Skip to content

Commit

Permalink
Update Dockerfile.
Browse files Browse the repository at this point in the history
  • Loading branch information
yakutovicha committed Mar 12, 2024
1 parent 33fd994 commit 3bae028
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -5,13 +5,13 @@
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

FROM aiidateam/aiida-core:2.1.2
FROM FROM aiidateam/aiida-core-with-services:2.5.0

# To prevent the container to exit prematurely.
ENV KILL_ALL_RPOCESSES_TIMEOUT=50

WORKDIR /opt/

USER root
# Install statically linked CP2K which is a considerably newer release than Debian builtin.
# The statically linked CP2K is a non-MPI binary, but we're running all tests with 1 MPI proc.
RUN set -ex ; \
Expand All @@ -21,6 +21,7 @@ RUN set -ex ; \
echo "1e6fccf901873ebe9c827f45fb29331f599772f6e6281e988d8956c7a3aa143c /usr/bin/cp2k" | sha256sum -c ; \
chmod +x /usr/bin/cp2k

USER aiida
# Install aiida-cp2k plugin.
COPY . aiida-cp2k
RUN pip install ./aiida-cp2k[dev,docs]
Expand Down

0 comments on commit 3bae028

Please sign in to comment.