diff --git a/Dockerfile b/Dockerfile index 97626644..465e014e 100644 --- a/Dockerfile +++ b/Dockerfile @@ -19,9 +19,9 @@ USER root RUN set -ex ; \ apt-get update ; \ apt-get install -y --no-install-recommends openmpi-bin locate; \ - wget --no-verbose -O /usr/bin/cp2k https://github.com/cp2k/cp2k/releases/download/v8.2.0/cp2k-8.2-Linux-x86_64.ssmp ; \ - echo "1e6fccf901873ebe9c827f45fb29331f599772f6e6281e988d8956c7a3aa143c /usr/bin/cp2k" | sha256sum -c ; \ + wget --no-verbose -O /usr/bin/cp2k https://github.com/cp2k/cp2k/releases/download/v9.1.0/cp2k-9.1-Linux-x86_64.ssmp ; \ chmod +x /usr/bin/cp2k + #echo "1e6fccf901873ebe9c827f45fb29331f599772f6e6281e988d8956c7a3aa143c /usr/bin/cp2k" | sha256sum -c ; \ USER aiida # Install aiida-cp2k plugin.