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- **CUDA**: If you want to enable **GPU**, CUDA library should be used.
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- **MAGMA**: Additional library for **GPU calculations**.(Optional) See [Installation tutorial](https://gitlab.com/aceteam.kaist/ACE-Molecule/wikis/tutorial/Installation)
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- **GNU Scientific libraries(GSL)**: 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**: The library required for the **PAW** dataset parsing. Additional to the LibXML2 library, you need a developer packages.<br>
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- **LibXML2**: The library required for the **PAW** dataset parsing. Additional to the LibXML2 library, you need a developer package.<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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## Install using CMake
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CMAKE INSTALL INSTRUCTION LINK FILE - THIS Section should be seperated into ANOTHER DOCUMENTS!
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CMAKE INSTALL INSTRUCTION LINK FILE - THIS Section should be separated into ANOTHER DOCUMENTS!
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### Mandatory variables
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- **TRILINOS_PATH** (PATH): Path to Trilinos package.
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- **LIBXC_PATH** (PATH): Path to LibXC library.
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### Optional variables
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- EMABLE_CI (BOOL): This option determines whether enabling CI or not.
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- EMABLE_MAGMA (BOOL): This option determines whether enabling MAGMA or not. Magma should be compiled as a shared library form (.so)
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- ENABLE_CI (BOOL): This option determines whether enabling CI or not.
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- ENABLE_MAGMA (BOOL): This option determines whether enabling MAGMA or not. Magma should be compiled as a shared library form (.so)
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- ENABLE_SCALAPACK (BOOL): This option determines whether enabling ScaLAPACK (experimental option)
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- ENABLE_EX_DIAG (BOOL): This option will be depreciated in the near future. Compiles and enables BlockKrylovSchur and BlockDavidson solver from Trilinos Anasazi.
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- CMAKE_CXX_FLAGS (STRING): ACE-Molecule automatically uses CXX FLAGS used when compiling Trilinos package. Additional options can be added by this option. (not recommended)
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