原始碼套件： psi4 (1:1.3.2-3build2)
psi4 的相關超連結
Trisquel 的資源：
維護者：
Original Maintainers:
- Debichem Team (郵件存檔)
- Michael Banck
- Graham Inggs
外部的資源：
- 主頁 [www.psicode.org]
本原始碼套件構建了以下這些二進制套件：
其他與 psi4 有關的套件
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- adep: chemps2
- Executable to call libchemps2-3 from the command line
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- adep: cmake
- cross-platform, open-source make system
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- adep: debhelper (>> 8)
- helper programs for debian/rules
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- adep: dh-python
- Debian helper tools for packaging Python libraries and applications
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- adep: dvipng
- convert DVI files to PNG graphics
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- adep: gfortran
- GNU Fortran 95 compiler
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- adep: libblas-dev
- Basic Linear Algebra Subroutines 3, static library
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- adep: libchemps2-dev (>= 1.8.5-1)
- C++ headers, static library, and symlink for libchemps2-3
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- adep: libgg-dev (>= 2.0.4-1)
- Computing gaussians on a grid (development files)
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- adep: libhdf5-dev
- Hierarchical Data Format 5 (HDF5) - development files - serial version
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- adep: libint-dev (>= 1.2.0-1)
- Evaluate the integrals in modern atomic and molecular theory (devel)
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- adep: liblapack-dev
- Library of linear algebra routines 3 - static version
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- adep: libxc-dev (>= 4.2.3-1)
- Library of Exchange-Correlation Functionals (development files)
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- adep: python3-qcelemental
- Periodic table, physical constants, and molecule parsing for quantum chemistry
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- adep: python3-deepdiff
- Deep Difference and search of any Python object/data
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- adep: python3-dev
- header files and a static library for Python (default)
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- adep: python3-numpy
- Fast array facility to the Python 3 language
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- adep: python3-networkx
- tool to create, manipulate and study complex networks (Python3)
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- adep: python3-pybind11
- pybind11 helper module for Python 3
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- adep: python3-pytest
- Simple, powerful testing in Python3
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- adep: python3-sphinx
- documentation generator for Python projects (implemented in Python 3)
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- adep: texlive-latex-extra
- TeX Live: LaTeX additional packages
Download psi4
| 文件 | 大小(單位: kB) | MD5 檢查碼 |
|---|---|---|
| psi4_1.3.2-3build2.dsc | 2.3 kB | 0b3d814dc012626f4e3679314492c8cb |
| psi4_1.3.2.orig.tar.gz | 41,573.2 kB | 2a9262ab5f4981381bc4ca7da8a6cae0 |
| psi4_1.3.2-3build2.debian.tar.xz | 13.5 kB | 9642209eebef1f042a33a71d072ca75a |
- Debian 套件原始碼倉庫(VCS: Git)
- https://salsa.debian.org/debichem-team/psi4.git
- Debian 套件原始碼倉庫(可在線瀏覽)
- https://salsa.debian.org/debichem-team/psi4