How To Install psi4 on Fedora 34
psi4 is An ab initio quantum chemistry package An ab initio quantum chemistry package
Introduction
In this tutorial we learn how to install psi4 on Fedora 34.
What is psi4
PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties. We can routinely perform computations with more than 2500 basis functions running serially or in parallel. psi4 1 1.3.2 10.fc34 x86_64 7.2 M psi4-1.3.2-10.fc34.src.rpm fedora An ab initio quantum chemistry package http LGPLv3 and MIT PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties. We can routinely perform computations with more than 2500 basis functions running serially or in parallel.
We can use yum or dnf to install psi4 on Fedora 34. In this tutorial we discuss both methods but you only need to choose one of method to install psi4.
Install psi4 on Fedora 34 Using dnf
Update yum database with dnf using the following command.
sudo dnf makecache --refresh
The output should look something like this:
Fedora 34 - x86_64 20 kB/s | 6.6 kB 00:00
Fedora 34 openh264 (From Cisco) - x86_64 1.4 kB/s | 989 B 00:00
Fedora Modular 34 - x86_64 68 kB/s | 6.5 kB 00:00
Fedora 34 - x86_64 - Updates 3.5 kB/s | 6.2 kB 00:01
Fedora Modular 34 - x86_64 - Updates 17 kB/s | 5.9 kB 00:00
Metadata cache created.
After updating yum database, We can install psi4 using dnf by running the following command:
sudo dnf -y install psi4
Install psi4 on Fedora 34 Using yum
Update yum database with yum using the following command.
sudo yum makecache --refresh
The output should look something like this:
Fedora 34 - x86_64 20 kB/s | 6.6 kB 00:00
Fedora 34 openh264 (From Cisco) - x86_64 1.4 kB/s | 989 B 00:00
Fedora Modular 34 - x86_64 68 kB/s | 6.5 kB 00:00
Fedora 34 - x86_64 - Updates 3.5 kB/s | 6.2 kB 00:01
Fedora Modular 34 - x86_64 - Updates 17 kB/s | 5.9 kB 00:00
Metadata cache created.
After updating yum database, We can install psi4 using yum by running the following command:
sudo yum -y install psi4
How To Uninstall psi4 on Fedora 34
To uninstall only the psi4 package we can use the following command:
sudo dnf remove psi4
psi4 Package Contents on Fedora 34
/usr/bin/psi4
/usr/lib/.build-id
/usr/lib/.build-id/57
/usr/lib/.build-id/57/5c7748fcb71e7010c6f90023364998d3446852
/usr/lib64/python3.9/site-packages/psi4
/usr/lib64/python3.9/site-packages/psi4/__init__.py
/usr/lib64/python3.9/site-packages/psi4/__pycache__
/usr/lib64/python3.9/site-packages/psi4/__pycache__/__init__.cpython-39.opt-1.pyc
/usr/lib64/python3.9/site-packages/psi4/__pycache__/__init__.cpython-39.pyc
/usr/lib64/python3.9/site-packages/psi4/__pycache__/extras.cpython-39.opt-1.pyc
/usr/lib64/python3.9/site-packages/psi4/__pycache__/extras.cpython-39.pyc
/usr/lib64/python3.9/site-packages/psi4/__pycache__/header.cpython-39.opt-1.pyc
/usr/lib64/python3.9/site-packages/psi4/__pycache__/header.cpython-39.pyc
/usr/lib64/python3.9/site-packages/psi4/__pycache__/metadata.cpython-39.opt-1.pyc
/usr/lib64/python3.9/site-packages/psi4/__pycache__/metadata.cpython-39.pyc
/usr/lib64/python3.9/site-packages/psi4/core.cpython-39-x86_64-linux-gnu.so
/usr/lib64/python3.9/site-packages/psi4/driver
/usr/lib64/python3.9/site-packages/psi4/driver/__init__.py
/usr/lib64/python3.9/site-packages/psi4/driver/__pycache__
/usr/lib64/python3.9/site-packages/psi4/driver/__pycache__/__init__.cpython-39.opt-1.pyc
/usr/lib64/python3.9/site-packages/psi4/driver/__pycache__/__init__.cpython-39.pyc
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/usr/lib64/python3.9/site-packages/psi4/driver/__pycache__/aliases.cpython-39.pyc
/usr/lib64/python3.9/site-packages/psi4/driver/__pycache__/dependency_check.cpython-39.opt-1.pyc
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/usr/lib64/python3.9/site-packages/psi4/driver/diatomic.py
/usr/lib64/python3.9/site-packages/psi4/driver/driver.py
/usr/lib64/python3.9/site-packages/psi4/driver/driver_cbs.py
/usr/lib64/python3.9/site-packages/psi4/driver/driver_findif.py
/usr/lib64/python3.9/site-packages/psi4/driver/driver_nbody.py
