... | ... | @@ -54,16 +54,21 @@ For optional libraries, please refer the below list |
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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 (currently supports static linking only).
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### Optional variables
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- CMAKE_CXX_FLAGS (STRING): CXX compile flags.
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- EMABLE_CI (BOOL): Enable CI.
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- ENABLE_EX_DIAG (BOOL): Almost depreciated. Compiles and enables BlockKrylovSchur and BlockDavidson solver from Trilinos Anasazi.
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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 shared library
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- ENABLE_SCALAPACK (BOOL): This option determine whether enabling SCALPACK (experimental option)
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- ENABLE_EX_DIAG (BOOL): This option will be depreciated in near future. Compiles and enables BlockKrylovSchur and BlockDavidson solver from Trilinos Anasazi.
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- CMAKE_CXX_FLAGS (STRING): ACE-Molecule automatically use CXX FLAGS used when compiling trilinos package. Additional options can be set by this option. (not recommended)
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- GSL_PATH (PATH): Path to GSL library (currently supports static linking only).
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- EDISON (BOOL): Compiles for EDISON version. Some inputs are modified and adds default values.
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- EDISON (BOOL): This option will be depreciated in near future. Compiles for EDISON version. Some inputs are modified and adds default values.
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- CUDA_TOOLKIT_ROOT_DIR (PATH) : This parameter turn enable GPU calculations
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- CUDA_FLAGS (STRING) : nvcc options
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- MAGMA_PATH (PATH) :
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- MKL_PATH (PATH): Path to MKL library. For DDA calculations, this should be set
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- ACE_STATIC_LINK(BOOL): Set static building (no longer valid)
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For detailed examples, see [Installation examples](/tutorial/Installation-examples).
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