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aiidalab/qe:v26.09.0rc1

Multi-platform
Machine learning & AI
Data science
Index digest

sha256:1060cbf3702c4e36b16a0744b99239d818fd90bf5183954a36c530606cd0ab7a

OS/ARCH

Compressed size

2 GB

Last pushed

7 days by aiidalabbot

Type

Image

Manifest digest

sha256:1ea7bf4949a8aa39b047dfcd24c2eb2f6d47a3d860ed19b79f056d115b4f3875

Image Layers

Image Layers

1ARG RELEASE0 B
2ARG LAUNCHPAD_BUILD_ARCH0 B
3LABEL org.opencontainers.image.ref.name=ubuntu0 B
4LABEL org.opencontainers.image.version=24.040 B
5ADD file ... in / 29.17 MB
6CMD ["/bin/bash"]0 B
7LABEL maintainer=Jupyter Project <[email protected]>0 B
8ARG NB_USER=jovyan0 B
9ARG NB_UID=10000 B
10ARG NB_GID=1000 B
11SHELL [/bin/bash -o pipefail -c]0 B
12USER root0 B
13ENV DEBIAN_FRONTEND=noninteractive0 B
14RUN |3 NB_USER=jovyan NB_UID=1000 NB_GID=10011.61 MB
15ENV CONDA_DIR=/opt/conda SHELL=/bin/bash NB_USER=jovyan NB_UID=10000 B
16ENV PATH=/opt/conda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin HOME=/home/jovyan0 B
17COPY fix-permissions /usr/local/bin/fix-permissions # buildkit686 B
18RUN |3 NB_USER=jovyan NB_UID=1000 NB_GID=10032 B
19RUN |3 NB_USER=jovyan NB_UID=1000 NB_GID=1001.86 KB
20RUN |3 NB_USER=jovyan NB_UID=1000 NB_GID=1001.27 KB
21RUN |3 NB_USER=jovyan NB_UID=1000 NB_GID=1004.83 KB
22RUN |3 NB_USER=jovyan NB_UID=1000 NB_GID=10032 B
23USER 10000 B
24ARG PYTHON_VERSION=3.120 B
25RUN |4 NB_USER=jovyan NB_UID=1000 NB_GID=100149 B
26COPY --chown=1000:100 initial-condarc /opt/conda/.condarc #276 B
27WORKDIR /tmp32 B
28RUN |4 NB_USER=jovyan NB_UID=1000 NB_GID=10089.75 MB
29COPY run-hooks.sh start.sh /usr/local/bin/ #4.58 KB
30ENTRYPOINT ["tini" "-g" "--" "start.sh"]0 B
31USER root0 B
32RUN |4 NB_USER=jovyan NB_UID=1000 NB_GID=100182 B
33COPY 10activate-conda-env.sh /usr/local/bin/before-notebook.d/ # buildkit477 B
34RUN |4 NB_USER=jovyan NB_UID=1000 NB_GID=10032 B
35USER 10000 B
36WORKDIR /home/jovyan32 B
37LABEL maintainer=Jupyter Project <[email protected]>0 B
38SHELL [/bin/bash -o pipefail -c]0 B
39USER root0 B
40RUN /bin/bash -o pipefail -c39.27 MB
41RUN /bin/bash -o pipefail -c32 B
42USER 10000 B
43WORKDIR /tmp32 B
44RUN /bin/bash -o pipefail -c93.54 MB
45ENV JUPYTER_PORT=88880 B
46EXPOSE map[8888/tcp:{}]0 B
47CMD ["start-notebook.py"]0 B
48COPY start-notebook.py start-notebook.sh start-singleuser.py start-singleuser.sh1.14 KB
49COPY jupyter_server_config.py docker_healthcheck.py /etc/jupyter/ #1.64 KB
50USER root0 B
51RUN /bin/bash -o pipefail -c1.65 KB
52HEALTHCHECK &{["CMD-SHELL" "/etc/jupyter/docker_healthcheck.py || exit0 B
53RUN /bin/bash -o pipefail -c32 B
54USER 10000 B
55WORKDIR /home/jovyan32 B
56LABEL maintainer=Jupyter Project <[email protected]>0 B
