做这个教程的目的主要是为了简化abinit的各种依赖包安装命令,前面我总结了大量的abinit安装教程,结果发现编译倒是成功编译了,就是测试老是出问题。后面经过反复测试发现有些安装是没有必要的,比如pnetcdf这种并行文件读写依赖包,还有netcdf-c的安装也不对,加上了各种—enable,结果测试的时候abinit提示权限问题。于是在原来编译理解的基础上,进行了大量的瘦身,做出了这个快速安装的简化版本。
提前配置的并source使之生效的环境变量文件添加的内容
#m4-1.4.19
export PATH=/home/ydn/opt/software/m4-1.4.19/build/bin:\(PATH</p><p> </p><p>#openmpi-4.1.3</p><p>export PATH=/home/ydn/opt/software/openmpi-4.1.3/build/bin:\)PATH
export LD_LIBRARY_PATH=/home/ydn/opt/software/openmpi-4.1.3/build/lib:\(LD_LIBRARY_PATH</p><p> </p><p>#OpenBLAS-0.3.25</p><p>export PATH=/home/ydn/opt/software/OpenBLAS-0.3.25/build/bin:\)PATH
export LD_LIBRARY_PATH=/home/ydn/opt/software/OpenBLAS-0.3.25/build/lib:\(LD_LIBRARY_PATH</p><p> </p><p>#zlib-1.2.11</p><p>export LD_LIBRARY_PATH=/home/ydn/opt/software/zlib-1.2.11/build/lib:\)LD_LIBRARY_PATH
#hdf5-1.10.6
export PATH=/home/ydn/opt/software/hdf5-1.10.6/build/bin:\(PATH</p><p>export LD_LIBRARY_PATH=/home/ydn/opt/software/hdf5-1.10.6/build/lib:\)LD_LIBRARY_PATH
#netcdf-c-4.9.0
export PATH=/home/ydn/opt/software/netcdf-c-4.9.0/build/bin:\(PATH</p><p>export LD_LIBRARY_PATH=/home/ydn/opt/software/netcdf-c-4.9.0/build/lib:\)LD_LIBRARY_PATH
#netcdf-fortran-4.6.0
export PATH=/home/ydn/opt/software/netcdf-fortran-4.6.0/build/bin:\(PATH</p><p>export LD_LIBRARY_PATH=/home/ydn/opt/software/netcdf-fortran-4.6.0/build/lib:\)LD_LIBRARY_PATH
#libxc-6.0.0
export PATH=/home/ydn/opt/software/libxc-6.0.0/build/bin:\(PATH</p><p>export LD_LIBRARY_PATH=/home/ydn/opt/software/libxc-6.0.0/build/lib:\)LD_LIBRARY_PATH
#xmlf90-1.5.6
export PATH=/home/ydn/opt/software/xmlf90-1.5.6/build/bin:\(PATH</p><p>export LD_LIBRARY_PATH=/home/ydn/opt/software/xmlf90-1.5.6/build/lib:\)LD_LIBRARY_PATH
#libpsml-1.1.12
export PATH=/home/ydn/opt/software/libpsml-1.1.12/build/bin:\(PATH</p><p>export LD_LIBRARY_PATH=/home/ydn/opt/software/libpsml-1.1.12/build/lib:\)LD_LIBRARY_PATH
#abinit-9.10.1
export PATH=/home/ydn/opt/software/abinit-9.10.1/build-for-openblas/bin:\(PATH</p><p>export LD_LIBRARY_PATH=/home/ydn/opt/software/abinit-9.10.1/build-for-openblas/lib:\)LD_LIBRARY_PATH
source ~/.bashrc
make -j2 USE_THREAD=0 USE_LOCKING=1

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