How To Install cp2k on Fedora 36
Introduction
In this tutorial we learn how to install cp2k
on Fedora 36.
What is cp2k
CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. CP2K does not implement Car-Parinello Molecular Dynamics (CPMD). This package contains the non-MPI single process and multi-threaded versions.
We can use yum
or dnf
to install cp2k
on Fedora 36. In this tutorial we discuss both methods but you only need to choose one of method to install cp2k.
Install cp2k 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 cp2k
using dnf
by running the following command:
sudo dnf -y install cp2k
Install cp2k 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 cp2k
using yum
by running the following command:
sudo yum -y install cp2k
How To Uninstall cp2k on Fedora 36
To uninstall only the cp2k
package we can use the following command:
sudo dnf remove cp2k
cp2k Package Contents on Fedora 36
/usr/bin/cp2k.sopt
/usr/bin/cp2k.ssmp
/usr/bin/cp2k_shell.ssmp
/usr/lib/.build-id
/usr/lib/.build-id/0a
/usr/lib/.build-id/0a/85fd558f7716a4abe7977ff20546eb33290106
/usr/lib/.build-id/12
/usr/lib/.build-id/12/4fa62702353500704cd878bba483366525835e
/usr/lib/.build-id/17
/usr/lib/.build-id/17/0fc2367cbaa9b6154a07011762d53f9708e80d
/usr/lib/.build-id/1f
/usr/lib/.build-id/1f/5d6f395bf1057cc3fbbfed8b544e9ddcc0691d
/usr/lib/.build-id/22
/usr/lib/.build-id/22/84769791817fcf6db205f852a55298ccf6dd27
/usr/lib/.build-id/23
/usr/lib/.build-id/23/91bf23a2cede4a1e26f093598d6b951e507e2d
/usr/lib/.build-id/2c
/usr/lib/.build-id/2c/ce2ef213acb07b7e0b06d3f798744c5998f061
/usr/lib/.build-id/2f
/usr/lib/.build-id/2f/da808f201ae21de2ed943c29c13e63b8bb681c
/usr/lib/.build-id/36
/usr/lib/.build-id/36/2800c1c6fb34494999b48e1f33fa6ddad4a5ec
/usr/lib/.build-id/38
/usr/lib/.build-id/38/08606aafe12b0291461268ff0351b25fc25bcd
/usr/lib/.build-id/41
/usr/lib/.build-id/41/8ff053696ff586847c58f20f7ac5c0c637ff7c
/usr/lib/.build-id/45
/usr/lib/.build-id/45/54114c314bd09230f9336bb4c93e428c344187
/usr/lib/.build-id/48
/usr/lib/.build-id/48/efffb2c9beb1d68c59494b842e240124444e4e
/usr/lib/.build-id/56
/usr/lib/.build-id/56/6806baa4faae6671d9db2fd4d9994ac1014e59
/usr/lib/.build-id/6b
/usr/lib/.build-id/6b/8cffcbf7cd51a38b860eb9231c25a737797e56
/usr/lib/.build-id/72
/usr/lib/.build-id/72/568c6ae18d25e9d6c2fd230c212a4b5662d4a6
/usr/lib/.build-id/79
/usr/lib/.build-id/79/1d31ff94617a9a771e42ed5f180db78271c0c4
/usr/lib/.build-id/79/30351d8d0866cf6b20626dc1b6a8538d45a614
/usr/lib/.build-id/7a
