deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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Installation docs need to be updated for new OneAPI Toolkits #4653

Closed Cstandardlib closed 1 month ago

Cstandardlib commented 1 month ago

Details

Intel® C++ Compiler Classic (icc) is deprecated and was discontinued in the oneAPI 2024.0 release. (See Intel® C++ Compiler Classic Release Notes ) Also, there are slight differences in Directory Layout from 2024.0, which leads to changes in the way environment variables are set. Current docs are no longer suitable to build with latest OneAPI Toolkits. We need to update our installation documentation to reflect the recent changes in the Intel OneAPI 2024.x release.

Have you read the online manual http://abacus.deepmodeling.com/en/latest/

Task list for Issue attackers (only for developers)

QuantumMisaka commented 1 month ago

@caic99 Do you have any comments?

Current toolchain is compatible with icc and icx, but icx will have problem in some platforms.

For compile dependency and abacus from scratch by CMake, I also consider that the docs need to update for various environment (not only the latest one-API but also some lower version)

mohanchen commented 1 month ago

https://mcresearch.github.io/abacus-user-guide/abacus-oneapi.html