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requirements.txt
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requirements.txt
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# This file was autogenerated by uv via the following command:
# uv pip compile --universal -p 3.11 --annotation-style=line --extra=infrastructure --extra=parsing --output-file=requirements.txt dependencies/nomad-dos-fingerprints/pyproject.toml dependencies/parsers/eelsdb/pyproject.toml pyproject.toml
alabaster==1.0.0 # via sphinx
alembic==1.13.2 # via jupyterhub
amqp==5.2.0 # via kombu
aniso8601==9.0.1 # via nomad-lab (pyproject.toml)
anyio==4.4.0 # via httpx, starlette, watchfiles
arrow==1.3.0 # via isoduration
ase==3.22.1 # via asr, matid, nomad-lab (pyproject.toml)
asgiref==3.8.1 # via nomad-lab (pyproject.toml)
asr==0.4.1 # via nomad-lab (pyproject.toml)
async-generator==1.10 # via jupyterhub
async-property==0.2.2 # via python-keycloak
attrs==24.2.0 # via jsonschema
babel==2.16.0 # via sphinx
bagit==1.8.1 # via nomad-lab (pyproject.toml)
basicauth==0.4.1 # via nomad-lab (pyproject.toml)
beautifulsoup4==4.12.3 # via nomad-lab (pyproject.toml)
billiard==4.2.0 # via celery
bitarray==2.9.2 # via nomad-dos-fingerprints (dependencies/nomad-dos-fingerprints/pyproject.toml), nomad-lab (pyproject.toml)
blinker==1.8.2 # via flask
cachetools==5.5.0 # via nomad-lab (pyproject.toml)
celery==5.4.0 # via nomad-lab (pyproject.toml)
certifi==2024.7.4 # via elasticsearch, httpcore, httpx, netcdf4, requests
certipy==0.1.3 # via jupyterhub
cffi==1.17.0 ; platform_python_implementation != 'PyPy' # via cryptography
cftime==1.6.4 # via netcdf4
charset-normalizer==3.3.2 # via requests
click==8.1.7 # via asr, celery, click-didyoumean, click-plugins, click-repl, flask, uvicorn, nomad-lab (pyproject.toml)
click-didyoumean==0.3.1 # via celery
click-plugins==1.1.1 # via celery
click-repl==0.3.0 # via celery
colorama==0.4.6 ; sys_platform == 'win32' or platform_system == 'Windows' # via click, sphinx, tqdm, uvicorn
commonmark==0.9.1 # via recommonmark
contourpy==1.3.0 # via matplotlib
cryptography==43.0.0 # via jwcrypto, pyjwt, pyopenssl, rfc3161ng
cycler==0.12.1 # via matplotlib
decorator==5.1.1 # via validators
deprecation==2.1.0 # via python-keycloak
dnspython==2.6.1 # via email-validator, pymongo
docker==7.1.0 # via dockerspawner
dockerspawner==13.0.0 # via nomad-lab (pyproject.toml)
docstring-parser==0.16 # via nomad-lab (pyproject.toml)
docutils==0.21.2 # via m2r, recommonmark, sphinx
elasticsearch==7.17.1 # via elasticsearch-dsl, nomad-lab (pyproject.toml)
elasticsearch-dsl==7.4.0 # via nomad-lab (pyproject.toml)
email-validator==1.3.1 # via optimade
escapism==1.0.1 # via dockerspawner
et-xmlfile==1.1.0 # via openpyxl
fastapi==0.99.1 # via h5grove, nomad-lab (pyproject.toml)
fasteners==0.19 # via mdanalysis
filelock==3.3.1 # via nomad-lab (pyproject.toml)
flask==3.0.3 # via asr
fonttools==4.53.1 # via matplotlib
