line 62, in get_computer
computer.store()
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/computers.py", line 288, in store
self.validate()
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/computers.py", line 237, in validate
self._transport_type_validator(self.transport_type)
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/computers.py", line 153, in _transport_type_validator
raise exceptions.ValidationError('The specified transport is not a valid one')
aiida.common.exceptions.ValidationError: The specified transport is not a valid one
(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$
"
Would you please give me some help? Many thanks for that!
Sincerely,
Dr. Guoyu Yang
Lecturer
Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute
185 Yinjiang Rd.,
Jimei District, Xiamen,361021
Fujian, China
E-mail: 201961000100@jmu.edu.cn
Hi,
I installed the aiida-diff as instruction, but the ./example_01.py does not work. I have uninstalled and reinstalled the aiida-diff, but the problem persists.
Here is the install process
" $ pip install aiida-diff Collecting aiida-diff Downloading aiida_diff-2.0.0-py3-none-any.whl (10 kB) Requirement already satisfied: aiida-core<3,>=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-diff) (2.5.0) Requirement already satisfied: voluptuous in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-diff) (0.14.1) Requirement already satisfied: alembic~=1.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (1.13.1) Requirement already satisfied: archive-path~=0.4.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.4.2) Requirement already satisfied: aio-pika~=6.6 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (6.8.1) Requirement already satisfied: circus~=0.18.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.18.0) Requirement already satisfied: click-spinner~=0.1.8 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.1.10) Requirement already satisfied: click~=8.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (8.1.7) Requirement already satisfied: disk-objectstore~=1.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (1.0.0) Requirement already satisfied: docstring-parser in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.15) Requirement already satisfied: graphviz~=0.19 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.20.1) Requirement already satisfied: ipython>=7 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (8.20.0) Requirement already satisfied: jedi<0.19 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.18.2) Requirement already satisfied: jinja2~=3.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (3.1.3) Requirement already satisfied: kiwipy~=0.7.7 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (0.7.7) Requirement already satisfied: importlib-metadata~=6.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (6.10.0) Requirement already satisfied: numpy~=1.21 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (1.26.3) Requirement already satisfied: paramiko>=2.7.2,~=2.7 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.12.0) Requirement already satisfied: plumpy~=0.21.6 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.21.7) Requirement already satisfied: pgsu~=0.2.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.2.4) Requirement already satisfied: psutil~=5.6 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (5.9.8) Requirement already satisfied: psycopg2-binary~=2.8 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.9.3) Requirement already satisfied: pydantic~=2.4 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.5.3) Requirement already satisfied: pytz~=2021.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2021.3) Requirement already satisfied: pyyaml~=6.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (6.0.1) Requirement already satisfied: requests~=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.31.0) Requirement already satisfied: sqlalchemy~=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (2.0.25) Requirement already satisfied: tabulate~=0.8.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.8.10) Requirement already satisfied: tqdm~=4.45 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (4.66.1) Requirement already satisfied: upf_to_json~=0.9.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (0.9.2) Requirement already satisfied: wrapt~=1.11 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aiida-core<3,>=2.0->aiida-diff) (1.16.0) Requirement already satisfied: aiormq<4,>=3.2.3 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aio-pika~=6.6->aiida-core<3,>=2.0->aiida-diff) (3.3.1) Requirement already satisfied: yarl in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from aio-pika~=6.6->aiida-core<3,>=2.0->aiida-diff) (1.9.4) Requirement already satisfied: Mako in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from alembic~=1.2->aiida-core<3,>=2.0->aiida-diff) (1.3.1) Requirement already satisfied: typing-extensions>=4 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from alembic~=1.2->aiida-core<3,>=2.0->aiida-diff) (4.9.0) Requirement already satisfied: pyzmq>=17.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from circus~=0.18.0->aiida-core<3,>=2.0->aiida-diff) (25.1.2) Requirement already satisfied: tornado>=5.0.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from circus~=0.18.0->aiida-core<3,>=2.0->aiida-diff) (6.3.3) Requirement already satisfied: zipp>=0.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from importlib-metadata~=6.0->aiida-core<3,>=2.0->aiida-diff) (3.17.0) Requirement already satisfied: decorator in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (5.1.1) Requirement already satisfied: matplotlib-inline in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.1.6) Requirement already satisfied: prompt-toolkit<3.1.0,>=3.0.41 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (3.0.42) Requirement already satisfied: pygments>=2.4.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (2.17.2) Requirement already satisfied: stack-data in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.6.2) Requirement already satisfied: traitlets>=5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (5.14.1) Requirement already satisfied: pexpect>4.3 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from ipython>=7->aiida-core<3,>=2.0->aiida-diff) (4.9.0) Requirement already satisfied: parso<0.9.0,>=0.8.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from jedi<0.19->aiida-core<3,>=2.0->aiida-diff) (0.8.3) Requirement already satisfied: MarkupSafe>=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from jinja2~=3.0->aiida-core<3,>=2.0->aiida-diff) (2.1.4) Requirement already satisfied: shortuuid in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (1.0.11) Requirement already satisfied: async-generator in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (1.10) Requirement already satisfied: pytray<0.4.0,>=0.2.2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (0.3.4) Requirement already satisfied: deprecation in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (2.1.0) Requirement already satisfied: pamqp~=2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (2.3.0) Requirement already satisfied: bcrypt>=3.1.3 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (4.1.2) Requirement already satisfied: cryptography>=2.