ASE-compatible Python bindings for the QUIP and GAP codes

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for jameskermode from gravatar.com jameskermode

Unverified details

These details have not been verified by PyPI
Meta
  • Requires: Python >=3.9
  • Provides-Extra: dev
Report project as malware

Project description

# HQ XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
# HQ X
# HQ X   quippy: Python interface to QUIP atomistic simulation library
# HQ X
# HQ X   Portions of this code were written by
# HQ X     Tamas K. Stenczel, James Kermode
# HQ X
# HQ X   Copyright 2019
# HQ X
# HQ X   These portions of the source code are released under the GNU General
# HQ X   Public License, version 2, http://www.gnu.org/copyleft/gpl.html
# HQ X
# HQ X   If you would like to license the source code under different terms,
# HQ X   please contact James Kermode, james.kermode@gmail.com
# HQ X
# HQ X   When using this software, please cite the following reference:
# HQ X
# HQ X   https://warwick.ac.uk/fac/sci/eng/staff/jrk
# HQ X
# HQ XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

The aim of quippy is to make all the functions, subroutines and types
defined in QUIP available from Python scripts.

Quick-start:
 # First, build the main QUIP libraries
 $ cd ${QUIP_ROOT}
 $ meson setup builddir
 $ meson compile -C builddir

 # Then build and install quippy
 $ cd quippy
 $ meson setup builddir
 $ meson compile -C builddir
 $ meson install -C builddir

Alternatively, you can install quippy directly with pip:
 $ cd quippy
 $ pip install .

For more details, see documentation in doc/ subdirectory, which is in
reStructuredText format.

The documentation is available online at http://libatoms.github.io/QUIP/

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for jameskermode from gravatar.com jameskermode

Unverified details

These details have not been verified by PyPI
Meta
  • Requires: Python >=3.9
  • Provides-Extra: dev

Release history Release notifications | RSS feed

This version

0.10.3

0.10.2

0.10.1

0.10.0 yanked

Reason this release was yanked:

wheel building errors, do not use, wait for 0.10.1

0.9.14

0.9.13

0.9.12

0.9.11

0.9.10

0.9.9

0.9.8

0.9.7

0.9.6

0.9.5

0.9.4

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distributions

No source distribution files available for this release.See tutorial on generating distribution archives.

Built Distributions

If you're not sure about the file name format, learn more about wheel file names.

quippy_ase-0.10.3-cp313-cp313-manylinux_2_28_x86_64.whl (19.3 MB view details)

Uploaded CPython 3.13manylinux: glibc 2.28+ x86-64

quippy_ase-0.10.3-cp313-cp313-macosx_15_0_x86_64.whl (17.5 MB view details)

Uploaded CPython 3.13macOS 15.0+ x86-64

quippy_ase-0.10.3-cp313-cp313-macosx_14_0_arm64.whl (14.7 MB view details)

Uploaded CPython 3.13macOS 14.0+ ARM64

quippy_ase-0.10.3-cp312-cp312-manylinux_2_28_x86_64.whl (19.3 MB view details)

Uploaded CPython 3.12manylinux: glibc 2.28+ x86-64

quippy_ase-0.10.3-cp312-cp312-macosx_15_0_x86_64.whl (17.5 MB view details)

Uploaded CPython 3.12macOS 15.0+ x86-64

quippy_ase-0.10.3-cp312-cp312-macosx_14_0_arm64.whl (14.7 MB view details)

Uploaded CPython 3.12macOS 14.0+ ARM64

quippy_ase-0.10.3-cp311-cp311-manylinux_2_28_x86_64.whl (19.3 MB view details)

Uploaded CPython 3.11manylinux: glibc 2.28+ x86-64

quippy_ase-0.10.3-cp311-cp311-macosx_15_0_x86_64.whl (17.5 MB view details)

Uploaded CPython 3.11macOS 15.0+ x86-64

quippy_ase-0.10.3-cp311-cp311-macosx_14_0_arm64.whl (14.7 MB view details)

Uploaded CPython 3.11macOS 14.0+ ARM64

quippy_ase-0.10.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (18.4 MB view details)

Uploaded CPython 3.10manylinux: glibc 2.17+ x86-64

quippy_ase-0.10.3-cp310-cp310-macosx_15_0_x86_64.whl (17.4 MB view details)

Uploaded CPython 3.10macOS 15.0+ x86-64

quippy_ase-0.10.3-cp310-cp310-macosx_14_0_arm64.whl (14.7 MB view details)

Uploaded CPython 3.10macOS 14.0+ ARM64

quippy_ase-0.10.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (18.4 MB view details)

Uploaded CPython 3.9manylinux: glibc 2.17+ x86-64

quippy_ase-0.10.3-cp39-cp39-macosx_15_0_x86_64.whl (17.4 MB view details)

Uploaded CPython 3.9macOS 15.0+ x86-64

quippy_ase-0.10.3-cp39-cp39-macosx_14_0_arm64.whl (14.7 MB view details)

Uploaded CPython 3.9macOS 14.0+ ARM64

File details

Details for the file quippy_ase-0.10.3-cp313-cp313-manylinux_2_28_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp313-cp313-manylinux_2_28_x86_64.whl
Algorithm Hash digest
SHA256 fcb8eeee2d3e981ac30b125953b06f2009d6abb223c3bfa9a3b4fad158aea452
MD5 3cdde63d248427ee75ad6155f8740aa0
BLAKE2b-256 0d779603a003c64500840c80cc4a06eb4749b284994898ab4b8328a7a0cea6f7