fqdn==1.5.1 # via jsonschema
gitdb==4.0.11 # via gitpython
gitpython==3.1.43 # via nomad-lab (pyproject.toml)
greenlet==3.0.3 ; (python_full_version < '3.13' and platform_machine == 'AMD64') or (python_full_version < '3.13' and platform_machine == 'WIN32') or (python_full_version < '3.13' and platform_machine == 'aarch64') or (python_full_version < '3.13' and platform_machine == 'amd64') or (python_full_version < '3.13' and platform_machine == 'ppc64le') or (python_full_version < '3.13' and platform_machine == 'win32') or (python_full_version < '3.13' and platform_machine == 'x86_64') # via sqlalchemy
griddataformats==1.0.2 # via mdanalysis
gunicorn==21.2.0 # via nomad-lab (pyproject.toml)
h11==0.14.0 # via httpcore, uvicorn
h5grove==1.3.0 # via nomad-lab (pyproject.toml)
h5py==3.11.0 # via h5grove, phonopy, nomad-lab (pyproject.toml)
hjson==3.1.0 # via nomad-lab (pyproject.toml)
html5lib==1.1 # via nomad-lab (pyproject.toml)
httpcore==1.0.5 # via httpx
httptools==0.6.1 # via uvicorn
httpx==0.27.2 # via python-keycloak, nomad-lab (pyproject.toml)
idna==3.8 # via anyio, email-validator, httpx, jsonschema, requests
imagesize==1.4.1 # via sphinx
importlib-metadata==7.1.0 # via nomad-lab (pyproject.toml)
inflection==0.5.1 # via nomad-lab (pyproject.toml)
isodate==0.6.1 # via rdflib
isoduration==20.11.0 # via jsonschema
itsdangerous==2.2.0 # via flask, nomad-lab (pyproject.toml)
jinja2==3.1.4 # via flask, jupyterhub, sphinx
jmespath==1.0.1 # via nomad-lab (pyproject.toml)
joblib==1.4.2 # via mdanalysis, pymatgen, scikit-learn
jsonpointer==3.0.0 # via jsonschema
jsonschema==4.17.3 # via jupyter-telemetry, oauthenticator, nomad-lab (pyproject.toml)
jupyter-telemetry==0.1.0 # via jupyterhub
jupyterhub==4.0.2 # via dockerspawner, oauthenticator, nomad-lab (pyproject.toml)
jwcrypto==1.5.6 # via python-keycloak
kaleido==0.2.1 # via nomad-lab (pyproject.toml)
kiwisolver==1.4.5 # via matplotlib
kombu==5.4.0 # via celery
lark==1.2.2 # via optimade
latexcodec==3.0.0 # via pybtex
lxml==5.3.0 # via lxml-html-clean, nomad-lab (pyproject.toml)
lxml-html-clean==0.2.0 # via nomad-lab (pyproject.toml)
m2r==0.2.1 # via nomad-lab (pyproject.toml)
mako==1.3.5 # via alembic
markupsafe==2.1.5 # via jinja2, mako, werkzeug
matid==2.1.2 # via nomad-lab (pyproject.toml)
matplotlib==3.9.2 # via ase, asr, mdanalysis, phonopy, pymatgen
mda-xdrlib==0.2.0 # via mdanalysis, pyedr
mdanalysis==2.7.0 # via nomad-lab (pyproject.toml)
mistune==3.0.2 # via m2r
mmtf-python==1.1.3 # via mdanalysis
mongoengine==0.29.0 # via nomad-lab (pyproject.toml)
mongomock==4.1.2 # via optimade
monty==2024.7.30 # via pymatgen
mpmath==1.3.0 # via sympy
mrcfile==1.5.3 # via griddataformats
msgpack==1.0.8 # via mmtf-python, nomad-lab (pyproject.toml)
netcdf4==1.6.5 # via nomad-lab (pyproject.toml)
networkx==3.3 # via matid, pymatgen, nomad-lab (pyproject.toml)
nomad-openbis==1.0.0 # via nomad-lab (pyproject.toml)
nptyping==1.4.4 # via nomad-lab (pyproject.toml)
