aiida-alloy

Aiida Workflows for Elastic Constants using Quantum Espresso

status beta

AiiDA >=1.0.0a0

General information

Install pip install git+https://github.com/DanielMarchand/aiida-alloy

Source code https://github.com/DanielMarchand/aiida-alloy

Documentation No documentation provided by the package author.

Author(s) The AiiDA developers group

Python import import aiida_alloy

Latest version 0.1.0a0

Registry checks

W003: Missing classifier 'Framework :: AiiDA'

W006: 'development_status' key is deprecated. Use PyPI Trove classifiers in the plugin repository instead.

W010: Entry point 'elastic' does not start with prefix 'alloy.'

E001: Failed to install plugin aiida-alloy<pre>Collecting git+https://github.com/DanielMarchand/aiida-alloy Cloning https://github.com/DanielMarchand/aiida-alloy to /tmp/pip-req-build-h1enm3y6 Running command git clone --filter=blob:none --quiet https://github.com/DanielMarchand/aiida-alloy /tmp/pip-req-build-h1enm3y6 Resolved https://github.com/DanielMarchand/aiida-alloy to commit dfae54b29291dfe94d4a5ca136738020f447bc1e Installing build dependencies: started Installing build dependencies: finished with status 'done' Getting requirements to build wheel: started Getting requirements to build wheel: finished with status 'error' error: subprocess-exited-with-error × Getting requirements to build wheel did not run successfully. │ exit code: 1 ╰─> [17 lines of output] Traceback (most recent call last): File "/opt/conda/lib/python3.10/site-packages/pip/_vendor/pyproject_hooks/_in_process/_in_process.py", line 389, in <module> main() File "/opt/conda/lib/python3.10/site-packages/pip/_vendor/pyproject_hooks/_in_process/_in_process.py", line 373, in main json_out["return_val"] = hook(**hook_input["kwargs"]) File "/opt/conda/lib/python3.10/site-packages/pip/_vendor/pyproject_hooks/_in_process/_in_process.py", line 143, in get_requires_for_build_wheel return hook(config_settings) File "/tmp/pip-build-env-rfd84uow/overlay/lib/python3.10/site-packages/setuptools/build_meta.py", line 333, in get_requires_for_build_wheel return self._get_build_requires(config_settings, requirements=[]) File "/tmp/pip-build-env-rfd84uow/overlay/lib/python3.10/site-packages/setuptools/build_meta.py", line 301, in _get_build_requires self.run_setup() File "/tmp/pip-build-env-rfd84uow/overlay/lib/python3.10/site-packages/setuptools/build_meta.py", line 520, in run_setup super().run_setup(setup_script=setup_script) File "/tmp/pip-build-env-rfd84uow/overlay/lib/python3.10/site-packages/setuptools/build_meta.py", line 317, in run_setup exec(code, locals()) # noqa: S102 # exec is intentional here File "<string>", line 20, in <module> FileNotFoundError: [Errno 2] No such file or directory: 'README.md' [end of output] note: This error originates from a subprocess, and is likely not a problem with pip. ERROR: Failed to build 'git+https://github.com/DanielMarchand/aiida-alloy' when getting requirements to build wheel </pre>

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Plugins provided

Workflows 1

Entry points

WorkChains and work functions aiida.workflows

elastic
aiida_alloy.workflows.ElasticWorkChain:ElasticWorkChain