abinit / abinit

The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

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Dockerfile

mretegan opened this issue · comments

Abinit has a Docker image on DockerHub, but I could not find the file used to build it. Is this available somewhere in the organisation repository? Thanks!

Thanks for the repository. I made some changes to the Dockerfile, mostly combining different RUN commands with the idea of reducing the size of the resulting image. Still, I only managed to reduce it by a few tens of megabytes.

Intel now provides their compilers and libraries via apt packages. Would building ABINIT using them would result in significantly increased performances?