How To Install python3-qcelemental on Fedora 36
In this tutorial we learn how to install python3-qcelemental in Fedora 36. python3-qcelemental is Periodic table, physical constants, and molecule parsing for quantum chemistry
Introduction
In this tutorial we learn how to install python3-qcelemental on Fedora 36.
What is python3-qcelemental
QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers. Periodic Table and Physical Constants data are pulled from NIST srd144 and srd121, respectively (details) in a renewable manner (class around NIST-published JSON file). This project also contains a generator, validator, and translator for Molecule QCSchema.
We can use yum or dnf to install python3-qcelemental on Fedora 36. In this tutorial we discuss both methods but you only need to choose one of method to install python3-qcelemental.
Install python3-qcelemental on Fedora 36 Using dnf
Update yum database with dnf using the following command.
sudo dnf makecache --refresh
After updating yum database, We can install python3-qcelemental using dnf by running the following command:
sudo dnf -y install python3-qcelemental
Install python3-qcelemental on Fedora 36 Using yum
Update yum database with yum using the following command.
sudo yum makecache --refresh
After updating yum database, We can install python3-qcelemental using yum by running the following command:
sudo yum -y install python3-qcelemental
How To Uninstall python3-qcelemental on Fedora 36
To uninstall only the python3-qcelemental package we can use the following command:
sudo dnf remove python3-qcelemental
python3-qcelemental Package Contents on Fedora 36
/usr/lib/python3.10/site-packages/qcelemental
/usr/lib/python3.10/site-packages/qcelemental-0.12.0-py3.10.egg-info
/usr/lib/python3.10/site-packages/qcelemental-0.12.0-py3.10.egg-info/PKG-INFO
/usr/lib/python3.10/site-packages/qcelemental-0.12.0-py3.10.egg-info/SOURCES.txt
/usr/lib/python3.10/site-packages/qcelemental-0.12.0-py3.10.egg-info/dependency_links.txt
/usr/lib/python3.10/site-packages/qcelemental-0.12.0-py3.10.egg-info/not-zip-safe
/usr/lib/python3.10/site-packages/qcelemental-0.12.0-py3.10.egg-info/requires.txt
/usr/lib/python3.10/site-packages/qcelemental-0.12.0-py3.10.egg-info/top_level.txt
/usr/lib/python3.10/site-packages/qcelemental/__init__.py
/usr/lib/python3.10/site-packages/qcelemental/__pycache__
/usr/lib/python3.10/site-packages/qcelemental/__pycache__/__init__.cpython-310.opt-1.pyc
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/usr/lib/python3.10/site-packages/qcelemental/_version.py
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/usr/lib/python3.10/site-packages/qcelemental/data
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/usr/lib/python3.10/site-packages/qcelemental/data/nist_2014_codata.py
/usr/lib/python3.10/site-packages/qcelemental/datum.py
/usr/lib/python3.10/site-packages/qcelemental/exceptions.py
/usr/lib/python3.10/site-packages/qcelemental/extras.py
/usr/lib/python3.10/site-packages/qcelemental/models
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/usr/lib/python3.10/site-packages/qcelemental/models/types.py
/usr/lib/python3.10/site-packages/qcelemental/molparse
/usr/lib/python3.10/site-packages/qcelemental/molparse/__init__.py
/usr/lib/python3.10/site-packages/qcelemental/molparse/__pycache__
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/usr/lib/python3.10/site-packages/qcelemental/molparse/from_arrays.py
/usr/lib/python3.10/site-packages/qcelemental/molparse/from_schema.py
/usr/lib/python3.10/site-packages/qcelemental/molparse/from_string.py
/usr/lib/python3.10/site-packages/qcelemental/molparse/nucleus.py
/usr/lib/python3.10/site-packages/qcelemental/molparse/pubchem.py
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/usr/lib/python3.10/site-packages/qcelemental/molparse/to_schema.py
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/usr/lib/python3.10/site-packages/qcelemental/molutil
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/usr/lib/python3.10/site-packages/qcelemental/periodic_table.py
/usr/lib/python3.10/site-packages/qcelemental/physical_constants
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/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/__init__.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/autodocs.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/autodocs.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/gph_uno_bipartite.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/gph_uno_bipartite.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/importing.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/importing.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/internal.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/internal.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/itertools.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/itertools.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/misc.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/misc.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/np_blockwise.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/np_blockwise.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/np_rand3drot.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/np_rand3drot.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/scipy_hungarian.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/scipy_hungarian.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/serialization.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/serialization.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/test_gph_uno_bipartite.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/test_gph_uno_bipartite.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/test_scipy_hungarian.cpython-310.opt-1.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/__pycache__/test_scipy_hungarian.cpython-310.pyc
/usr/lib/python3.10/site-packages/qcelemental/util/autodocs.py
/usr/lib/python3.10/site-packages/qcelemental/util/gph_uno_bipartite.py
/usr/lib/python3.10/site-packages/qcelemental/util/importing.py
/usr/lib/python3.10/site-packages/qcelemental/util/internal.py
/usr/lib/python3.10/site-packages/qcelemental/util/itertools.py
/usr/lib/python3.10/site-packages/qcelemental/util/misc.py
/usr/lib/python3.10/site-packages/qcelemental/util/np_blockwise.py
/usr/lib/python3.10/site-packages/qcelemental/util/np_rand3drot.py
/usr/lib/python3.10/site-packages/qcelemental/util/scipy_hungarian.py
/usr/lib/python3.10/site-packages/qcelemental/util/serialization.py
/usr/lib/python3.10/site-packages/qcelemental/util/test_gph_uno_bipartite.py
/usr/lib/python3.10/site-packages/qcelemental/util/test_scipy_hungarian.py
/usr/lib/python3.10/site-packages/qcelemental/vanderwaals_radii.py
/usr/share/doc/python3-qcelemental
/usr/share/doc/python3-qcelemental/README.md
/usr/share/licenses/python3-qcelemental
/usr/share/licenses/python3-qcelemental/LICENSE
References
Summary
In this tutorial we learn how to install python3-qcelemental on Fedora 36 using yum and [dnf]((/fedora/36/dnf/).
