Пакет исходного кода: psi4 (1:1.2.1-2)
Ссылки для psi4
Ресурсы Debian:
Сопровождающие:
Внешние ресурсы:
Из этого пакета исходного кода собираются следующие двоичные пакеты:
- psi4
- Quantum Chemical Program Suite
- psi4-data
- Quantum Chemical Program Suite (data files)
Другие пакеты, относящиеся к psi4
-
- adep:
chemps2
- Executable to call libchemps2-3 from the command line
-
- adep:
cmake
- cross-platform, open-source make system
-
- adep:
debhelper
(>> 8)
- вспомогательные программы для debian/rules
-
- adep:
dh-python
- вспомогательные инструменты для создания Debian-пакетов для библиотек и приложений на Python
-
- adep:
dvipng
- convert DVI files to PNG graphics
-
- adep:
gfortran
- GNU Fortran 95 compiler
-
- adep:
libblas-dev
- Basic Linear Algebra Subroutines 3, static library
-
- adep:
libchemps2-dev
(>= 1.8.5-1)
- C++ headers, static library, and symlink for libchemps2-3
-
- adep:
libgg-dev
- Computing gaussians on a grid (development files)
-
- adep:
libhdf5-dev
- Hierarchical Data Format 5 (HDF5) - development files - serial version
-
- adep:
libint-dev
(>= 1.2.0-1)
- Evaluate the integrals in modern atomic and molecular theory (devel)
-
- adep:
liblapack-dev
- Library of linear algebra routines 3 - static version
-
- adep:
libxc-dev
- Library of Exchange-Correlation Functionals (development files)
-
- adep:
python3-deepdiff
- Deep Difference and search of any Python object/data
-
- adep:
python3-dev
- header files and a static library for Python (default)
-
- adep:
python3-numpy
- Fast array facility to the Python 3 language
-
- adep:
python3-networkx
- tool to create, manipulate and study complex networks (Python3)
-
- adep:
python3-pybind11
- pybind11 helper module for Python 3
-
- adep:
python3-pytest
- Simple, powerful testing in Python3
-
- adep:
python3-sphinx
- documentation generator for Python projects (implemented in Python 3)
-
- adep:
texlive-latex-extra
- TeX Live: LaTeX additional packages