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (39.0.0) Requirement already satisfied: pynacl>=1.0.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (1.5.0) Requirement already satisfied: six in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (1.16.0) Requirement already satisfied: nest_asyncio~=1.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from plumpy~=0.21.6->aiida-core<3,>=2.0->aiida-diff) (1.6.0) Requirement already satisfied: psycopg2==2.9.3 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from psycopg2-binary~=2.8->aiida-core<3,>=2.0->aiida-diff) (2.9.3) Requirement already satisfied: annotated-types>=0.4.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from pydantic~=2.4->aiida-core<3,>=2.0->aiida-diff) (0.6.0) Requirement already satisfied: pydantic-core==2.14.6 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from pydantic~=2.4->aiida-core<3,>=2.0->aiida-diff) (2.14.6) Requirement already satisfied: charset-normalizer<4,>=2 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from requests~=2.0->aiida-core<3,>=2.0->aiida-diff) (3.3.2) Requirement already satisfied: idna<4,>=2.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from requests~=2.0->aiida-core<3,>=2.0->aiida-diff) (3.6) Requirement already satisfied: urllib3<3,>=1.21.1 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from requests~=2.0->aiida-core<3,>=2.0->aiida-diff) (2.1.0) Requirement already satisfied: certifi>=2017.4.17 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from requests~=2.0->aiida-core<3,>=2.0->aiida-diff) (2023.11.17) Requirement already satisfied: greenlet!=0.4.17 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from sqlalchemy~=2.0->aiida-core<3,>=2.0->aiida-diff) (3.0.3) Requirement already satisfied: cffi>=1.12 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from cryptography>=2.5->paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (1.16.0) Requirement already satisfied: ptyprocess>=0.5 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from pexpect>4.3->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.7.0) Requirement already satisfied: wcwidth in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from prompt-toolkit<3.1.0,>=3.0.41->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.2.13) Requirement already satisfied: packaging in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from deprecation->kiwipy~=0.7.7->kiwipy[rmq]~=0.7.7->aiida-core<3,>=2.0->aiida-diff) (23.2) Requirement already satisfied: executing>=1.2.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from stack-data->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (2.0.1) Requirement already satisfied: asttokens>=2.1.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from stack-data->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (2.4.1) Requirement already satisfied: pure-eval in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from stack-data->ipython>=7->aiida-core<3,>=2.0->aiida-diff) (0.2.2) Requirement already satisfied: multidict>=4.0 in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from yarl->aio-pika~=6.6->aiida-core<3,>=2.0->aiida-diff) (6.0.4) Requirement already satisfied: pycparser in /home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages (from cffi>=1.12->cryptography>=2.5->paramiko>=2.7.2,~=2.7->aiida-core<3,>=2.0->aiida-diff) (2.21) Installing collected packages: aiida-diff Successfully installed aiida-diff-2.0.0 (aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter$ verdi quicksetup
"
And here is after install: "
$ pwd
/home/yang/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples
(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ ls
example_01.py example_02.py input_files (aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ verdi profile list Report: configuration folder: /home/yang/.aiida archive quicksetupReport: Pass the entry point as an argument to display detailed information (aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ verdi daemon start
Starting the daemon with 1 workers... OK (aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$ ./example_01.py
/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida_diff/helpers.py:49: AiidaDeprecationWarning:
objects
property is deprecated, usecollection
instead. (this will be removed in v3) computer = Computer.objects.get(label=name) Traceback (most recent call last): File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida_diff/helpers.py", line 49, in get_computer computer = Computer.objects.get(label=name) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/entities.py", line 128, in get return res.one()[0] ^^^^^^^^^ File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/querybuilder.py", line 1129, in one raise NotExistent('No result was found') aiida.common.exceptions.NotExistent: No result was foundDuring handling of the above exception, another exception occurred:
Traceback (most recent call last): File "/home/yang/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples/./example_01.py", line 72, in
cli() # pylint: disable=no-value-for-parameter
^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/click/core.py", line 1157, in call
return self.main(args, kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/click/core.py", line 1078, in main
rv = self.invoke(ctx)
^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/click/core.py", line 1434, in invoke
return ctx.invoke(self.callback, ctx.params)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/click/core.py", line 783, in invoke
return __callback(args, *kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/cmdline/utils/decorators.py", line 81, in wrapper
return wrapped(args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples/./example_01.py", line 68, in cli
test_run(code)
File "/home/yang/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples/./example_01.py", line 25, in test_run
computer = helpers.get_computer()
^^^^^^^^^^^^^^^^^^^^^^
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida_diff/helpers.py", line 62, in get_computer
computer.store()
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/computers.py", line 288, in store
self.validate()
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/computers.py", line 237, in validate
self._transport_type_validator(self.transport_type)
File "/home/yang/miniforge3/envs/aiida/lib/python3.11/site-packages/aiida/orm/computers.py", line 153, in _transport_type_validator
raise exceptions.ValidationError('The specified transport is not a valid one')
aiida.common.exceptions.ValidationError: The specified transport is not a valid one
(aiida) yang@yang-Inspiron-3670:~/AiiDA/cookiecutter/aiida-diff/aiida-diff-master/examples$
"
Would you please give me some help? Many thanks for that!
Sincerely, Dr. Guoyu Yang Lecturer Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute 185 Yinjiang Rd., Jimei District, Xiamen,361021 Fujian, China E-mail: 201961000100@jmu.edu.cn