build-machine image for building the images of pseudopotential generation tools

The image page is here.

This is the base image for build the images of pseudopotential generation tool containers.

In the image, it installs and compiles the following tools:

• gfortran and gcc <= 7
• lapack and blas libraries ~3.10
• libxc ~= 4.3.4

The reason that we use these version is that pseudo generation codes are written in old fashion and usually not compatible with the latest version of compilers and libraries.

How to build the image locally

First, clone the repository:

git clone https://github.com/pspgen/build-machine.git

Then, build the image:

cd build-machine
docker buildx bake -f docker-bake.hcl -f build.json --load

You'll see the image pspgen/build-machine:newly-baked in your local docker images by running docker images.

The versions of libraries and compilers are defined in the build.json.