57SHELL [/bin/bash -o pipefail -c]0 B
58USER root0 B
59RUN /bin/bash -o pipefail -c232.64 MB
60RUN /bin/bash -o pipefail -c1.35 KB
61RUN /bin/bash -o pipefail -c32 B
62USER 10000 B
63COPY --chown=1000:100 Rprofile.site /opt/conda/lib/R/etc/ #433 B
64COPY setup-scripts/ /opt/setup-scripts/ # buildkit2.74 KB
65LABEL maintainer=AiiDAlab Team <[email protected]>0 B
66USER root0 B
67ENV EXTRA_APT_PACKAGES=curl povray rsync build-essential0 B
68ARG TARGETARCH=amd640 B
69RUN |1 TARGETARCH=amd64 /bin/bash -o166.77 MB
70WORKDIR /opt/32 B
71ARG AIIDA_VERSION=2.9.10 B
72RUN |2 TARGETARCH=amd64 AIIDA_VERSION=2.9.1 /bin/bash160 B
73RUN |2 TARGETARCH=amd64 AIIDA_VERSION=2.9.1 /bin/bash173 B
74RUN |2 TARGETARCH=amd64 AIIDA_VERSION=2.9.1 /bin/bash320 B
75ENV PIP_CONSTRAINT=/opt/requirements.txt0 B
76COPY pip.conf /opt/conda/pip.conf # buildkit194 B
77RUN |2 TARGETARCH=amd64 AIIDA_VERSION=2.9.1 /bin/bash246.92 MB
78RUN |2 TARGETARCH=amd64 AIIDA_VERSION=2.9.1 /bin/bash297 B
79COPY config-quick-setup.yaml . # buildkit284 B
80COPY before-notebook.d/* /usr/local/bin/before-notebook.d/ # buildkit2.51 KB
81ENV SETUP_DEFAULT_AIIDA_PROFILE=true0 B
82ENV AIIDA_PROFILE_NAME=default0 B
83ENV AIIDA_USER_EMAIL=aiida@localhost0 B
84ENV AIIDA_USER_FIRST_NAME=Giuseppe0 B
85ENV AIIDA_USER_LAST_NAME=Verdi0 B
86ENV AIIDA_USER_INSTITUTION=Khedivial0 B
87COPY load-singlesshagent.sh /opt/bin/ # buildkit1.01 KB
88ENV PATH=/opt/conda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/home/jovyan/.local/bin0 B
89RUN |2 TARGETARCH=amd64 AIIDA_VERSION=2.9.1 /bin/bash330 B
90RUN |2 TARGETARCH=amd64 AIIDA_VERSION=2.9.1 /bin/bash176 B
91USER jovyan0 B
92WORKDIR /home/jovyan32 B
93LABEL maintainer=AiiDAlab Team <[email protected]>0 B
94ENV DOCKER_STACKS_JUPYTER_CMD=nbclassic0 B
95USER root0 B
96WORKDIR /opt/32 B
97ARG AIIDALAB_VERSION=26.06.00 B
98ARG AWB_VERSION=3.0.0a30 B
99RUN |2 AIIDALAB_VERSION=26.06.0 AWB_VERSION=3.0.0a3 /bin/bash47.44 MB
100RUN |2 AIIDALAB_VERSION=26.06.0 AWB_VERSION=3.0.0a3 /bin/bash188 B
101RUN |2 AIIDALAB_VERSION=26.06.0 AWB_VERSION=3.0.0a3 /bin/bash340 B
102RUN |2 AIIDALAB_VERSION=26.06.0 AWB_VERSION=3.0.0a3 /bin/bash320 B
103ARG AIIDALAB_HOME_TAG=v26.06.00 B
104RUN |3 AIIDALAB_VERSION=26.06.0 AWB_VERSION=3.0.0a3 AIIDALAB_HOME_TAG=v26.06.07.24 MB
105RUN |3 AIIDALAB_VERSION=26.06.0 AWB_VERSION=3.0.0a3 AIIDALAB_HOME_TAG=v26.06.0410 B
106ARG PYTHON_MINOR_VERSION=3.120 B
107COPY --chown=1000:100 gears.svg /opt/conda/share/jupyter/nbextensions/appmode/gears.svg #5.16 KB
108COPY before-notebook.d/* /usr/local/bin/before-notebook.d/ # buildkit1.82 KB
109ENV AIIDALAB_HOME=/home/jovyan0 B
110ENV AIIDALAB_APPS=/home/jovyan/apps0 B
111ENV AIIDALAB_DEFAULT_GIT_BRANCH=master0 B
