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Automated dependency upgrades #1975

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0bdcdbd
scaffold new namespace
esoteric-ephemera Dec 2, 2025
0ea6e25
port tests over from emmet
esoteric-ephemera Dec 3, 2025
10e6115
Update readme + add example schema
esoteric-ephemera Dec 4, 2025
51fd258
Update readme + add example schema
esoteric-ephemera Dec 4, 2025
c9a000c
add example + barebones schema autogenerator
esoteric-ephemera Dec 4, 2025
64ffeb7
auto dependency upgrades
invalid-email-address Dec 8, 2025
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9 changes: 9 additions & 0 deletions .pre-commit-config.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -35,3 +35,12 @@ repos:
rev: 25.9.0
hooks:
- id: black

- repo: https://github.com/kynan/nbstripout
rev: 0.8.1
hooks:
- id: nbstripout
args:
- --drop-empty-cells
- --strip-init-cells
- --extra-keys=metadata.kernelspec
38 changes: 18 additions & 20 deletions mpcontribs-api/requirements/ubuntu-latest_py3.11.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@
#
# pip-compile --output-file=requirements/ubuntu-latest_py3.11.txt
#
anyio==4.11.0
anyio==4.12.0
# via jupyter-server
apispec==5.2.2
# via mpcontribs-api (setup.py)
Expand All @@ -26,9 +26,9 @@ attrs==25.4.0
# via
# jsonschema
# referencing
backports-zstd==1.1.0
backports-zstd==1.2.0
# via flask-compress
beautifulsoup4==4.14.2
beautifulsoup4==4.14.3
# via nbconvert
bibtexparser==1.4.3
# via pymatgen
Expand All @@ -38,9 +38,9 @@ blinker==1.9.0
# via mpcontribs-api (setup.py)
boltons==25.0.0
# via mpcontribs-api (setup.py)
boto3==1.41.5
boto3==1.42.4
# via flask-mongorest-mpcontribs
botocore==1.41.5
botocore==1.42.4
# via
# boto3
# s3transfer
Expand Down Expand Up @@ -128,15 +128,15 @@ flexcache==0.3
# via pint
flexparser==0.4
# via pint
fonttools==4.60.1
fonttools==4.61.0
# via matplotlib
fqdn==1.5.1
# via jsonschema
freezegun==1.5.5
# via rq-scheduler
gevent==25.9.1
# via gunicorn
greenlet==3.2.4
greenlet==3.3.0
# via gevent
gunicorn[gevent]==23.0.0
# via mpcontribs-api (setup.py)
Expand All @@ -151,7 +151,7 @@ ipykernel==6.29.5
# via
# nbclassic
# notebook
ipython==9.7.0
ipython==9.8.0
# via ipykernel
ipython-genutils==0.2.0
# via
Expand Down Expand Up @@ -251,7 +251,7 @@ more-itertools==10.8.0
# via mpcontribs-api (setup.py)
mpmath==1.3.0
# via sympy
narwhals==2.12.0
narwhals==2.13.0
# via plotly
nbclassic==1.3.3
# via notebook
Expand All @@ -274,7 +274,7 @@ nest-asyncio==1.6.0
# jupyter-client
# nbclassic
# notebook
networkx==3.6
networkx==3.6.1
# via pymatgen
notebook==6.5.7
# via mpcontribs-api (setup.py)
Expand All @@ -290,9 +290,9 @@ numpy==2.3.5
# pymatgen
# scipy
# spglib
opentelemetry-api==1.38.0
opentelemetry-api==1.39.0
# via ddtrace
orjson==3.11.4
orjson==3.11.5
# via
# flask-mongorest-mpcontribs
# pymatgen
Expand Down Expand Up @@ -322,7 +322,7 @@ pillow==12.0.0
# via matplotlib
pint==0.25.2
# via mpcontribs-api (setup.py)
platformdirs==4.5.0
platformdirs==4.5.1
# via
# jupyter-core
# pint
Expand Down Expand Up @@ -353,7 +353,7 @@ pygments==2.19.2
# nbconvert
pymatgen==2025.10.7
# via mpcontribs-api (setup.py)
pymongo==4.15.4
pymongo==4.15.5
# via
# flask-mongorest-mpcontribs
# mongoengine
Expand Down Expand Up @@ -420,7 +420,7 @@ rfc3986-validator==0.1.1
# jupyter-events
rfc3987-syntax==1.1.0
# via jsonschema
rpds-py==0.29.0
rpds-py==0.30.0
# via
# jsonschema
# referencing
Expand All @@ -437,7 +437,7 @@ ruamel-yaml==0.18.16
# pymatgen
ruamel-yaml-clib==0.2.15
# via ruamel-yaml
s3transfer==0.15.0
s3transfer==0.16.0
# via boto3
scipy==1.16.3
# via pymatgen
Expand All @@ -456,8 +456,6 @@ six==1.17.0
# flatten-dict
# python-dateutil
# rfc3339-validator
sniffio==1.3.1
# via anyio
soupsieve==2.8
# via beautifulsoup4
spglib==2.6.0