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp313-cp313-macosx_15_0_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp313-cp313-macosx_15_0_x86_64.whl
Algorithm Hash digest
SHA256 7b021f93436d2f786988718ec355f44f567978d0eda390402047a146f80566a5
MD5 12ec3fb72814aa6e11d2b3dfacb3bebb
BLAKE2b-256 0f72415afec023ce3d1478f28ccfa0f252a55d4dc3e4ea5d856b5a8995c7ba0e

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp313-cp313-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp313-cp313-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 b9603e78ad4104f4303c43d007eda483e868f2abff284a63971ed24b4973a9c8
MD5 800f5a9c5532aabc7b99eb10d1a84486
BLAKE2b-256 927e045d883c2695d4a0b21b9fd5dfb28a390ebf4aff2f2cdd670c9a6cab7b6e

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp312-cp312-manylinux_2_28_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp312-cp312-manylinux_2_28_x86_64.whl
Algorithm Hash digest
SHA256 9962c6a733667fb87f912cae4cc7a76cc2cb1821c4ef3e7636beea61b07f9fc0
MD5 3669df664d2ce20d25a44220bd994a7b
BLAKE2b-256 948fc73d8ab57c60df7b63df13f50d2df332734878b0485057cb84e00831e32c

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp312-cp312-macosx_15_0_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp312-cp312-macosx_15_0_x86_64.whl
Algorithm Hash digest
SHA256 7905bd5917fffda773c18c1d7a66c755282d965bd4a32165480649d788315be1
MD5 4006f62b7f18e2693535bc60b9bfb685
BLAKE2b-256 419f4e1c334cd06e58bb4b4512dc16c5052e53404085fbde82e69b093946ec94

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp312-cp312-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp312-cp312-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 a0f534c937b3279887a5b44a05a783dbd86cc7ab08dbfd056ca9a159ce731fd9
MD5 b7a3717c6bd0b04d1c2d9c2f4b09dc36
BLAKE2b-256 46c7e9d0567de8a2ebb0e5cc845dc9f839a2b28fe2906be60de1ad2119697cab

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp311-cp311-manylinux_2_28_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp311-cp311-manylinux_2_28_x86_64.whl
Algorithm Hash digest
SHA256 889b53d0bca6f3b81b48b527dbf887c641a2f1800c6c4fe72021f48822413f4b
MD5 854894729f50552ab12cd54cc9e94c05
BLAKE2b-256 af46500c5571eeeb5f7f8a9d9437c125aa5af99613335aa30d34da7c23003bc7

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp311-cp311-macosx_15_0_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp311-cp311-macosx_15_0_x86_64.whl
Algorithm Hash digest
SHA256 74a21e5f4a7bfdccffdb52a7cb1ad5d8bfb81346f18d0a3a7ee75a79f2403315
MD5 9a6082f640e2cf8217f3de2e9d47e036
BLAKE2b-256 0be4417e1d9d1c228b5db60d4f38aaedb74badc69b5d9b1f0075824942ecc417

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp311-cp311-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp311-cp311-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 9bde2c3499f4526dca925d9e0cb8a7ecbb9bdbbfd31a388642e9fb47b4c0ae86
MD5 da673dd135d11bef92bf61861afec75b
BLAKE2b-256 811d966c83d4e2c7c3f6700b3bd22b3e162d9b4c0b2428891f4b2d52cb5ace79

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 7034a979c41fc4fea916a2ba09d259b4a6d757505ecd0af363c5ded32f1b4fea
MD5 088bc3eaf6237cd5893eb9b4d2a91509
BLAKE2b-256 36c2c5e89c68d0b4121671894407fea13fd30a9ac2e0dcc745c441787a40912a

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp310-cp310-macosx_15_0_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp310-cp310-macosx_15_0_x86_64.whl
Algorithm Hash digest
SHA256 680fb30278e10a71bda75b69495cfee6d68374e7bcb05632645a581736739407
MD5 238b8c3c855f55fe478ef5cb764ab119
BLAKE2b-256 3172da096f38e05098a3a454376ef122cb68168ce77ecca57f15e94289474b02

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp310-cp310-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp310-cp310-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 b3abfe24ebe03eaece94b4ea56c184f8f67282698157bceb1e391d1929074518
MD5 4dfd8ea077c95c1d0cdef988fd749464
BLAKE2b-256 9bb101e59f68ee70f1f1baa9bbf6594ad6ec7fdecd68f99038fc7625acc55854

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 77dbda5b58ac54332ebcdafe8b0bb1b23596f62f71243b27abaea38d0e8c7cea
MD5 3c6ff568a6da3d735f0c52b361e383dc
BLAKE2b-256 ca75ad255142d3ba8fa9b662a6feaf2407cdb2d72e502f5ee69057ea5abfba46

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp39-cp39-macosx_15_0_x86_64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp39-cp39-macosx_15_0_x86_64.whl
Algorithm Hash digest
SHA256 9a6994a27ebf1403aec3f880470b3447b326c8b6dfba08596ecb640265cd7bc5
MD5 d7a95f7195465d6e7f5a62492db6d014
BLAKE2b-256 307fdd1314181bdaf61f22802be081a0edfe97004a7f90805a78b6d04b471b7e

See more details on using hashes here.

File details

Details for the file quippy_ase-0.10.3-cp39-cp39-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for quippy_ase-0.10.3-cp39-cp39-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 23ebc5de500b2fc8022194c89e7a4aa01065a60afa0d95d915380eb069d2c5c3
MD5 c076b1bbe1b302491768ea83250040df
BLAKE2b-256 287e205690d995d27a45557cfbd63c972724cee799623098a987945838516635

See more details on using hashes here.

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Pingdom Monitoring Sentry Error logging StatusPage Status page