numpy==1.26.4 # via ase, cftime, contourpy, griddataformats, h5grove, h5py, matid, matplotlib, mdanalysis, mrcfile, netcdf4, nptyping, pandas, phonopy, pyedr, pymatgen, rdkit, scikit-learn, scipy, spglib, tifffile, xarray, nomad-dos-fingerprints (dependencies/nomad-dos-fingerprints/pyproject.toml), nomad-lab (pyproject.toml)
oauthenticator==15.1.0 # via nomad-lab (pyproject.toml)
oauthlib==3.2.2 # via jupyterhub
openpyxl==3.1.5 # via nomad-lab (pyproject.toml)
optimade==0.22.1 # via nomad-lab (pyproject.toml)
orjson==3.10.7 # via h5grove, nomad-lab (pyproject.toml)
packaging==24.1 # via deprecation, gunicorn, jupyterhub, matplotlib, mdanalysis, mongomock, pint, plotly, sphinx, xarray
palettable==3.3.3 # via pymatgen
pamela==1.2.0 ; sys_platform != 'win32' # via jupyterhub
pandas==2.2.2 # via nomad-openbis, panedr, pymatgen, xarray, eelsdbconverter (dependencies/parsers/eelsdb/pyproject.toml), nomad-lab (pyproject.toml)
panedr==0.8.0 # via nomad-lab (pyproject.toml)
parmed==4.2.2 # via nomad-lab (pyproject.toml)
phonopy==2.27.0 # via asr
pillow==10.4.0 # via matplotlib, rdkit
pint==0.17 # via nomad-lab (pyproject.toml)
plotly==5.23.0 # via asr, pymatgen
prometheus-client==0.20.0 # via jupyterhub
prompt-toolkit==3.0.47 # via click-repl
psutil==6.0.0 ; sys_platform == 'win32' # via jupyterhub
pyasn1==0.6.0 # via pyasn1-modules, rfc3161ng
pyasn1-modules==0.4.0 # via rfc3161ng
pybtex==0.24.0 # via pymatgen
pycparser==2.22 ; platform_python_implementation != 'PyPy' # via cffi
pydantic==1.10.18 # via fastapi, optimade, nomad-lab (pyproject.toml)
pyedr==0.8.0 # via panedr
pygments==2.18.0 # via sphinx
pyjwt==2.6.0 # via nomad-lab (pyproject.toml)
pymatgen==2024.5.1 # via asr, nomad-lab (pyproject.toml)
pymongo==4.6.3 # via mongoengine, optimade, nomad-lab (pyproject.toml)
pyopenssl==24.2.1 # via certipy
pyparsing==3.1.4 # via matplotlib, rdflib
pyrsistent==0.20.0 # via jsonschema
python-dateutil==2.9.0.post0 # via arrow, celery, elasticsearch-dsl, jupyterhub, matplotlib, nomad-openbis, pandas, rfc3161ng
python-dotenv==1.0.1 # via uvicorn
python-json-logger==2.0.2 # via jupyter-telemetry, nomad-lab (pyproject.toml)
python-keycloak==4.3.0 # via nomad-lab (pyproject.toml)
python-logstash==0.4.6 # via nomad-lab (pyproject.toml)
python-magic==0.4.24 # via nomad-lab (pyproject.toml)
python-magic-bin==0.4.14 ; sys_platform == 'win32' # via nomad-lab (pyproject.toml)
python-multipart==0.0.9 # via nomad-lab (pyproject.toml)
pytz==2024.1 # via pandas, nomad-lab (pyproject.toml)
pywin32==306 ; sys_platform == 'win32' # via docker
pyyaml==6.0.2 # via phonopy, pybtex, uvicorn, nomad-lab (pyproject.toml)
rdflib==5.0.0 # via nomad-lab (pyproject.toml)
rdkit==2023.9.5 # via nomad-lab (pyproject.toml)
recommonmark==0.7.1 # via nomad-lab (pyproject.toml)
requests==2.31.0 # via docker, jupyterhub, nomad-openbis, oauthenticator, optimade, pymatgen, python-keycloak, requests-toolbelt, rfc3161ng, sphinx, eelsdbconverter (dependencies/parsers/eelsdb/pyproject.toml), nomad-lab (pyproject.toml)
