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- LibXC. Version higher than 4.0.0 are required.
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Libxc is exchange-correlation libraries. Except a few functionals, most of functionals are rely on that library. To install ACE-Molecule, CMake(minimum version 2.8) is required. <br>
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You may want to invoke, for example, "apt install libxc-dev" to install it easily using aptitude.
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- LibXML2. Although the most linux distribution contains LibXML2 by default, you need developer files.<br>
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You may want to invoke, for example, "apt install libxml2-dev" to install the developer files easily using aptitude.
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For optional libraries, please refer the below list
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- CUDA : If you want to enable GPU, CUDA library should be given
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- MAGMA : For GPU calculations, this is optional dependency. See [Installation tutorial](https://gitlab.com/aceteam.kaist/ACE-Molecule/wikis/tutorial/Installation)
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- GSL (GNU Scientific libraries) : See http://www.gnu.org/software/gsl/. You may want to type "apt install libgsl-dev" to install it easily using aptitude. GSL library takes charge of the multi-dimensional conjugate gradient routine for geometry optimization.
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- LibXML2. Although the most linux distribution contains LibXML2 by default, you need developer files.<br>
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You may want to invoke, for example, "apt install libxml2-dev" to install the developer files easily using aptitude. LibXML2 is used only when PAW calculation is performed.
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## Install Option variables for CMake
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### Mandatory variables
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- TRILINOS_PATH (PATH): Path to Trilinos package.
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