/usr/lib64/python3.9/site-packages/psi4/driver/driver_nbody_helper.py
/usr/lib64/python3.9/site-packages/psi4/driver/driver_util.py
/usr/lib64/python3.9/site-packages/psi4/driver/endorsed_plugins.py
/usr/lib64/python3.9/site-packages/psi4/driver/frac.py
/usr/lib64/python3.9/site-packages/psi4/driver/gaussian_n.py
/usr/lib64/python3.9/site-packages/psi4/driver/inputparser.py
/usr/lib64/python3.9/site-packages/psi4/driver/json_wrapper.py
/usr/lib64/python3.9/site-packages/psi4/driver/molutil.py
/usr/lib64/python3.9/site-packages/psi4/driver/p4util
/usr/lib64/python3.9/site-packages/psi4/driver/p4util/__init__.py
/usr/lib64/python3.9/site-packages/psi4/driver/p4util/__pycache__
/usr/lib64/python3.9/site-packages/psi4/driver/p4util/__pycache__/__init__.cpython-39.opt-1.pyc
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/usr/lib64/python3.9/site-packages/psi4/driver/p4util/__pycache__/exceptions.cpython-39.pyc
/usr/lib64/python3.9/site-packages/psi4/driver/p4util/__pycache__/fcidump.cpython-39.opt-1.pyc
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/usr/lib64/python3.9/site-packages/psi4/driver/p4util/__pycache__/inpsight.cpython-39.opt-1.pyc
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/usr/lib64/python3.9/site-packages/psi4/driver/p4util/procutil.py
/usr/lib64/python3.9/site-packages/psi4/driver/p4util/python_helpers.py
/usr/lib64/python3.9/site-packages/psi4/driver/p4util/solvers.py
/usr/lib64/python3.9/site-packages/psi4/driver/p4util/text.py
/usr/lib64/python3.9/site-packages/psi4/driver/p4util/util.py
/usr/lib64/python3.9/site-packages/psi4/driver/plugin.py
/usr/lib64/python3.9/site-packages/psi4/driver/procrouting
/usr/lib64/python3.9/site-packages/psi4/driver/procrouting/__init__.py
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/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_solvers.cpython-39.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_tdscf_excitations.cpython-39.opt-1.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_tdscf_excitations.cpython-39.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_tdscf_products.cpython-39.opt-1.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_tdscf_products.cpython-39.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_vector.cpython-39.opt-1.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_vector.cpython-39.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_vibanalysis.cpython-39.opt-1.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/test_vibanalysis.cpython-39.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/utils.cpython-39.opt-1.pyc
/usr/lib/python3.9/site-packages/psi4/tests/__pycache__/utils.cpython-39.pyc
/usr/lib/python3.9/site-packages/psi4/tests/addons.py
/usr/lib/python3.9/site-packages/psi4/tests/conftest.py
/usr/lib/python3.9/site-packages/psi4/tests/test_addons.py
/usr/lib/python3.9/site-packages/psi4/tests/test_dft_benchmarks.py
/usr/lib/python3.9/site-packages/psi4/tests/test_dftd3.py
/usr/lib/python3.9/site-packages/psi4/tests/test_fcidump_energy.py
/usr/lib/python3.9/site-packages/psi4/tests/test_matrix.py
/usr/lib/python3.9/site-packages/psi4/tests/test_molecule_to_string.py
/usr/lib/python3.9/site-packages/psi4/tests/test_psi4.py
/usr/lib/python3.9/site-packages/psi4/tests/test_qcvars.py
/usr/lib/python3.9/site-packages/psi4/tests/test_solvers.py
/usr/lib/python3.9/site-packages/psi4/tests/test_tdscf_excitations.py
/usr/lib/python3.9/site-packages/psi4/tests/test_tdscf_products.py
/usr/lib/python3.9/site-packages/psi4/tests/test_vector.py
/usr/lib/python3.9/site-packages/psi4/tests/test_vibanalysis.py
/usr/lib/python3.9/site-packages/psi4/tests/utils.py
/usr/share/doc/psi4
/usr/share/doc/psi4/README.md
/usr/share/licenses/psi4
/usr/share/licenses/psi4/COPYING
/usr/share/licenses/psi4/COPYING.LESSER
References
- [psi4 website](http://www.psicode.org/ http://www.psicode.org/)
Summary
In this tutorial we learn how to install psi4 on Fedora 34 using yum and dnf.
