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3.1.0

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aiida-codtools

The Official AiiDA plugin for the cod-tools package.

aiidaworkflows
Published2 Feb 2023
Direct dependencies12
Transitive dependenciesNot calculated

README

Version 3.1.0 documentation

aiida-codtools

PyPI version PyPI pyversions Build Status Docs status

This is the official AiiDA plugin for cod-tools.

Compatibility matrix

The following table shows which versions of aiida-codtools are compatible with which versions of AiiDA and Python.

PluginAiiDAPython
v3.0.0 < v4.0.0Compatibility for v3.0PyPI pyversions
v2.2.0 < v3.0.0Compatibility for v2.2PyPI pyversions
v2.1.0 < v2.2.0Compatibility for v2.1PyPI pyversions
v2.0.0 < v2.1.0Compatibility for v2.0PyPI pyversions
v1.0.0 < v2.0.0Compatibility for v1.0PyPI pyversions

Installation

To install from PyPi, simply execute:

pip install aiida-codtools

or when installing from source:

git clone https://github.com/aiidateam/aiida-codtools
pip install aiida-codtools

Get started

In order to use aiida-codtools, after installing the package, aiida-core needs to be setup and configured. For instructions please follow the documentation of aiida-core.

The package provides a command line script aiida-codtools that comes with some useful commands, such as launching calculation or imports CIF files. Call the command with the --help flag to display its usage:

Usage: aiida-codtools [OPTIONS] COMMAND [ARGS]...

  CLI for the `aiida-codtools` plugin.

Options:
  -p, --profile PROFILE  Execute the command for this profile instead of the default profile.
  -h, --help             Show this message and exit.

Commands:
  calculation  Commands to launch and interact with calculations.
  data         Commands to import, create and inspect data nodes.
  workflow     Commands to launch and interact with workflows.

Each sub command can have multiple other sub commands. To enable tab completion, add the following line to your shell activation script:

eval "$(_AIIDA_CODTOOLS_COMPLETE=source aiida-codtools)"

To import 10 random CIF files from the COD database, for example, you can do the following:

verdi group create cod_cif_raw
aiida-codtools data cif import -d cod -G cod_cif_raw -M 10

After you have configured a computer and a code, you can also easily launch a cod-tools calculation through AiiDA:

aiida-codtools calculation launch cod-tools -X cif-filter -N 10

Here cif-filter is the label of the code that you have configured and 10 is the pk of a CifData node. These will most likely be different for your database, so change them accordingly.

Documentation

The documentation for this package can be found on readthedocs.

Acknowledgements

This work is supported in part by the swissuniversities P-5 project "Materials Cloud".

swissuniversities

Downloads & popularity

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Download counts and popularity will appear here as the collector receives them.

Declared dependencies 12

Native requirements
12 direct targetsNot calculated transitive count
Package / targetRequirementRelationship
aiida-core
Environment
{
  "extras": "atomic_tools",
  "marker": null,
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
aiida-core[atomic_tools]~=2.1runtime
pgtest
Environment
{
  "extras": "",
  "marker": "extra == \"dev\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
pgtest~=1.3 ; extra == "dev"runtime
pre-commit
Environment
{
  "extras": "",
  "marker": "extra == \"dev\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
pre-commit~=2.17 ; extra == "dev"runtime
pylint
Environment
{
  "extras": "",
  "marker": "extra == \"dev\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
pylint~=2.16.0 ; extra == "dev"runtime
pylint-aiida
Environment
{
  "extras": "",
  "marker": "extra == \"dev\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
pylint-aiida~=0.1 ; extra == "dev"runtime
pytest
Environment
{
  "extras": "",
  "marker": "extra == \"dev\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
pytest~=7.0 ; extra == "dev"runtime
pytest-regressions
Environment
{
  "extras": "",
  "marker": "extra == \"dev\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
pytest-regressions~=1.0 ; extra == "dev"runtime
toml
Environment
{
  "extras": "",
  "marker": "extra == \"dev\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
toml ; extra == "dev"runtime
docutils
Environment
{
  "extras": "",
  "marker": "extra == \"docs\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
docutils ; extra == "docs"runtime
jinja2
Environment
{
  "extras": "",
  "marker": "extra == \"docs\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
jinja2>=3.0 ; extra == "docs"runtime
sphinx
Environment
{
  "extras": "",
  "marker": "extra == \"docs\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
sphinx~=4.1 ; extra == "docs"runtime
sphinx_rtd_theme
Environment
{
  "extras": "",
  "marker": "extra == \"docs\"",
  "requires_python": ">=3.8",
  "evaluation": "NOT_EVALUATED"
}
sphinx_rtd_theme ; extra == "docs"runtime

Distribution files

2 collected
aiida_codtools-3.1.0-py3-none-any.whl

bdist_wheel · 36.11 KB · Python py3

Source file
aiida-codtools-3.1.0.tar.gz

sdist · 29.36 KB · Python source

Source file

Repository

ACCESSIBLE
aiidateam/aiida-codtools

Shared repository data · GitHub

License detected in repository
MIT
License branch / ref
main
Last push
27 Aug 2025
Archived
No
Contributor identities
— · partial collection

Public sponsor counts have not been collected. These signals belong to the repository owner.

Downloads & popularity

7count
Gauge · observed snapshots21 Oct 2026
73.50
2026-10-21: 7 · observed 2026-10-21T14:23:36.0273900Z
21 Oct21 Oct

github · 1 observations shown. Missing days are unknown.

View observed values
Date / source periodValueObserved at
2026-10-2172026-10-21T14:23:36.0273900Z

Metadata history

Meaningful changes
Current collected state Current

Observed since 21 Oct, 10:56 UTC

No superseded metadata states collected. Unchanged observations do not create new revisions.

Record identity

package_version:514eeb8fa57a4326b88b344aa6f33ee691900f66942e7a13ae59cd89a42c264b

Other collected versions

View all collected versions →