aiida-mpds

status beta

General information

Install pip install git+https://github.com/mpds-io/mpds-aiida

Source code https://github.com/mpds-io/mpds-aiida

Documentation https://github.com/mpds-io/mpds-aiida

Python import import aiida_mpds

Registry checks

W002: AiiDA version not found

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

E004: Unable to retrieve plugin metadata, retrieve plugin info from 'https://raw.githubusercontent.com/mpds-io/mpds-aiida/master/setup.json' failed.<pre>Traceback (most recent call last): File "/home/runner/work/aiida-registry/aiida-registry/aiida_registry/utils.py", line 23, in fetch_file response.raise_for_status() File "/opt/hostedtoolcache/Python/3.10.21/x64/lib/python3.10/site-packages/requests/models.py", line 1021, in raise_for_status raise HTTPError(http_error_msg, response=self) requests.exceptions.HTTPError: 404 Client Error: Not Found for url: https://raw.githubusercontent.com/mpds-io/mpds-aiida/master/setup.json </pre>

E001: Failed to install plugin aiida-mpds<pre>Collecting git+https://github.com/mpds-io/mpds-aiida Cloning https://github.com/mpds-io/mpds-aiida to /tmp/pip-req-build-dj22t953 Running command git clone --filter=blob:none --quiet https://github.com/mpds-io/mpds-aiida /tmp/pip-req-build-dj22t953 Resolved https://github.com/mpds-io/mpds-aiida to commit d41f6b26e1c1493390aa760e50d38ff0c5ae45a1 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 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' Collecting reentry>=1.3.1 (from mpds-aiida==0.11.4) Using cached reentry-1.3.3-py3-none-any.whl.metadata (10 kB) Requirement already satisfied: numpy>=1.17.5 in ./.local/lib/python3.10/site-packages (from mpds-aiida==0.11.4) (2.2.6) Collecting ase>=3.19 (from mpds-aiida==0.11.4) Downloading ase-3.29.0-py3-none-any.whl.metadata (4.4 kB) Collecting jsonschema<=3.2.0 (from mpds-aiida==0.11.4) Downloading jsonschema-3.2.0-py2.py3-none-any.whl.metadata (7.8 kB) Collecting phonopy==2.19.1 (from mpds-aiida==0.11.4) Downloading phonopy-2.19.1.tar.gz (3.7 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.7/3.7 MB 14.4 MB/s 0:00:00 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 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' Collecting yascheduler>=1.0.12 (from mpds-aiida==0.11.4) Downloading yascheduler-1.6.1-py3-none-any.whl.metadata (13 kB) Collecting aiida-phonopy>=1.2.0 (from mpds-aiida==0.11.4) Downloading aiida_phonopy-1.8.0-py3-none-any.whl.metadata (6.6 kB) Collecting aiida-fleur>=2.0.0 (from mpds-aiida==0.11.4) Downloading aiida_fleur-2.0.0-py3-none-any.whl.metadata (33 kB) INFO: pip is looking at multiple versions of mpds-aiida to determine which version is compatible with other requirements. This could take a while. ERROR: Cannot install mpds-aiida==0.11.4 because these package versions have conflicting dependencies. The conflict is caused by: mpds-aiida 0.11.4 depends on aiida-core<2.9.0 The user requested (constraint) aiida-core==2.9.2 Additionally, some packages in these conflicts have no matching distributions available for your environment: aiida-core To fix this you could try to: 1. loosen the range of package versions you've specified 2. remove package versions to allow pip to attempt to solve the dependency conflict ERROR: ResolutionImpossible: for help visit https://pip.pypa.io/en/latest/topics/dependency-resolution/#dealing-with-dependency-conflicts </pre>

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