Expand Down Expand Up @@ -523,7 +521,7 @@ uncertainties==3.2.3
# pymatgen
uri-template==1.3.0
# via jsonschema
urllib3==2.5.0
urllib3==2.6.1
# via
# botocore
# requests
Expand All @@ -539,7 +537,7 @@ websocket-client==1.9.0
# via
# jupyter-server
# mpcontribs-api (setup.py)
werkzeug==3.1.3
werkzeug==3.1.4
# via
# flasgger-tschaume
# flask
Expand Down
40 changes: 19 additions & 21 deletions mpcontribs-api/requirements/ubuntu-latest_py3.11_extras.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@
#
# pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.11_extras.txt
#
anyio==4.11.0
anyio==4.12.0
# via jupyter-server
apispec==5.2.2
# via mpcontribs-api (setup.py)
Expand All @@ -26,9 +26,9 @@ attrs==25.4.0
# via
# jsonschema
# referencing
backports-zstd==1.1.0
backports-zstd==1.2.0
# via flask-compress
beautifulsoup4==4.14.2
beautifulsoup4==4.14.3
# via nbconvert
bibtexparser==1.4.3
# via pymatgen
Expand All @@ -38,9 +38,9 @@ blinker==1.9.0
# via mpcontribs-api (setup.py)
boltons==25.0.0
# via mpcontribs-api (setup.py)
boto3==1.41.5
boto3==1.42.4
# via flask-mongorest-mpcontribs
botocore==1.41.5
botocore==1.42.4
# via
# boto3
# s3transfer
Expand Down Expand Up @@ -130,15 +130,15 @@ flexcache==0.3
# via pint
flexparser==0.4
# via pint
fonttools==4.60.1
fonttools==4.61.0
# via matplotlib
fqdn==1.5.1
# via jsonschema
freezegun==1.5.5
# via rq-scheduler
gevent==25.9.1
# via gunicorn
greenlet==3.2.4
greenlet==3.3.0
# via gevent
gunicorn[gevent]==23.0.0
# via mpcontribs-api (setup.py)
Expand All @@ -155,7 +155,7 @@ ipykernel==6.29.5
# via
# nbclassic
# notebook
ipython==9.7.0
ipython==9.8.0
# via ipykernel
ipython-genutils==0.2.0
# via
Expand Down Expand Up @@ -257,7 +257,7 @@ more-itertools==10.8.0
# via mpcontribs-api (setup.py)
mpmath==1.3.0
# via sympy
narwhals==2.12.0
narwhals==2.13.0
# via plotly
nbclassic==1.3.3
# via notebook
Expand All @@ -280,7 +280,7 @@ nest-asyncio==1.6.0
# jupyter-client
# nbclassic
# notebook
networkx==3.6
networkx==3.6.1
# via pymatgen
notebook==6.5.7
# via mpcontribs-api (setup.py)
Expand All @@ -296,9 +296,9 @@ numpy==2.3.5
# pymatgen
# scipy
# spglib
opentelemetry-api==1.38.0
opentelemetry-api==1.39.0
# via ddtrace
orjson==3.11.4
orjson==3.11.5
# via
# flask-mongorest-mpcontribs
# pymatgen
Expand Down Expand Up @@ -329,7 +329,7 @@ pillow==12.0.0
# via matplotlib
pint==0.25.2
# via mpcontribs-api (setup.py)
platformdirs==4.5.0
platformdirs==4.5.1
# via
# jupyter-core
# pint
Expand Down Expand Up @@ -367,7 +367,7 @@ pygments==2.19.2
# pytest
pymatgen==2025.10.7
# via mpcontribs-api (setup.py)
pymongo==4.15.4
pymongo==4.15.5
# via
# flask-mongorest-mpcontribs
# mongoengine
Expand All @@ -377,7 +377,7 @@ pyparsing==3.2.5
# via
# bibtexparser
# matplotlib
pytest==9.0.1
pytest==9.0.2
# via mpcontribs-api (setup.py)
python-dateutil==2.9.0.post0
# via
Expand Down Expand Up @@ -436,7 +436,7 @@ rfc3986-validator==0.1.1
# jupyter-events
rfc3987-syntax==1.1.0
# via jsonschema
rpds-py==0.29.0
rpds-py==0.30.0
# via
# jsonschema
# referencing
Expand All @@ -453,7 +453,7 @@ ruamel-yaml==0.18.16
# pymatgen
ruamel-yaml-clib==0.2.15
# via ruamel-yaml
s3transfer==0.15.0
s3transfer==0.16.0
# via boto3
scipy==1.16.3
# via pymatgen
Expand All @@ -472,8 +472,6 @@ six==1.17.0
# flatten-dict
# python-dateutil
# rfc3339-validator
sniffio==1.3.1
# via anyio
soupsieve==2.8
# via beautifulsoup4
spglib==2.6.0
Expand Down Expand Up @@ -539,7 +537,7 @@ uncertainties==3.2.3
# pymatgen
uri-template==1.3.0
# via jsonschema
urllib3==2.5.0
urllib3==2.6.1
# via
# botocore
# requests
Expand All @@ -555,7 +553,7 @@ websocket-client==1.9.0
# via
# jupyter-server
# mpcontribs-api (setup.py)
werkzeug==3.1.3
werkzeug==3.1.4
# via
# flasgger-tschaume
# flask
Expand Down
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