Packages / Debian 13 (Trixie) / science / cp2k
Package: cp2k (2025.1-1.1)
Maintainers:
External Resources:
Homepage: [www.cp2k.org]
Ab Initio Molecular Dynamics
Other Packages Related to cp2k:
dep: [cp2k-data] (= 2025.1-1.1)
Ab Initio Molecular Dynamics (data files)
dep: [libblas3]
Basic Linear Algebra Reference implementations, shared library
dep: libblas.so.3
Package not available
dep: [libc6] (>= 2.35)
GNU C Library: Shared libraries
dep: [libelpa19] (>= 2022.11.001)
Eigenvalue SoLvers for Petaflop-Applications
dep: [libfftw3-double3] (>= 3.3.10)
Library for computing Fast Fourier Transforms - Double precision
dep: [libgcc-s1] (>= 4.0)
GCC support library
dep: [libgfortran5] (>= 10)
Runtime library for GNU Fortran applications
dep: [libgomp1] (>= 6)
GCC OpenMP (GOMP) support library
dep: [libint2-2t64]
Computation Chemistry Integral Evaluation Library
dep: [liblapack3]
Library of linear algebra routines 3 - shared version
dep: liblapack.so.3
Package not available
dep: [libopenmpi40] (>= 5.0.7)
high performance message passing library -- shared library
dep: [libscalapack-openmpi2.2] (>= 2.2.2)
Scalable Linear Algebra Package - Shared libs for OpenMPI
dep: [libsymspg2] (>= 2.6.0)
C library for crystal symmetry determination
dep: [libxc9] (>= 5.1.6)
Library of Exchange-Correlation Functionals
Download cp2k
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 18 MiB | 60 MiB | [list of files] |
| arm64 | 18 MiB | 44 MiB | [list of files] |
Paketdateipfade (19)
Paths come from the repository package-file index for the observed builds. They describe archive/package associations, not every file that will exist on a running system after maintainer scripts, alternatives, generated state, diversions, or installation choices.
- /usr/bin/cp2k
- /usr/bin/cp2k.popt
- /usr/bin/cp2k.psmp
- /usr/bin/cp2k_shell
- /usr/bin/cp2k_shell.psmp
- /usr/share/doc/cp2k/changelog.Debian.gz
- /usr/share/doc/cp2k/copyright
- /usr/share/doc/cp2k/examples/argon.inp.gz
- /usr/share/doc/cp2k/examples/Ar-qmmm.inp.gz
- /usr/share/doc/cp2k/examples/C.inp
- /usr/share/doc/cp2k/examples/h2_dbg_0.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.inp
- /usr/share/doc/cp2k/examples/H2O.inp
- /usr/share/doc/cp2k/examples/h2o_pint_qs_nose.inp
- /usr/share/doc/cp2k/examples/H2O-qmmm-gauss-10.inp
- /usr/share/doc/cp2k/examples/H2O_tddfpt-s-1.inp
- /usr/share/doc/cp2k/TODO.Debian
Field source: Debian 13 (Trixie) main amd64 revision trixie-main-amd64:3ab4e811cf4f3e5a335d382c58cc19d85f1abe7a4ef4689160ca1f637fa0e9b3
