Please, if possible, update our QE version. The current one (5.4) available on Fedora was released more than 2 years ago. The current release is v6.3 and brings several improvements.
Hello, Marcin, we have now the 6.4 released. Looking at the 5.4 .spec file it seems that the packaging is very hard for this software... Can't a COPR repo make things less bureaucratic?
There is not much bureaucracy - we would just need a new spec that works on all supported Fedora and EPEL versions and architectures. Testing all that is a several hours effort. It's probably better to invest time and prepare a Dockerfile that does just `apt-get install quantum-espresso` and rely on the DebiChem effort mentioned at https://www.quantum-espresso.org/download: cat <<EOF > Dockerfile FROM debian:sid-slim # Find the version with: apt-cache policy quantum-espresso RUN apt-get update&& apt-get install -y --no-install-recommends quantum-espresso=6.3-4 quantum-espresso-data && rm -rf /var/lib/apt/lists/* CMD ["/bin/bash"] EOF sudo dnf install -y docker sudo systemctl start docker sudo systemctl enable docker sudo docker build -t quantum-espresso:6.3-4 . sudo docker images mkdir storage wget https://raw.githubusercontent.com/QEF/q-e/master/test-suite/pw_dft/dft1.in -P storage/ sudo docker run -it -v $(pwd)/storage:/mnt --name quantum-espresso_6.3-4 quantum-espresso:6.3-4 mpiexec --allow-run-as-root -np 2 pw.x < /mnt/dft1.in > /mnt/dft1.out exit cat storage/dft1.out sudo docker rm quantum-espresso_6.3-4
quantum-espresso-6.4.1-1.fc29 has been submitted as an update to Fedora 29. https://bodhi.fedoraproject.org/updates/FEDORA-2019-935b810f68
quantum-espresso-6.4.1-1.fc29 has been pushed to the Fedora 29 testing repository. If problems still persist, please make note of it in this bug report. See https://fedoraproject.org/wiki/QA:Updates_Testing for instructions on how to install test updates. You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2019-935b810f68
quantum-espresso-6.4.1-1.fc29 has been pushed to the Fedora 29 stable repository. If problems still persist, please make note of it in this bug report.