requests-toolbelt==1.0.0 # via python-keycloak
rfc3161ng==2.1.3 # via nomad-lab (pyproject.toml)
rfc3339-validator==0.1.4 # via jsonschema
rfc3987==1.3.8 # via jsonschema
ruamel-yaml==0.18.6 # via jupyter-telemetry, oauthenticator, pymatgen
ruamel-yaml-clib==0.2.8 ; python_full_version < '3.13' and platform_python_implementation == 'CPython' # via ruamel-yaml
runstats==2.0.0 # via nomad-lab (pyproject.toml)
scikit-learn==1.5.1 # via matid, nomad-lab (pyproject.toml)
scipy==1.14.1 # via ase, griddataformats, mdanalysis, pymatgen, scikit-learn, nomad-lab (pyproject.toml)
sentinels==1.0.0 # via mongomock
six==1.16.0 # via basicauth, elasticsearch-dsl, html5lib, isodate, pybtex, python-dateutil, rdflib, rfc3339-validator, validators
smmap==5.0.1 # via gitdb
sniffio==1.3.1 # via anyio, httpx
snowballstemmer==2.2.0 # via sphinx
soupsieve==2.6 # via beautifulsoup4
spglib==2.5.0 # via asr, matid, phonopy, pymatgen
sphinx==8.0.2 # via recommonmark
sphinxcontrib-applehelp==2.0.0 # via sphinx
sphinxcontrib-devhelp==2.0.0 # via sphinx
sphinxcontrib-htmlhelp==2.1.0 # via sphinx
sphinxcontrib-jsmath==1.0.1 # via sphinx
sphinxcontrib-qthelp==2.0.0 # via sphinx
sphinxcontrib-serializinghtml==2.0.0 # via sphinx
sqlalchemy==2.0.32 # via alembic, jupyterhub
starlette==0.27.0 # via fastapi
structlog==24.4.0 # via nomad-lab (pyproject.toml)
sympy==1.13.2 # via pymatgen
tabulate==0.8.9 # via nomad-openbis, pymatgen, nomad-lab (pyproject.toml)
tenacity==9.0.0 # via plotly
texttable==1.7.0 # via nomad-openbis
threadpoolctl==3.5.0 # via mdanalysis, scikit-learn
tifffile==2024.8.28 # via h5grove
toposort==1.10 # via nomad-lab (pyproject.toml)
tornado==6.4.1 # via jupyterhub
tqdm==4.66.5 # via mdanalysis, pyedr, pymatgen
traitlets==5.14.3 # via jupyter-telemetry, jupyterhub
types-python-dateutil==2.9.0.20240821 # via arrow
typing-extensions==4.12.2 # via alembic, fastapi, jwcrypto, pydantic, sqlalchemy
typish==1.9.3 # via nptyping
tzdata==2024.1 # via celery, pandas
uncertainties==3.2.2 # via pymatgen
unidecode==1.3.2 # via nomad-lab (pyproject.toml)
uri-template==1.3.0 # via jsonschema
urllib3==1.26.19 # via docker, elasticsearch, nomad-openbis, requests
uvicorn==0.30.6 # via h5grove, nomad-lab (pyproject.toml)
uvloop==0.20.0 ; platform_python_implementation != 'PyPy' and sys_platform != 'cygwin' and sys_platform != 'win32' # via uvicorn
validators==0.18.2 # via nomad-lab (pyproject.toml)
vine==5.1.0 # via amqp, celery, kombu
watchfiles==0.23.0 # via uvicorn
wcwidth==0.2.13 # via prompt-toolkit
webcolors==24.8.0 # via jsonschema
webencodings==0.5.1 # via html5lib
websockets==13.0 # via uvicorn
werkzeug==3.0.4 # via flask
wrapt==1.16.0 # via nomad-lab (pyproject.toml)
xarray==2024.7.0 # via nomad-lab (pyproject.toml)
zipp==3.20.1 # via importlib-metadata
zipstream-new==1.1.5 # via nomad-lab (pyproject.toml)