Merge pull request #772 from deepmodeling/tryEigen

Doc: update dependencies

Author: dyzheng

.github/workflows/test.yml

@@ -4,10 +4,7 @@ on:
   pull_request_target:
     branches:
       - develop
-      - update_MD
-      - ABACUS_2.2.0_beta
-      - deepks
-      - planewave
+      - tryEigen
 jobs:
 
   test:

doc/install.md

@@ -57,23 +57,22 @@ The source directory further contains the following folders, where the source fi
 
 ### Prerequisites
 
-In order to compile ABACUS, users should make sure that the following prerequisites are
+ABACUS current supports Linux. To compile ABACUS, please make sure that the following prerequisites are
 present:
 
-- C++ compiler, supporting C++11. For example, [Intel C++ compiler](https://software.intel.com/enus/c-compilers) or [GCC](https://gcc.gnu.org/);
-- Fortran compiler;
-- MPI compiler. The recommended version are [Intel MPI](https://software.intel.com/enus/mpi-library) or [MPICH](https://www.mpich.org/);
-- The ScaLAPACK library. For example, [Intel MKL](https://software.intel.com/en-us/mkl)
-or [Netlib ScaLAPACK](http://www.netlib.org/scalapack/);
-- The [FFTW library](http://www.fftw.org/). ABACUS now supports both FFTW2 and
-FFTW3;
-- The [ELPA library](https://elpa.mpcdf.mpg.de/);
-- The [CEREAL library](https://uscilab.github.io/cereal/);
+- C++ compiler, supporting C++11. You can use [Intel® C++ compiler](https://software.intel.com/enus/c-compilers) or [GCC](https://gcc.gnu.org/).
+- MPI compiler. The recommended version are [Intel MPI](https://software.intel.com/enus/mpi-library) or [MPICH](https://www.mpich.org/).
+- Fortran compiler for building `BLAS`, `LAPACK` and `ScaLAPACK`. You can use[Intel® Fortran Compiler](https://www.intel.com/content/www/us/en/developer/tools/oneapi/fortran-compiler.html) [GFortran](https://gcc.gnu.org/fortran/).
+- [BLAS](http://www.netlib.org/blas/). You can use [OpenBLAS](https://www.openblas.net/).
+- [LAPACK](http://www.netlib.org/lapack/).
+- [ScaLAPACK](http://www.netlib.org/scalapack/).
+- [FFTW](http://www.fftw.org/).
+- [ELPA](https://elpa.mpcdf.mpg.de/).
+- [CEREAL](https://uscilab.github.io/cereal/).
 
-Alternatively, you can choose [Intel® oneAPI toolkit](https://software.intel.com/content/www/us/en/develop/tools/oneapi/commercial-base-hpc.html) (former Parallel Studio) as toolchain. The [Intel® oneAPI Base Toolkit](https://software.intel.com/content/www/us/en/develop/tools/oneapi/all-toolkits.html#base-kit) contains Intel® oneAPI Math Kernel Library (aka `MKL`), replacing `FFTW3, LAPACK,` and `ScaLAPACK`. The [Intel® oneAPI HPC Toolkit](https://software.intel.com/content/www/us/en/develop/tools/oneapi/all-toolkits.html#hpc-kit) contains Intel® MPI Library, and C++ compiler(including MPI compiler). Please noted that building `elpa` with a different MPI library may cause conflict between MPI libraries.
-
-If you use Intel toolchain, don't forget to [set environment variables](https://software.intel.com/content/www/us/en/develop/documentation/get-started-with-intel-oneapi-render-linux/top/configure-your-system.html) before you start! `cmake` will use Intel MKL if the environment variable `MKLROOT` is set.
+Alternatively, you can choose [Intel® oneAPI toolkit](https://software.intel.com/content/www/us/en/develop/tools/oneapi/commercial-base-hpc.html) (former Parallel Studio) as toolchain. The [Intel® oneAPI Base Toolkit](https://software.intel.com/content/www/us/en/develop/tools/oneapi/all-toolkits.html#base-kit) contains Intel® oneAPI Math Kernel Library (aka `MKL`), including `BLAS`, `LAPACK`, `ScaLAPACK` and `FFTW3`,  - this means that no Fortran compiler required anymore. The [Intel® oneAPI HPC Toolkit](https://software.intel.com/content/www/us/en/develop/tools/oneapi/all-toolkits.html#hpc-kit) contains Intel® MPI Library, and C++ compiler(including MPI compiler). Please noted that building `elpa` with a different MPI library may cause conflict between MPI libraries. Don't forget to [set environment variables](https://software.intel.com/content/www/us/en/develop/documentation/get-started-with-intel-oneapi-render-linux/top/configure-your-system.html) before you start! `cmake` will use Intel MKL if the environment variable `MKLROOT` is set.
 
+If you have trouble building requirements, our Dockerfiles in root path offer a reference, or read the section below to use a pre-built container.
 [back to top](#download-and-install)
 
 ### Container Deployment
@@ -87,9 +86,10 @@ We also support [gitpod](https://www.gitpod.io/) to offer an ready-to-use online
 
 ### Build and install ABACUS with CMake
 
+We recommend building ABACUS with `cmake` to avoid dependency issues. `Makefile` is deprecated.
+
 #### Configure
 
-We recommend building ABACUS with `cmake` to avoid dependency issues.
 ABACUS requires a minimum `cmake` version of `3.18`. Check the version of `cmake`  on your machine with:
 
 ```bash