Thu, 16 May 2024 06:01:44 UTC | login

Information for RPM python3-cclib-1.7.1-7.20220618git8e6892a5.fc40.noarch.rpm

ID1217578
Namepython3-cclib
Version1.7.1
Release7.20220618git8e6892a5.fc40
Epoch
Archnoarch
SummaryParsers for output files of computational chemistry packages
Description 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.
Build Time2024-01-26 02:28:02 GMT
Size576.97 KB
e127a8c87ecaf7fbf081b0b9c0a2cc66
LicenseBSD and LGPLv2+
Provides
python-cclib = 1.7.1-7.20220618git8e6892a5.fc40
python3-cclib = 1.7.1-7.20220618git8e6892a5.fc40
python3.12-cclib = 1.7.1-7.20220618git8e6892a5.fc40
python3.12dist(cclib) = 1.7.1
python3dist(cclib) = 1.7.1
Obsoletes No Obsoletes
Conflicts No Conflicts
Requires
/usr/bin/python3
python(abi) = 3.12
python3.12dist(numpy)
python3.12dist(packaging) >= 19
python3.12dist(periodictable)
python3.12dist(scipy) >= 1.2
rpmlib(CompressedFileNames) <= 3.0.4-1
rpmlib(FileDigests) <= 4.6.0-1
rpmlib(PartialHardlinkSets) <= 4.0.4-1
rpmlib(PayloadFilesHavePrefix) <= 4.0-1
rpmlib(PayloadIsZstd) <= 5.4.18-1
Recommends No Recommends
Suggests No Suggests
Supplements No Supplements
Enhances No Enhances
Files
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/usr/bin/ccframe952.00 B
/usr/bin/ccget948.00 B
/usr/bin/ccwrite952.00 B
/usr/bin/cda944.00 B
/usr/lib/python3.12/site-packages/cclib0.00 B
/usr/lib/python3.12/site-packages/cclib-1.7.1-py3.12.egg-info0.00 B
/usr/lib/python3.12/site-packages/cclib-1.7.1-py3.12.egg-info/PKG-INFO1.13 KB
/usr/lib/python3.12/site-packages/cclib-1.7.1-py3.12.egg-info/SOURCES.txt2.04 KB
/usr/lib/python3.12/site-packages/cclib-1.7.1-py3.12.egg-info/dependency_links.txt1.00 B
/usr/lib/python3.12/site-packages/cclib-1.7.1-py3.12.egg-info/entry_points.txt155.00 B
/usr/lib/python3.12/site-packages/cclib-1.7.1-py3.12.egg-info/requires.txt49.00 B
/usr/lib/python3.12/site-packages/cclib-1.7.1-py3.12.egg-info/top_level.txt6.00 B
/usr/lib/python3.12/site-packages/cclib/__init__.py1.67 KB
/usr/lib/python3.12/site-packages/cclib/__pycache__0.00 B
/usr/lib/python3.12/site-packages/cclib/__pycache__/__init__.cpython-312.opt-1.pyc1.49 KB
/usr/lib/python3.12/site-packages/cclib/__pycache__/__init__.cpython-312.pyc1.49 KB
/usr/lib/python3.12/site-packages/cclib/bridge0.00 B
/usr/lib/python3.12/site-packages/cclib/bridge/__init__.py917.00 B
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__0.00 B
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/__init__.cpython-312.opt-1.pyc982.00 B
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/__init__.cpython-312.pyc982.00 B
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2ase.cpython-312.opt-1.pyc9.66 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2ase.cpython-312.pyc9.66 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2biopython.cpython-312.opt-1.pyc1.18 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2biopython.cpython-312.pyc1.18 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2horton.cpython-312.opt-1.pyc4.57 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2horton.cpython-312.pyc4.57 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2openbabel.cpython-312.opt-1.pyc3.53 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2openbabel.cpython-312.pyc3.53 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2psi4.cpython-312.opt-1.pyc1.01 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2psi4.cpython-312.pyc1.01 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2pyquante.cpython-312.opt-1.pyc1.85 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2pyquante.cpython-312.pyc1.85 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2pyscf.cpython-312.opt-1.pyc5.87 KB
/usr/lib/python3.12/site-packages/cclib/bridge/__pycache__/cclib2pyscf.cpython-312.pyc5.87 KB
/usr/lib/python3.12/site-packages/cclib/bridge/cclib2ase.py8.67 KB
/usr/lib/python3.12/site-packages/cclib/bridge/cclib2biopython.py1007.00 B
/usr/lib/python3.12/site-packages/cclib/bridge/cclib2horton.py4.92 KB
/usr/lib/python3.12/site-packages/cclib/bridge/cclib2openbabel.py2.73 KB
/usr/lib/python3.12/site-packages/cclib/bridge/cclib2psi4.py905.00 B
/usr/lib/python3.12/site-packages/cclib/bridge/cclib2pyquante.py1.49 KB
/usr/lib/python3.12/site-packages/cclib/bridge/cclib2pyscf.py4.17 KB
/usr/lib/python3.12/site-packages/cclib/io0.00 B
/usr/lib/python3.12/site-packages/cclib/io/__init__.py955.00 B
/usr/lib/python3.12/site-packages/cclib/io/__pycache__0.00 B
/usr/lib/python3.12/site-packages/cclib/io/__pycache__/__init__.cpython-312.opt-1.pyc778.00 B
/usr/lib/python3.12/site-packages/cclib/io/__pycache__/__init__.cpython-312.pyc778.00 B
/usr/lib/python3.12/site-packages/cclib/io/__pycache__/ccio.cpython-312.opt-1.pyc18.12 KB
/usr/lib/python3.12/site-packages/cclib/io/__pycache__/ccio.cpython-312.pyc18.12 KB
/usr/lib/python3.12/site-packages/cclib/io/__pycache__/cjsonreader.cpython-312.opt-1.pyc2.28 KB
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