Пакет исходного кода: cp2k (2025.1-1.1)
Ссылки для cp2k
Ресурсы Debian:
Сопровождающие:
Внешние ресурсы:
Из этого пакета исходного кода собираются следующие двоичные пакеты:
- cp2k
- Ab Initio Molecular Dynamics
- cp2k-data
- Ab Initio Molecular Dynamics (data files)
Другие пакеты, относящиеся к cp2k
-
- adep:
bc
- калькулятор GNU bc произвольной точности
-
- adep:
bison
- YACC-compatible parser generator
-
- adep:
debhelper
(>= 10)
- вспомогательные программы для debian/rules
-
- adep:
default-jre-headless
- Standard Java or Java compatible Runtime (headless)
-
- adep:
flex
- fast lexical analyzer generator
-
- adep:
python3
- интерактивный высокоуровневый объектно-ориентированный язык (версия python3 по умолчанию)
-
- adep:
python3-lxml
- pythonic binding for the libxml2 and libxslt libraries
-
- adep:
python3-myst-parser
- rich and extensible flavor of Markdown for technical docs
-
- adep:
python3-sphinxcontrib-mermaid
- Sphinx extension to embed Mermaid graphs in documents
-
- adep:
python3-sphinx-reredirects
- extension for Sphinx projects that handles redirects
-
- adep:
python3-sphinx-rtd-theme
- sphinx theme from readthedocs.org (Python 3)
-
- adep:
gfortran
- GNU Fortran 95 compiler
-
- adep:
libblas-dev
- Basic Linear Algebra Subroutines 3, static library
-
- adep:
libdbcsr-dev
(>= 2.6.0)
- Distributed Block Compressed Sparse Row matrix library
-
- adep:
libelpa-dev
(>= 2022.11.001-1)
- Eigenvalue SoLvers for Petaflop-Applications (Development version)
-
- adep:
libfftw3-dev
- Library for computing Fast Fourier Transforms - development
-
- adep:
libint2-dev
(>= 2.6.0-11)
- Computation Chemistry Integral Evaluation Library (development files)
-
- adep:
liblapack-dev
- Library of linear algebra routines 3 - static version
-
- adep:
libsaxonb-java
- Saxon-B XSLT Processor
-
- adep:
libscalapack-mpi-dev
(>= 2)
- Scalable Linear Algebra Package - Dev files for MPI
-
- adep:
libsymspg-dev
- C library for crystal symmetry determination (development files)
-
- adep:
libxc-dev
(>= 5.1.0)
- Library of Exchange-Correlation Functionals (development files)
-
- adep:
mpi-default-dev
- Standard MPI development files (metapackage)
-
- adep:
pkg-config
- manage compile and link flags for libraries (transitional package)
