Install libxc
./configure --prefix=/public4/home/sc56152/software/libxc-5.1.6 CC="icc -std=c11 -pedantic-errors" FC=ifort
make -j 8
make install
Install yambo-5.0.3
先找一台能联网的Linux机器，进入yambo-5.0.3/lib/archive
make -f Makefile.loc 下载所有外部安装包。
然后重新打包 tar -czf yambo_new.tar.gz yambo-5.0.3
用这个新的安装包安装，就可以避免繁琐地添加外部安装包
source /public4/soft/modules/module.sh
module load intel/17.0.5-cjj-public4-public4
export MKLROOT=/public4/soft/intel/2017/compilers_and_libraries_2017.5.239/linux/mkl
./configure --prefix=/public4/home/sc56152/software/yambo/yambo-5.0.3 FC=ifort F77=ifort CC=icc MPICC=mpiicc MPIFC=mpiifort MPIF77=mpiifort --enable-mpi --enable-uspp --enable-options-check --enable-memory-profile --enable-iotk --enable-hdf5-p2y-support --with-blacs-libs="-L$MKLROOT/lib/intel64 -lmkl_blacs_intelmpi_lp64" --with-scalapack-libs="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64" --with-blas-libs="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" --with-lapack-libs="-L$MKLROOT/lib/intel64 -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" --with-fft-path=/public4/home/sc56152/software/fftw/fftw-3.3.9 --with-iotk-path=/public4/home/sc56152/software/qe/6.6.0/iotk --with-hdf5-path=/public4/home/sc56152/software/hdf5/1.12.0
修改qe-6.8.0/install and qe-6.8.0/archive目录下内容，放入qe-6.8.0/archive/5.0.3.tar.gz
*要在yambo-5.0.3/lib/yambo 放入driver文件再压缩为5.0.3.tar.gz
cd qe-6.8.0/
export F77=ifort
make yambo
Install netcdf (old)
./configure --prefix=/public4/home/sc56152/software/netcdf/4.8.1 CC=icc --enable-shared
CPPFLAGS=-I/public4/home/sc56152/software/hdf5/1.12.0/include
LDFLAGS=-L/public4/home/sc56152/software/hdf5/1.12.0/lib
make
make install -i
./configure --prefix=/public4/home/sc56152/software/netcdf/fortran-4.5.3 CC=icc FC=ifort F77=ifort
--enable-shared --enable-largefile --disable-static
CPPFLAGS="-I/public4/home/sc56152/software/hdf5/1.12.0/include -I/public4/home/sc56152/software/netcdf/4.8.1/include"
LDFLAGS="-L/public4/home/sc56152/software/hdf5/1.12.0/lib -L/public4/home/sc56152/software/netcdf/4.8.1/lib"
make
Install yambo-5.0.3 (old)
NETCDF_LIB="/public4/home/sc56152/software/netcdf/4.8.1/lib -lnetcdf"
NETCDF_INC="/public4/home/sc56152/software/netcdf/4.8.1/include"
./configure --prefix=/public4/home/sc56152/software/yambo/5.0.3
FC=ifort F77=ifort CC=icc MPICC=mpiicc MPIFC=mpiifort MPIF77=mpiifort CFLAGS=-O3 FCFLAGS=-O3 FFLAGS=-O3
--enable-mpi --enable-uspp --enable-options-check --enable-memory-profile --enable-iotk
--enable-hdf5-compression --enable-hdf5-par-io --enable-hdf5-p2y-support --enable-yaml-output
--with-netcdf-libs="$NETCDF_LIB" --with-netcdf-includedir="$NETCDF_INC"
--with-blacs-libs="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64"
--with-scalapack-libs="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
--with-blas-libs="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
--with-lapack-libs="-L$MKLROOT/lib/intel64 -lmkl_lapack95_lp64"
--with-fft-path=/public4/home/sc56152/software/fftw/fftw-3.3.9
--with-iotk-path=/public4/home/sc56152/software/qe/6.6.0/iotk
--with-netcdf-path=/public4/home/sc56152/software/netcdf/4.8.1
--with-netcdf-libdir=/public4/home/sc56152/software/netcdf/4.8.1/lib
--with-hdf5-path=/public4/home/sc56152/software/hdf5/1.12.0/
./configure --prefix=/public4/home/sc56152/software/yambo/5.0.3
FC=ifort F77=ifort CC=icc MPICC=mpiicc MPIFC=mpiifort MPIF77=mpiifort CFLAGS=-O3 FCFLAGS=-O3 FFLAGS=-O3
--enable-mpi --enable-uspp --enable-options-check --enable-memory-profile
--with-fft-path=/public4/home/sc56152/software/fftw/fftw-3.3.9
--enable-hdf5-compression --enable-hdf5-par-io --enable-hdf5-p2y-support
--with-hdf5-path=/public4/home/sc56152/software/hdf5/1.10.5/install_dir
--with-blacs-libs="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64"
--with-scalapack-libs="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
--with-blas-libs="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
--with-lapack-libs="-L$MKLROOT/lib/intel64 -lmkl_lapack95_lp64"
--enable-iotk --with-iotk-path=/public4/home/sc56152/software/qe/6.6.0/iotk
--disable-netcdf
--with-hdf5-libdir=/public4/home/sc56152/software/hdf5/1.10.5/install_dir/lib
--with-hdf5-includedir=/public4/home/sc56152/software/hdf5/1.10.5/install_dir/include