spglib

This is the spglib module.

108 个版本 Python >=3.9

安装

pip install spglib

poetry add spglib

pipenv install spglib

conda install spglib

描述

spglib

Python bindings for C library for finding and handling crystal symmetries

Installation

The package is developed on GitHub. You can get the source for the released versions from the repository <https://github.com/spglib/spglib/releases>__.

Note that the Python bindings will link to the system/environment installed Spglib (loaded from :code:LD_LIBRARY_PATH or :code:DYLD_LIBRARY_PATH), and it will default to a bundled version otherwise. To always use the system version of Spglib (e.g. in a lua-module environment) delete the bundled libraries :code:libsymspg.so* in the python Spglib installation directory.

Using package distribution service


The easiest way to install python-spglib is to use the pypi package, for
which numpy is required to be installed before the installation. A
command to install spglib is:

.. code-block:: console

    $ pip install spglib

Conda is another choice:

.. code-block:: console

    $ conda install -c conda-forge spglib

These packages are made by Pawel T. Jochym.

Building from source
~~~~~~~~~~~~~~~~~~~~

To build from source, make sure you have installed the build requirements
in :code:`pyproject.toml`. Then simply run the following in the root directory.

.. code-block:: console

    $ python -m build
    $ pip install .

To include testing or documentation environments, simply include the relevant extras

.. code-block:: console

    $ pip install .[test]

Running tests
~~~~~~~~~~~~~

After installing the project with appropriate extras (:code:`testing`), either from
package manager or from source, simply run :code:`pytest` in the current directory
to test the python bindings

.. code-block:: console

    $ pytest

分类

Development Status :: 5 - Production/Stable Intended Audience :: Science/Research Operating System :: MacOS Operating System :: Microsoft :: Windows Operating System :: Unix Programming Language :: C Programming Language :: Python :: 3 Programming Language :: Python :: 3 :: Only Programming Language :: Python :: 3.10 Programming Language :: Python :: 3.11 Programming Language :: Python :: 3.12 Programming Language :: Python :: 3.13 Programming Language :: Python :: 3.9 Topic :: Scientific/Engineering :: Physics

版本列表

2.7.0 2025-12-29

2.6.0 2025-03-10

2.5.0 2024-07-11

2.4.0 2024-04-11

2.3.1 2024-02-11

2.3.0 2024-01-27

2.2.0 2023-12-08

2.1.0 2023-09-10

2.0.2 2022-11-06

2.0.1 2022-08-31

2.0.0 2022-08-17

1.16.5 2022-05-06

1.16.4 2022-05-05

1.16.3 2021-12-08

1.16.2 2021-08-10

1.16.1 2021-01-29

1.16.0 2020-07-30

1.15.1 2020-04-28

1.15.0 2020-04-18

1.14.1.post0 2019-07-30

1.14.0.post23 2019-07-30

1.14.0.post0 2019-07-30

1.13.0.post6 2019-07-02

1.13.0.post5 2019-07-02

1.13.0.post4 2019-07-02

1.13.0.post3 2019-07-02

1.13.0.post2 2019-07-02

1.13.0.post1 2019-07-02

1.13.0.post0 2019-07-02

1.12.2.post0 2019-02-06

1.12.1.post7 2019-02-01

1.12.1.post0 2019-01-30

1.12.0.post5 2019-01-29

1.12.0.post3 2019-01-29

1.11.2.post1 2018-12-07

1.11.2.post0 2018-12-07

1.11.1.post3 2018-11-12

1.11.0.post19 2018-11-08

1.11.0.post18 2018-11-08

1.10.4.11 2018-08-10

1.10.4.7 2018-08-07

1.10.4.1 2018-08-01

1.10.4 2018-08-01

1.10.3.75 2018-07-14

1.10.3.65 2018-04-20

1.10.3.62 2018-04-19

1.10.3.56 2018-04-18

1.10.3.54 2018-04-16

1.10.3.52 2018-04-16

1.10.3.50 2018-03-29

1.10.3.43 2018-03-21

1.10.3.41 2018-03-21

1.10.3.39 2018-02-23

1.10.3.33 2018-02-23

1.10.3.23 2018-02-22

1.10.3.20 2018-02-22

1.10.3.14 2018-01-29

1.10.3.12 2018-01-29

1.10.3.5 2018-01-18

1.10.3 2018-01-13

1.10.2.4 2017-12-13

1.10.2 2017-12-13

1.10.1.4 2017-11-07

1.10.1 2017-10-27

1.10.0.2 2017-10-22

1.10.0.1 2017-10-22

1.10.0 2017-10-22

1.9.10.1 2017-10-02

1.9.10 2017-10-02

1.9.9.121 2017-09-28

1.9.9.116 2017-09-22

1.9.9.44 2017-05-15

1.9.9.38 2017-03-25

1.9.9.29 2017-03-19

1.9.9.25 2017-03-16

1.9.9.18 2016-12-20

1.9.9.15 2016-12-19

1.9.9.11 2016-12-15

1.9.9.5 2016-12-15

1.9.9 2016-12-14

1.9.8.20 2016-11-25

1.9.8.15 2016-11-07

1.9.8.11 2016-11-03

1.9.8.9 2016-11-03

1.9.8.7 2016-11-02

1.9.8 2016-11-01

1.9.7.17 2016-10-29

1.9.7.9 2016-10-24

1.9.7.1 2016-10-19

1.9.7 2016-10-19

1.9.6 2016-10-17

1.9.5 2016-09-15

1.9.4.4 2016-07-28

1.9.4.3 2016-07-28

1.9.4.2 2016-05-13

1.9.3.4 2016-05-12

1.9.3.1 2016-05-11

1.9.3 2016-05-11

1.9.2.13 2016-05-11

1.9.0.54 2016-03-07

1.9.0.53 2016-03-07

1.9.0.52 2016-03-06

1.9.0.5 2015-12-22

1.8.3

1.6.0.3 2014-05-20

1.6.0.2 2014-05-20

1.6.0.1 2014-05-20

1.6.0 2014-05-20