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python3-cclib-1.7.1-3.20220618git8e6892a5.fc38.noarch.rpm

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توضیحات

Parsers for output files of computational chemistry packages
ویژگی مقدار
سیستم عامل Linux
توزیع Fedora 38
مخزن Fedora Everything noarch
نام بسته python3-cclib
نام فایل بسته python3-cclib-1.7.1-3.20220618git8e6892a5.fc38.noarch.rpm
نسخه بسته 1.7.1
انتشار بسته 3.20220618git8e6892a5.fc38
معماری بسته noarch
نگهدارنده -
تاریخ ساخت Fri 20 Jan 2023 03
هاست سازنده buildhw-a64-22.iad2.fedoraproject.org
نوع بسته .rpm
آدرس صفحه اصلی https://cclib.github.io/
مجوز BSD and LGPLv2+
حجم دانلود 629K
حجم نصب 3.154M
cclib is a Python library that provides parsers for output files of computational chemistry packages. It also provides a platform for computational chemists to implement algorithms in a platform-independent way. The goals of cclib are centered around the reuse of data obtained from these programs and contained in output files, specifically: - extract (parse) data from the output files generated by multiple programs - provide a consistent interface to the results of computational chemistry calculations, particularly those results that are useful for algorithms or visualization - facilitate the implementation of algorithms that are not specific to a particular computational chemistry package - to maximize interoperability with other open source computational chemistry and cheminformatic software libraries.


نیازمندی

مقدار نام
- /usr/bin/python3
= 3.11 python(abi)
- python3.11dist(numpy)
>= 19 python3.11dist(packaging)
- python3.11dist(periodictable)
>= 1.2 python3.11dist(scipy)


ارائه دهنده

مقدار نام
= 1.7.1-3.20220618git8e6892a5.fc38 python-cclib
= 1.7.1-3.20220618git8e6892a5.fc38 python3-cclib
= 1.7.1-3.20220618git8e6892a5.fc38 python3.11-cclib
= 1.7.1 python3.11dist(cclib)
= 1.7.1 python3dist(cclib)


نحوه نصب


نصب پکیج rpm python3-cclib:

    dnf install python3-cclib-1.7.1-3.20220618git8e6892a5.fc38.noarch.rpm


فایل ها

مسیرها
/usr/bin/ccframe
/usr/bin/ccget
/usr/bin/ccwrite
/usr/bin/cda
/usr/lib/python3.11/site-packages/cclib
/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info
/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info/PKG-INFO
/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info/SOURCES.txt
/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info/dependency_links.txt
/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info/entry_points.txt
/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info/requires.txt
/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info/top_level.txt
/usr/lib/python3.11/site-packages/cclib/__init__.py
/usr/lib/python3.11/site-packages/cclib/__pycache__
/usr/lib/python3.11/site-packages/cclib/__pycache__/__init__.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/__pycache__/__init__.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge
/usr/lib/python3.11/site-packages/cclib/bridge/__init__.py
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/__init__.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/__init__.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2ase.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2ase.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2biopython.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2biopython.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2horton.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2horton.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2openbabel.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2openbabel.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2psi4.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2psi4.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2pyquante.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2pyquante.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2pyscf.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/__pycache__/cclib2pyscf.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/bridge/cclib2ase.py
/usr/lib/python3.11/site-packages/cclib/bridge/cclib2biopython.py
/usr/lib/python3.11/site-packages/cclib/bridge/cclib2horton.py
/usr/lib/python3.11/site-packages/cclib/bridge/cclib2openbabel.py
/usr/lib/python3.11/site-packages/cclib/bridge/cclib2psi4.py
/usr/lib/python3.11/site-packages/cclib/bridge/cclib2pyquante.py
/usr/lib/python3.11/site-packages/cclib/bridge/cclib2pyscf.py
/usr/lib/python3.11/site-packages/cclib/io
/usr/lib/python3.11/site-packages/cclib/io/__init__.py
/usr/lib/python3.11/site-packages/cclib/io/__pycache__
/usr/lib/python3.11/site-packages/cclib/io/__pycache__/__init__.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/io/__pycache__/__init__.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/io/__pycache__/ccio.cpython-311.opt-1.pyc
/usr/lib/python3.11/site-packages/cclib/io/__pycache__/ccio.cpython-311.pyc
/usr/lib/python3.11/site-packages/cclib/io/__pycache__/cjsonreader.cpython-311.opt-1.pyc
... and 188 more


گزارش تغییرات

تاریخ آخرین تغییر جزئیات
2023-01-20

Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild

2022-07-22

Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild

2022-06-22

Post-release 1.7.1 (commit #8e6892a5)

2022-06-15

Rebuilt for Python 3.11

2022-01-21

Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild

2021-07-23

Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild

2021-06-04

Rebuilt for Python 3.10

2021-01-30

Release 1.7

2021-01-27

Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild