dftd3

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0.7.0 dftd3-0.7.0-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
dftd3-0.7.0-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
dftd3-0.7.0-cp37-cp37m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
dftd3-0.7.0-cp311-cp311-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
dftd3-0.7.0-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl

Wheel Details

Project: dftd3
Version: 0.7.0
Filename: dftd3-0.7.0-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Download: [link]
Size: 3034566
MD5: cc59f43ccd0114bc0797f46124c6a17c
SHA256: e2cc723348bc4f43dcb71eb60386bf20044001ba58fe6ad1ac62348f6daaf453
Uploaded: 2022-11-06 09:51:22 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: dftd3
Version: 0.7.0
Summary: Python API of the DFT-D3 project
Project-Url: Repository, https://github.com/dftd3/simple-dftd3
Project-Url: Documentation, https://dftd3.readthedocs.io
License: LGPL-3.0-or-later
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Fortran
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.7
Requires-Dist: cffi
Requires-Dist: numpy
Requires-Dist: ase; extra == "ase"
Requires-Dist: qcelemental; extra == "qcschema"
Requires-Dist: pyscf; extra == "pyscf"
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Provides-Extra: ase
Provides-Extra: qcschema
Provides-Extra: pyscf
Provides-Extra: test
Description-Content-Type: text/x-rst
[Description omitted; length: 11921 characters]

WHEEL

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Generator: meson
Root-Is-Purelib: false
Tag: cp39-cp39-manylinux_2_12_x86_64
Tag: cp39-cp39-manylinux2010_x86_64

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