Package - cp2k
Primary informations
Download package: http://deb.debian.org/debian/pool/main/c/cp2k/cp2k_2025.1-1.1_amd64.deb (Size: 18.1MiB)| Property | Value |
|---|---|
| Package | cp2k |
| Version | 2025.1-1.1 |
| Installed-Size | 61552 |
| Maintainer | Debichem Team |
| Architecture | amd64 |
| Depends | cp2k-data (= 2025.1-1.1), libblas3 | libblas.so.3, libc6 (>= 2.35), libelpa19 (>= 2022.11.001), libfftw3-double3 (>= 3.3.10), libgcc-s1 (>= 4.0), libgfortran5 (>= 10), libgomp1 (>= 6), libint2-2t64, liblapack3 | liblapack.so.3, libopenmpi40 (>= 5.0.7), libscalapack-openmpi2.2 (>= 2.2.2), libsymspg2 (>= 2.6.0), libxc9 (>= 5.1.6) |
| Description | Ab Initio Molecular Dynamics |
| Description-md5 | 37c89754b1cfba92136be3fd32ced61d |
| Homepage | http://www.cp2k.org |
| Section | science |
| Priority | optional |
| Filename | pool/main/c/cp2k/cp2k_2025.1-1.1_amd64.deb |
| Size | 18964392 |
| MD5sum | 3ad86a3e1d8911aa16043cd20cf64e99 |
| SHA256 | 1dc0614c812d75c04d006eacc73d684c4904084f11f258b69b83c587d2bc275d |
Files in package
- /usr/bin/cp2k
- /usr/bin/cp2k.popt
- /usr/bin/cp2k.psmp
- /usr/bin/cp2k_shell
- /usr/bin/cp2k_shell.psmp
- /usr/share/doc/cp2k/TODO.Debian
- /usr/share/doc/cp2k/changelog.Debian.gz
- /usr/share/doc/cp2k/copyright
- /usr/share/doc/cp2k/examples/Ar-qmmm.inp.gz
- /usr/share/doc/cp2k/examples/C.inp
- /usr/share/doc/cp2k/examples/H2O-32_ewald.inp.gz
- /usr/share/doc/cp2k/examples/H2O-hfx-1.inp
- /usr/share/doc/cp2k/examples/H2O-qmmm-gauss-10.inp
- /usr/share/doc/cp2k/examples/H2O.inp
- /usr/share/doc/cp2k/examples/H2O_tddfpt-s-1.inp
- /usr/share/doc/cp2k/examples/argon.inp.gz
- /usr/share/doc/cp2k/examples/h2_dbg_0.inp
- /usr/share/doc/cp2k/examples/h2o.inp
- /usr/share/doc/cp2k/examples/h2o_pint_qs_nose.inp