ソースパッケージ: votca (2022.1-1)
votca に関するリンク
Debian の資源:
メンテナ:
外部の資源:
以下のバイナリパッケージがこのソースパッケージからビルドされています。
- libvotca-2022
- VOTCA molecular dynamics analysis - shared libraries
- libvotca-dev
- VOTCA molecular dynamics analysis - development files
- votca
- Molecular dynamics analysis - coarse-graining and charge transport
- votca-data
- VOTCA molecular dynamics analysis - basis sets and scripts
- votca-tutorials
- VOTCA molecular dynamics analysis - tutorials
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(= 13)
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dh-python
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gromacs
(>= 2022)
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libboost-all-dev
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libecpint-dev
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libeigen3-dev
- lightweight C++ template library for linear algebra
-
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libexpat-dev
- 以下のパッケージによって提供される仮想パッケージです:
libexpat1-dev
-
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libfftw3-dev
- Library for computing Fast Fourier Transforms - development
-
- adep:
libgromacs-dev
(>= 2022)
- GROMACS molecular dynamics sim, development kit
-
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libgsl-dev
- GNU Scientific Library (GSL) -- 開発用パッケージ
-
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libhdf5-dev
- HDF5 - development files - serial version
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libint2-dev
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librdkit-dev
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libsqlite3-dev
- SQLite 3 開発用ファイル
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libxc-dev
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- manage compile and link flags for libraries (transitional package)
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- seamless operability between C++11 and Python
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-
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python3-lxml
- pythonic binding for the libxml2 and libxslt libraries
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python3-numpy
- Fast array facility to the Python 3 language
-
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python3-pytest
- Simple, powerful testing in Python3
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python3-rdkit
- Collection of cheminformatics and machine-learning software
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python3
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