Installation of Perturbo on Rocky Linux with Intel oneAPI

Following the instructions on Perturbo.

Installation of hdf5

wget https://support.hdfgroup.org/releases/hdf5/v1_14/v1_14_5/downloads/hdf5-1.14.5.tar.gz

tar xvf hdf5-1.14.5.tar.gz

cd hdf5-1.14.5/

CC=mpicc CXX=mpiicx FC=mpiifx ./configure –prefix=/opt/hdf5 –enable-fortran

make -j 4

make install

ls /opt/hdf5/

bin  include  lib

Install QE 7.2

git clone https://github.com/QEF/q-e.git
cd q-e
git checkout qe-7.2

Following Intel Compilers with MPI:

./configure F90=ifx CC=mpiicx CFLAGS=-O3 FFLAGS=-O3 MPIF90=mpiifx --with-hdf5=/opt/hdf5

One thing I had trouble is that the latest 2025 version does not have ifort in, so I have to cheat it a bit by using early version using soft link

Inside /opt/intel/oneapi/compiler/2025.0/bin I created a link with ln -s /opt/oneapi/2022/compiler/2022.1.0/linux/bin/intel64/ifort . Then ls shows a link is created

...
... ifort -> /opt/oneapi/2022/compiler/2022.1.0/linux/bin/intel64/ifort
...