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

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

Introduction

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

What is `python3-espresso-mpich`

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 MPICH2.

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

Install python3-espresso-mpich 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-mpich using dnf by running the following command:

sudo dnf -y install python3-espresso-mpich

Install python3-espresso-mpich 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-mpich using yum by running the following command:

sudo yum -y install python3-espresso-mpich

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

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

sudo dnf remove python3-espresso-mpich

python3-espresso-mpich Package Contents on Rocky Linux 8

/usr/lib/.build-id
/usr/lib/.build-id/02
/usr/lib/.build-id/02/6fd18ab50807cff7523e9586fd1e53e5ec4709
/usr/lib/.build-id/0c
/usr/lib/.build-id/0c/b007264cfb7be9471ef965d45596c47d4a4c4f
/usr/lib/.build-id/0f
/usr/lib/.build-id/0f/fac391e6195fe54209ba34f9bdf549ce7b7834
/usr/lib/.build-id/16
/usr/lib/.build-id/16/679af7d40c58beebbb2a5543e21261d290c340
/usr/lib/.build-id/18
/usr/lib/.build-id/18/98e79b97e3cb070881750d63b9c47560901d42
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/usr/lib/.build-id/37/e87e8e676c5fb9c4abaf9e2e16bb8831fc30d9
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/usr/lib/.build-id/44
/usr/lib/.build-id/44/b6a62902de2689a5a2c13caa2055edd0921483
/usr/lib/.build-id/50
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/usr/lib/.build-id/62
/usr/lib/.build-id/62/0da2a65618de009be5464cea54f1a5fc167468
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/usr/lib/.build-id/92/d286386fb2a02244e8dfd3487faff3e28294d6
/usr/lib/.build-id/93
/usr/lib/.build-id/93/40046c90c000957526ca939408c6291c8efe80
/usr/lib/.build-id/94
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/usr/lib/.build-id/a1
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/usr/lib/.build-id/ab
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/usr/lib/.build-id/ab/5d350e8e4e59bea1d9021d6b1a60a0a209b675
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/usr/lib/.build-id/af/e5782924511c3e0ae0b47334695fe632763be7
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/usr/lib/.build-id/b0/29afd0a775a34caf9a454236af3fb92c49d547
/usr/lib/.build-id/c1
/usr/lib/.build-id/c1/eb3c6a0069638d842d5e2807d3eac816612f71
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/usr/lib/.build-id/c9
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/usr/lib/.build-id/f6/6148ecb6c2133ede9143711c70c8ed95e859b0
/usr/lib/.build-id/fe
/usr/lib/.build-id/fe/843256817f324739bcc0714884a4ba1c8b0536
/usr/lib64/python3.6/site-packages/mpich/espressomd
/usr/lib64/python3.6/site-packages/mpich/espressomd/EspressoConfig.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/EspressoCore.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/EspressoScriptInterface.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/H5mdCore.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/MDA_ESP
/usr/lib64/python3.6/site-packages/mpich/espressomd/MDA_ESP/__init__.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/MDA_ESP/__pycache__
/usr/lib64/python3.6/site-packages/mpich/espressomd/MDA_ESP/__pycache__/__init__.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/MDA_ESP/__pycache__/__init__.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/Shapes.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/__cinit__.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/__init__.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__
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/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/__init__.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/accumulators.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/accumulators.cpython-36.pyc
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/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/constraints.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/drude_helpers.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/drude_helpers.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/ekboundaries.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/ekboundaries.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/gen_code_info.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/gen_code_info.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/gen_pxiconfig.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/gen_pxiconfig.cpython-36.pyc
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/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/observables.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/pair_criteria.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/pair_criteria.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/shapes.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/shapes.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/virtual_sites.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/__pycache__/virtual_sites.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/_init.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/accumulators.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/actors.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/analyze.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/cellsystem.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/checkpointing.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/cluster_analysis.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/code_info.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/collision_detection.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/comfixed.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/constraints.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/core_cluster_analysis.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/cuda_init.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/diamond.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/drude_helpers.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/ekboundaries.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/electrokinetics.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/electrostatic_extensions.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/electrostatics.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/galilei.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/gen_code_info.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/gen_pxiconfig.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/globals.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/highlander.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/integrate.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/interactions.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/io
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/__init__.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/__pycache__
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/__pycache__/__init__.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/__pycache__/__init__.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/__pycache__/mpiio.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/__pycache__/mpiio.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/mpiio.py
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/usr/lib64/python3.6/site-packages/mpich/espressomd/io/writer/__init__.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/writer/__pycache__
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/usr/lib64/python3.6/site-packages/mpich/espressomd/io/writer/__pycache__/h5md.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/writer/__pycache__/vtf.cpython-36.opt-1.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/writer/__pycache__/vtf.cpython-36.pyc
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/writer/h5md.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/io/writer/vtf.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/lb.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/lbboundaries.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/magnetostatic_extensions.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/magnetostatics.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/minimize_energy.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/mpiio.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/observables.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/pair_criteria.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/particle_data.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/pdbparser.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/pdbreader.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/polymer.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/profiler.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/reaction_ensemble.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/scafacos.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/script_interface.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/shapes.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/system.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/thermostat.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/utils.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/version.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/virtual_sites.py
/usr/lib64/python3.6/site-packages/mpich/espressomd/visualization.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/visualization_mayavi.so
/usr/lib64/python3.6/site-packages/mpich/espressomd/visualization_opengl.so

References

python3-espresso-mpich website

Summary

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