112ENV AIIDALAB_DEFAULT_APPS=0 B
113ENV AIIDALAB_FACTORY_RESET=0 B
114USER jovyan0 B
115WORKDIR /home/jovyan32 B
116RUN |4 AIIDALAB_VERSION=26.06.0 AWB_VERSION=3.0.0a3 AIIDALAB_HOME_TAG=v26.06.0156 B
117ENV NOTEBOOK_ARGS=--NotebookApp.default_url='/apps/apps/home/start.ipynb' 0 B
118COPY --chown=1000:100 aiidalab-wide-logo.png /opt/conda/lib/python3.12/site-packages/nbclassic/static/base/images/logo.png #47.09 KB
119RUN |4 AIIDALAB_VERSION=26.06.0 AWB_VERSION=3.0.0a3 AIIDALAB_HOME_TAG=v26.06.0181 B
120COPY --chown=1000:100 custom.css /home/jovyan/.jupyter/custom/custom.css #341 B
121USER root0 B
122COPY /opt/config-quick-setup.yaml /opt/ # buildkit181 B
123COPY /opt/conda/envs/aiida-core-services /opt/conda/envs/aiida-core-services # buildkit142.28 MB
124COPY /usr/local/bin/before-notebook.d /usr/local/bin/before-notebook.d # buildkit1.02 KB
125RUN /bin/bash -o pipefail -c52.84 KB
126RUN /bin/bash -o pipefail -c32 B
127USER jovyan0 B
128ENV PGDATA=/home/jovyan/.postgresql0 B
129RUN /bin/bash -o pipefail -c4.09 MB
130WORKDIR /home/jovyan32 B
131ARG AIIDA_HQ_PKG=aiida-hyperqueue~=0.3.00 B
132ARG MUON_PKG=aiidalab-qe-muon@git+https://github.com/aiidalab/[email protected]0 B
133ARG COMPUTER_LABEL=localhost0 B
134ENV COMPUTER_LABEL=localhost0 B
135ENV AIIDA_HQ_PKG=aiida-hyperqueue~=0.3.00 B
136ENV MUON_PKG=aiidalab-qe-muon@git+https://github.com/aiidalab/[email protected]0 B
137ENV QE_APP_FOLDER=/opt/conda/quantum-espresso0 B
138ARG QE_DIR=/opt/conda/envs/quantum-espresso-7.40 B
139ARG QE_APP_SRC=/tmp/quantum-espresso0 B
140ARG TARGETARCH=amd640 B
141USER root0 B
142RUN |6 AIIDA_HQ_PKG=aiida-hyperqueue~=0.3.0 MUON_PKG=aiidalab-qe-muon@git+https://github.com/aiidalab/[email protected] COMPUTER_LABEL=localhost80.65 MB
143USER jovyan0 B
144RUN |6 AIIDA_HQ_PKG=aiida-hyperqueue~=0.3.0 MUON_PKG=aiidalab-qe-muon@git+https://github.com/aiidalab/[email protected] COMPUTER_LABEL=localhost24.46 KB
145COPY /opt/conda/hq /usr/local/bin/ # buildkit10.08 MB
146COPY /opt/conda/envs/quantum-espresso-7.4 /opt/conda/envs/quantum-espresso-7.4 # buildkit215.82 MB
147COPY /opt/conda/envs/quantum-espresso-7.4/bin/wannier90.x /opt/conda/bin/wannier90.x # buildkit473.44 KB
148USER root0 B
149COPY ./before-notebook.d/00_untar-home.sh ./before-notebook.d/43_start-hq.sh /usr/local/bin/before-notebook.d/ #1.96 KB
150RUN |6 AIIDA_HQ_PKG=aiida-hyperqueue~=0.3.0 MUON_PKG=aiidalab-qe-muon@git+https://github.com/aiidalab/[email protected] COMPUTER_LABEL=localhost349 B
151ENV HOME_TAR=/opt/home.tar0 B
152COPY /opt/conda/home.tar /opt/home.tar # buildkit598.86 MB
153COPY /opt/conda/quantum-espresso /opt/conda/quantum-espresso # buildkit32.5 MB
154USER jovyan0 B
155WORKDIR /home/jovyan32 B

Command

 ARG RELEASE