How To Install python3-espresso-openmpi on Rocky Linux 8

In this tutorial we learn how to install python3-espresso-openmpi on Rocky Linux 8. python3-espresso-openmpi is Extensible Simulation Package for Research on Soft matter

Introduction

In this tutorial we learn how to install python3-espresso-openmpi on Rocky Linux 8.

What is `python3-espresso-openmpi`

ESPResSo can perform Molecular Dynamics simulations of bead-spring models in various ensembles ((N,V,E), (N,V,T), and (N,p,T)). ESPResSo contains a number of advanced algorithms, e.g. * DPD thermostat (for hydrodynamics) * P3M, MMM2D, MMM1D, ELC for electrostatic interactions * Lattice-Boltzmann for hydrodynamics This package contains espresso compiled against Open MPI.

We can use yum or dnf to install python3-espresso-openmpi on Rocky Linux 8. In this tutorial we discuss both methods but you only need to choose one of method to install python3-espresso-openmpi.

Install python3-espresso-openmpi on Rocky Linux 8 Using dnf

Update yum database with dnf using the following command.

sudo dnf makecache --refresh

After updating yum database, We can install python3-espresso-openmpi using dnf by running the following command:

sudo dnf -y install python3-espresso-openmpi

Install python3-espresso-openmpi on Rocky Linux 8 Using yum

Update yum database with yum using the following command.

sudo yum makecache --refresh

After updating yum database, We can install python3-espresso-openmpi using yum by running the following command:

sudo yum -y install python3-espresso-openmpi

How To Uninstall python3-espresso-openmpi on Rocky Linux 8

To uninstall only the python3-espresso-openmpi package we can use the following command:

sudo dnf remove python3-espresso-openmpi

python3-espresso-openmpi Package Contents on Rocky Linux 8

/usr/lib/.build-id
/usr/lib/.build-id/05
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/usr/lib64/python3.6/site-packages/openmpi/espressomd
/usr/lib64/python3.6/site-packages/openmpi/espressomd/EspressoConfig.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/EspressoCore.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/EspressoScriptInterface.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/H5mdCore.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/MDA_ESP
/usr/lib64/python3.6/site-packages/openmpi/espressomd/MDA_ESP/__init__.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/MDA_ESP/__pycache__
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/usr/lib64/python3.6/site-packages/openmpi/espressomd/Shapes.so
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/usr/lib64/python3.6/site-packages/openmpi/espressomd/__pycache__/observables.cpython-36.pyc
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/usr/lib64/python3.6/site-packages/openmpi/espressomd/__pycache__/pair_criteria.cpython-36.pyc
/usr/lib64/python3.6/site-packages/openmpi/espressomd/__pycache__/shapes.cpython-36.opt-1.pyc
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/usr/lib64/python3.6/site-packages/openmpi/espressomd/_init.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/accumulators.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/actors.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/analyze.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/cellsystem.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/checkpointing.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/cluster_analysis.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/code_info.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/collision_detection.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/comfixed.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/constraints.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/core_cluster_analysis.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/cuda_init.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/diamond.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/drude_helpers.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/ekboundaries.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/electrokinetics.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/electrostatic_extensions.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/electrostatics.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/galilei.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/gen_code_info.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/gen_pxiconfig.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/globals.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/highlander.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/integrate.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/interactions.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/io
/usr/lib64/python3.6/site-packages/openmpi/espressomd/io/__init__.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/io/__pycache__
/usr/lib64/python3.6/site-packages/openmpi/espressomd/io/__pycache__/__init__.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/openmpi/espressomd/io/__pycache__/__init__.cpython-36.pyc
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/usr/lib64/python3.6/site-packages/openmpi/espressomd/io/writer/__pycache__/h5md.cpython-36.pyc
/usr/lib64/python3.6/site-packages/openmpi/espressomd/io/writer/__pycache__/vtf.cpython-36.opt-1.pyc
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/usr/lib64/python3.6/site-packages/openmpi/espressomd/io/writer/h5md.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/io/writer/vtf.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/lb.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/lbboundaries.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/magnetostatic_extensions.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/magnetostatics.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/minimize_energy.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/mpiio.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/observables.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/pair_criteria.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/particle_data.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/pdbparser.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/pdbreader.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/polymer.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/profiler.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/reaction_ensemble.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/scafacos.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/script_interface.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/shapes.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/system.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/thermostat.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/utils.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/version.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/virtual_sites.py
/usr/lib64/python3.6/site-packages/openmpi/espressomd/visualization.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/visualization_mayavi.so
/usr/lib64/python3.6/site-packages/openmpi/espressomd/visualization_opengl.so

References

python3-espresso-openmpi website

Summary

In this tutorial we learn how to install python3-espresso-openmpi on Rocky Linux 8 using yum and dnf.