#!/bin/bash -e # author: Ole Schuett # install Ubuntu packages apt-get update -qq apt-get install -qq --no-install-recommends \ libpython3-stdlib \ python3 \ python3-pip \ python3-wheel \ python3-setuptools \ python3-dev \ build-essential \ golang \ unzip rm -rf /var/lib/apt/lists/* # install python packages pip3 install --quiet \ numpy \ matplotlib \ requests \ types-requests \ mypy==0.902 # download inputs for minimax_to_fortran_source.py cd /workspace/cp2k/tools/minimax_tools wget -q https://www.cp2k.org/static/downloads/1_xData.zip echo "7be2e56d83d0cb17683bbc8ab85dae1dc9a9c937e1dc1bad1514857938e687cb 1_xData.zip" | sha256sum --check unzip -q -d 1_xData 1_xData.zip #EOF