How To Install cp2k on Fedora 34
Introduction
In this tutorial we learn how to install cp2k on Fedora 34.
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 34. In this tutorial we discuss both methods but you only need to choose one of method to install cp2k.
Install cp2k 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 cp2k using dnf by running the following command:
sudo dnf -y install cp2k
Install cp2k 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 cp2k using yum by running the following command:
sudo yum -y install cp2k
How To Uninstall cp2k on Fedora 34
To uninstall only the cp2k package we can use the following command:
sudo dnf remove cp2k
cp2k Package Contents on Fedora 34
/usr/bin/cp2k.sopt
/usr/bin/cp2k.ssmp
/usr/bin/cp2k_shell.ssmp
/usr/lib/.build-id
/usr/lib/.build-id/09
/usr/lib/.build-id/09/da1cdf85b53f5a0f5e70eb40ce1dd57f0b2afd
/usr/lib/.build-id/0a
/usr/lib/.build-id/0a/faf0b534f6fb921e204b8d2d60968299b58b96
/usr/lib/.build-id/15
/usr/lib/.build-id/15/d8098d05f4e888de3789dcc315a9c64e39a19d
/usr/lib/.build-id/1e
/usr/lib/.build-id/1e/e13fdd8e6a797385ce6823bc5744b2bcb5a6b1
/usr/lib/.build-id/23
/usr/lib/.build-id/23/fbb89ec26f114933bbfc6910b8531cb54ece93
/usr/lib/.build-id/27
/usr/lib/.build-id/27/aaa7d10f195deb0ebcbce6b2062051347d9310
/usr/lib/.build-id/29
/usr/lib/.build-id/29/40b1a45c979c58b4ae104b546278b4547618d2
/usr/lib/.build-id/29/f515c68913d76cea537ee65b14dd9d87a2397c
/usr/lib/.build-id/30
/usr/lib/.build-id/30/d9385bb8d965045ee06d99a23ab7e154cd4c9f
/usr/lib/.build-id/35
/usr/lib/.build-id/35/83ce86583b0e543f6ca741f894b59b9844ab83
/usr/lib/.build-id/3f
/usr/lib/.build-id/3f/26a3ab04f8d85e69eca1d4154e59c6f5ce2e8b
/usr/lib/.build-id/43
/usr/lib/.build-id/43/eff4e75bc74ded2a2b2f3d20e5102af4a5b970
/usr/lib/.build-id/4c
/usr/lib/.build-id/4c/27cd28376ed871638089c1904e48dbe4bffa22
/usr/lib/.build-id/56
/usr/lib/.build-id/56/5bdcadd9379f84cca7e6e0806e2f7203286e7b
/usr/lib/.build-id/59
/usr/lib/.build-id/59/21694b4593e8e73a6583be5051e0402eb21615
/usr/lib/.build-id/63
/usr/lib/.build-id/63/390cda68114da8d5dbb24ccc5a6cc28165b206
/usr/lib/.build-id/69
/usr/lib/.build-id/69/0aa62cae7f5ae2a7fb2cde96c080593eef8eb6
/usr/lib/.build-id/70
/usr/lib/.build-id/70/672b9a43989ffa4791fc7de993a6ce16142c66
/usr/lib/.build-id/75
/usr/lib/.build-id/75/3bcf95f60c78fa392514ca4abd11776ee573d0
/usr/lib/.build-id/7e
/usr/lib/.build-id/7e/d49f879d14ad2e4c72fd84bbb053dbdda341f5
/usr/lib/.build-id/85
/usr/lib/.build-id/85/66cd79c5f3d5d7707f254e829a79a58c52cc12
/usr/lib/.build-id/8f
/usr/lib/.build-id/8f/7136afdc6b07458d8b54c4da19ffabcc28a1d1
/usr/lib/.build-id/93
/usr/lib/.build-id/93/75020fc1e7781f40c9f2009322c576f1c542be
/usr/lib/.build-id/96
/usr/lib/.build-id/96/f1f32f92b89d8b721686a0bd1388bd68d977b8
/usr/lib/.build-id/a4
/usr/lib/.build-id/a4/8d0768fff4114708547b712a7a2433fd72778e
/usr/lib/.build-id/a9
/usr/lib/.build-id/a9/0e0bdadb8693a323321e4c4e9e8124ac7f1dca
/usr/lib/.build-id/b2
/usr/lib/.build-id/b2/ee21f3043d3354a46a57560c5b41888d575cb8
/usr/lib/.build-id/d0
/usr/lib/.build-id/d0/088f38a69c95e4c4e40170c22de290488c1f3e
/usr/lib/.build-id/da
/usr/lib/.build-id/da/bcdda802689919fbe6eef1f5422e813d4804ba
/usr/lib/.build-id/e3
/usr/lib/.build-id/e3/c053f4876d53b6a2219b70e82dea86942cbdbc
/usr/lib/.build-id/eb
/usr/lib/.build-id/eb/38deab1a3b98d943908b873127e238e32083fd
/usr/lib/.build-id/f4
/usr/lib/.build-id/f4/3f2aeea7ff2e87359e1183b395141547edd2d0
/usr/lib/.build-id/fb
/usr/lib/.build-id/fb/50634d3ba9d96091b7c90e11e9f86abd02935d
/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/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 34 using yum and dnf.
