Configuration

QE

make

QE can use its configure script to detect compilers and libraries necessary for compilation. To configure the environment, run the following command from the QE root directory

./configure

For additional flags for fine-tuning the configuration process, check out the QE docs.

cmake

Note

When using cmake, Environ must be pre-compiled. See Environ v3.0 and up compilation instructions

Alternatively, one can use QE’s cmake installation process. If chosen, create a new build directory in QE root, and inside it, run

cmake -DCMAKE_Fortran_COMPILER=<...> -DCMAKE_C_COMPILER=<...> -DENVIRON_ROOT=<absolute_path_to_Environ> ..

For additional information on the cmake installation process, check out the QE cmake guide

Environ v2.0 and up

The configure script was adopted in the recent Environ v2.0 release. To configure Environ, run the same command from the Environ root directory

./configure

making sure to use the same compiler flags and libraries.

Note

If using cmake to compile QE, modify the ESPRESSO_ROOT variable in the following files to reflect the build directory: Environ/tests/environment, Environ/examples/qe/environment