Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
A
analytics
Manage
Activity
Members
Labels
Plan
Issues
Issue boards
Milestones
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Snippets
Deploy
Releases
Container Registry
Model registry
Operate
Environments
Monitor
Incidents
Service Desk
Analyze
Value stream analytics
Contributor analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
nomad-lab
analytics
Commits
8464719b
Commit
8464719b
authored
3 years ago
by
Luigi Sbailo
Browse files
Options
Downloads
Patches
Plain Diff
Add fix permissions $CONDA_DIR after tests
parent
77af4857
No related branches found
No related tags found
1 merge request
!109
Change permissions positions in dockerfile and change tutorial template
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
Dockerfile
+44
-43
44 additions, 43 deletions
Dockerfile
with
44 additions
and
43 deletions
Dockerfile
+
44
−
43
View file @
8464719b
...
...
@@ -217,9 +217,6 @@ RUN pip install numpy==1.17
USER
root
RUN
fix-permissions /opt/tutorials
\
&&
fix-permissions
$CONDA_DIR
# Trick to stop caching
ARG
CACHE_DATE=2021-1-26
...
...
@@ -229,9 +226,21 @@ COPY files files
RUN
pip
install
Pillow
RUN
python generate_headers.py
# Customize jupyter
WORKDIR
$HOME
COPY
files/custom.css custom.css
COPY
files/logo.png logo.png
COPY
files/Titillium Titillium
RUN
mkdir
.jupyter/custom
RUN
mv
custom.css .jupyter/custom
\
&&
mv
logo.png .jupyter/custom
\
&&
mv
Titillium .jupyter/custom
ARG
TUTORIALS_HOME=$HOME/tutorials
RUN
fix-permissions /opt/tutorials
\
&&
fix-permissions
$CONDA_DIR
# Linking all the notebooks of the tutorials
WORKDIR
$TUTORIALS_HOME
RUN
ln
-s
/opt/tutorials/
*
/
*
.ipynb
.
\
...
...
@@ -241,55 +250,47 @@ RUN ln -s /opt/tutorials/*/*.ipynb . \
WORKDIR
$TUTORIALS_HOME/assets
RUN
ln
-s
/opt/tutorials/
*
/assets/
*
.
# Linking data may required by the tutorials
# Linking data may
be
required by the tutorials
WORKDIR
$TUTORIALS_HOME/data
RUN
mkdir
data
&&
ln
-s
/opt/tutorials/
*
/data/
*
.
# Customize jupyter
WORKDIR
$HOME
COPY
files/custom.css custom.css
COPY
files/logo.png logo.png
COPY
files/Titillium Titillium
RUN
mkdir
.jupyter/custom
RUN
mv
custom.css .jupyter/custom
\
&&
mv
logo.png .jupyter/custom
\
&&
mv
Titillium .jupyter/custom
# Testing tutorials
#
RUN cp -r tutorials test_tutorials
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/ARISE.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/atomic_features.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/clustering_tutorial.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/cmlkit.ipynb"
#
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/CO2_SGD.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/compressed_sensing.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/convolutional_nn.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/decision_tree.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/descriptor_role.ipynb"
#
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/error_estimates.ipynb"
#
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/exploratory_analysis.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/gap_si_surface.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/grain_boundaries.ipynb"
#
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/kaggle_competition.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/krr4mat.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/nn_regression.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/perovskites_tolerance_factor.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=5000 --to notebook --execute "test_tutorials/query_nomad_archive.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/sgd_alloys_oxygen_reduction_evolution.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/soap_atomic_charges.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/tcmi.ipynb"
#
RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/tetradymite_PRM2020.ipynb"
#
# Remove following tutorial because test is too long
#
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=20000 --to notebook --execute "test_tutorials/domain_of_applicability.ipynb"
#
RUN rm -r test_tutorials
RUN
cp
-r
tutorials test_tutorials
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/ARISE.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/atomic_features.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/clustering_tutorial.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/cmlkit.ipynb"
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/CO2_SGD.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/compressed_sensing.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/convolutional_nn.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/decision_tree.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/descriptor_role.ipynb"
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/error_estimates.ipynb"
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/exploratory_analysis.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/gap_si_surface.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/grain_boundaries.ipynb"
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=1000 --to notebook --execute "test_tutorials/kaggle_competition.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/krr4mat.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/nn_regression.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/perovskites_tolerance_factor.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
5000
--to
notebook
--execute
"test_tutorials/query_nomad_archive.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/sgd_alloys_oxygen_reduction_evolution.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/soap_atomic_charges.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/tcmi.ipynb"
RUN
jupyter nbconvert
--ExecutePreprocessor
.timeout
=
1000
--to
notebook
--execute
"test_tutorials/tetradymite_PRM2020.ipynb"
# Remove following tutorial because test is too long
# RUN jupyter nbconvert --ExecutePreprocessor.timeout=20000 --to notebook --execute "test_tutorials/domain_of_applicability.ipynb"
RUN
rm
-r
test_tutorials
# ================================================================================
# Switch back to jovyan to avoid accidental container runs as root
# ================================================================================
WORKDIR
$HOME
RUN
fix-permissions
$TUTORIALS_HOME
\
&&
fix-permissions
$HOME
/.local/share/jupyter
&&
fix-permissions
$HOME
/.local/share/jupyter
\
&&
fix-permissions
$CONDA_DIR
USER
$NB_UID
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment