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Update base image to python-3.11.3 #455

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d62a24b
Update base image to python-3.10.11
danielhollas May 14, 2024
e52ca1e
3.11.3
danielhollas Jun 12, 2024
4a77ab9
Update mamba
danielhollas Jun 20, 2024
4985362
Update zstandard
danielhollas Jun 20, 2024
5ce75da
Install aiidalab from git
danielhollas Jun 21, 2024
dd63d3b
Update stack/base/Dockerfile
danielhollas Jun 22, 2024
3fe3513
Install aiidalab from fork
danielhollas Jun 22, 2024
01e7258
Merge branch 'main' into python-3.10.11
danielhollas Jul 4, 2024
3f28b84
Bump aiidalab to 24.07.0
danielhollas Jul 7, 2024
fcceb68
Fix aiidalab version
danielhollas Jul 7, 2024
ea3e431
Merge branch 'main' into python-3.10.11
danielhollas Jul 14, 2024
bda137e
Merge branch 'main' into python-3.10.11
danielhollas Jul 18, 2024
990d9bc
Merge branch 'main' into python-3.10.11
danielhollas Aug 7, 2024
4d11db0
Merge branch 'main' into python-3.10.11
danielhollas Aug 29, 2024
0ac4e15
Merge branch 'main' into python-3.10.11
danielhollas Sep 6, 2024
5ae2e64
Remove traitlets install
danielhollas Sep 6, 2024
6eecfe3
Merge branch 'main' into python-3.10.11
danielhollas Sep 8, 2024
d42e04c
Do not update zstandard, update mamba
danielhollas Sep 8, 2024
ac9850c
Revert full-stack fix-permission change
danielhollas Sep 8, 2024
98d976c
Update zstandard
danielhollas Sep 8, 2024
e830af4
Update comment
danielhollas Sep 8, 2024
9f65fae
Try installing mamba==2.0.0rc4
danielhollas Sep 8, 2024
f77b56a
Revert "Try installing mamba==2.0.0rc4"
danielhollas Sep 8, 2024
7eb857e
Merge branch 'main' into python-3.10.11
danielhollas Oct 24, 2024
cd167e5
Pin mamba version to 1.5, 2.0 contains breaking changes
danielhollas Oct 24, 2024
674e961
Run arm tests
danielhollas Nov 2, 2024
aeaa700
to-be-reverted: Test aiidalab-home fix
danielhollas Nov 19, 2024
4e02221
Merge branch 'main' into python-3.10.11
danielhollas Nov 19, 2024
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2 changes: 1 addition & 1 deletion build.json
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"variable": {
"PYTHON_VERSION": {
"default": "3.9.13"
"default": "3.11.3"
},
"PGSQL_VERSION": {
"default": "15"
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7 changes: 3 additions & 4 deletions stack/base/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -44,11 +44,10 @@ ENV PIP_CONSTRAINT /opt/requirements.txt
# Ensure that pip installs packages to ~/.local by default
ENV PIP_USER 1

# Upgrade pip to latest
RUN mamba update -y pip && mamba clean --all -f -y

# Upgrade pip and mamba to latest
# Install aiida-core and other shared requirements.
RUN mamba install --yes \
RUN mamba update -y pip mamba zstandard && \
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mamba install --yes \
aiida-core==${AIIDA_VERSION} \
mamba-bash-completion \
&& mamba clean --all -f -y && \
Expand Down
2 changes: 1 addition & 1 deletion stack/full-stack/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ COPY --from=base "${CONDA_DIR}/envs/aiida-core-services" "${CONDA_DIR}/envs/aiid
COPY --from=base /usr/local/bin/before-notebook.d /usr/local/bin/before-notebook.d

RUN fix-permissions "${CONDA_DIR}"
RUN fix-permissions "/home/${NB_USER}/.aiida"
RUN fix-permissions "/home/${NB_USER}"

USER ${NB_USER}

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15 changes: 9 additions & 6 deletions stack/lab/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -15,11 +15,12 @@ WORKDIR /opt/

# Install aiidalab package
ARG AIIDALAB_VERSION
RUN mamba install --yes \
aiidalab=${AIIDALAB_VERSION} \
&& mamba clean --all -f -y && \
fix-permissions "${CONDA_DIR}" && \
fix-permissions "/home/${NB_USER}"
RUN pip install --no-user aiidalab@git+https://github.com/aiidalab/aiidalab.git
#RUN mamba install --yes \
# aiidalab=${AIIDALAB_VERSION} \
# && mamba clean --all -f -y && \
# fix-permissions "${CONDA_DIR}" && \
# fix-permissions "/home/${NB_USER}"

# Pin aiidalab version.
RUN echo "aiidalab==${AIIDALAB_VERSION}" >> /opt/requirements.txt
Expand Down Expand Up @@ -77,7 +78,7 @@ WORKDIR "/home/${NB_USER}"

RUN mkdir -p /home/${NB_USER}/apps

# When a Jupyter notebook server looses a connection to the frontend,
# NOTE1: When a Jupyter notebook server looses a connection to the frontend,
# it keeps the messages in a buffer. If there is a background thread running
# and trying to update the frontend, the buffer grows indefinitely,
# eventually consuming all available RAM.
Expand All @@ -87,8 +88,10 @@ RUN mkdir -p /home/${NB_USER}/apps
# but that may come with other problems for people with flaky internet connections.
# Instead, here we configure Jupyter to kill all kernels that have been alive for
# more than 12 hours. We also close all inactive terminals after 10 minutes.
# NOTE2: show_banner=False disables the banner for upgrading to Notebook 7.
ENV NOTEBOOK_ARGS \
"--NotebookApp.default_url='/apps/apps/home/start.ipynb'" \
"--NotebookApp.show_banner=False" \
"--ContentsManager.allow_hidden=True" \
"--MappingKernelManager.buffer_offline_messages=True" \
"--MappingKernelManager.cull_busy=True" \
Expand Down
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