Пакет исходного кода: psi4 (1:1.3.2+dfsg-5)
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
- платформонезависимая система сборки с открытым исходным кодом
-
- adep:
debhelper
(>> 8)
- вспомогательные программы для debian/rules
-
- adep:
dh-python
- Debian helper tools for packaging Python libraries and applications
-
- 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)
- C++ headers, static library, and symlink for libchemps2-3
-
- adep:
libgg-dev
(>= 2.0.4)
- Computing gaussians on a grid (development files)
-
- adep:
libhdf5-dev
- HDF5 - development files - serial version
-
- adep:
libint-dev
(>= 1.2.1-4)
- Evaluate the integrals in modern atomic and molecular theory (devel)
-
- adep:
liblapack-dev
- Library of linear algebra routines 3 - static version
-
- adep:
libxc-dev
(>= 4.2.3)
- Library of Exchange-Correlation Functionals (development files)
-
- adep:
python3-qcelemental
- Periodic table, physical constants, and molecule parsing for quantum chemistry
-
- 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
-
- adep:
texlive-latex-extra
- TeX Live: LaTeX additional packages