/usr/lib/.build-id/7a/ce411def60850dc71248eab32d8d548a569a96
/usr/lib/.build-id/87
/usr/lib/.build-id/87/64b8de4ad6dc391f02eb14e5c33e4024727577
/usr/lib/.build-id/98
/usr/lib/.build-id/98/cba8a0266fa1188121978df0e3fde7614af32c
/usr/lib/.build-id/a0
/usr/lib/.build-id/a0/055be6091ea5d5272da63496895da96c496d9e
/usr/lib/.build-id/a5
/usr/lib/.build-id/a5/aabfd84bd0df4278a7a739415d2f1279cc5ce1
/usr/lib/.build-id/a9
/usr/lib/.build-id/a9/e0eac35685ba7bf275f985fc2561bc80582298
/usr/lib/.build-id/aa
/usr/lib/.build-id/aa/e3a8d60432ae4ecb6baa9c633a01c5699ef7f2
/usr/lib/.build-id/b6
/usr/lib/.build-id/b6/840af3142015e35da0ede760f076415ca160d4
/usr/lib/.build-id/b7
/usr/lib/.build-id/b7/d39f6f5f60cb776a6efb3c9769a31d4ded5e72
/usr/lib/.build-id/bf
/usr/lib/.build-id/bf/8f5dd13519641721eefc238953897a0c03e3f6
/usr/lib/.build-id/e7
/usr/lib/.build-id/e7/be53a8f7093e30905a6b0cd7d47991c684450e
/usr/lib/.build-id/f2
/usr/lib/.build-id/f2/916b632434463cf1861ea8e6884168a02b5ee5
/usr/lib/.build-id/f4
/usr/lib/.build-id/f4/72f96b789387e914101eb691b8a079213e1552
/usr/lib/.build-id/f9
/usr/lib/.build-id/f9/10dbd9a5f46cfe554ca156ca5d52eb4e1d2c5e
/usr/lib/.build-id/fc
/usr/lib/.build-id/fc/45bd719852bc2ebdbead73c8ffcf745a630106
/usr/lib/.build-id/fe
/usr/lib/.build-id/fe/80f779af8c59da73b641ce175f6d7d5a0c2e9c
/usr/lib64/cp2k
/usr/lib64/cp2k/libcp2kao.so
/usr/lib64/cp2k/libcp2kbase.so
/usr/lib64/cp2k/libcp2kcommon.so
/usr/lib64/cp2k/libcp2kemd.so
/usr/lib64/cp2k/libcp2keri_mme.so
/usr/lib64/cp2k/libcp2kfft.so
/usr/lib64/cp2k/libcp2kfm.so
/usr/lib64/cp2k/libcp2kfpga.so
/usr/lib64/cp2k/libcp2kgrid.so
/usr/lib64/cp2k/libcp2kgridcommon.so
/usr/lib64/cp2k/libcp2kgridcpu.so
/usr/lib64/cp2k/libcp2kgridref.so
/usr/lib64/cp2k/libcp2khfxbase.so
/usr/lib64/cp2k/libcp2kinput.so
/usr/lib64/cp2k/libcp2kmain.so
/usr/lib64/cp2k/libcp2kmc.so
/usr/lib64/cp2k/libcp2kmetadyn_tools.so
/usr/lib64/cp2k/libcp2kminimax.so
/usr/lib64/cp2k/libcp2kmotion.so
/usr/lib64/cp2k/libcp2kmpiwrap.so
/usr/lib64/cp2k/libcp2koffload.so
/usr/lib64/cp2k/libcp2kpw.so
/usr/lib64/cp2k/libcp2kpw_env.so
/usr/lib64/cp2k/libcp2kshg_int.so
/usr/lib64/cp2k/libcp2kstart.so
/usr/lib64/cp2k/libcp2ksubsys.so
/usr/lib64/cp2k/libcp2kswarm.so
/usr/lib64/cp2k/libcp2kthermostat.so
/usr/lib64/cp2k/libcp2ktmc.so
/usr/lib64/cp2k/libcp2kxc.so
/usr/lib64/cp2k/libdbcsr.so
/usr/lib64/cp2k/libdbcsrarnoldi.so
/usr/lib64/cp2k/libdbcsrx.so
References
Summary
In this tutorial we learn how to install cp2k
on Fedora 36 using yum and [dnf]((/fedora/36/dnf/).