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requirements.txt
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requirements.txt
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#
# This file is autogenerated by pip-compile with Python 3.9
# by the following command:
#
# pip-compile --annotation-style=line --extra=infrastructure --extra=parsing --output-file=requirements.txt --resolver=backtracking dependencies/matid/pyproject.toml dependencies/nomad-dos-fingerprints/pyproject.toml dependencies/parsers/atomistic/pyproject.toml dependencies/parsers/database/pyproject.toml dependencies/parsers/eelsdb/pyproject.toml dependencies/parsers/electronic/pyproject.toml dependencies/parsers/nexus/pyproject.toml dependencies/parsers/workflow/pyproject.toml pyproject.toml
#
alabaster==0.7.12 # via sphinx
alembic==1.9.1 # via jupyterhub
amqp==5.1.1 # via kombu
aniso8601==7.0.0 # via nomad-lab (pyproject.toml)
anyio==3.6.2 # via httpcore, starlette, watchfiles
arrow==1.2.3 # via isoduration
asciitree==0.3.3 # via zarr
ase==3.19.0 # via asr, ifes-apt-tc-data-modeling, matid (dependencies/matid/pyproject.toml), nomad-lab (pyproject.toml), quippy-ase
asgiref==3.6.0 # via nomad-lab (pyproject.toml)
asr==0.4.1 # via nomad-lab (pyproject.toml), workflowparsers (dependencies/parsers/workflow/pyproject.toml)
asteval==0.9.31 # via lmfit
astunparse==1.6.3 # via mdtraj
async-generator==1.10 # via jupyterhub
async-timeout==4.0.2 # via redis
attrs==22.2.0 # via cattrs, jsonschema, requests-cache
babel==2.11.0 # via sphinx
backcall==0.2.0 # via ipython
bagit==1.8.1 # via nomad-lab (pyproject.toml)
basicauth==0.4.1 # via nomad-lab (pyproject.toml)
bcrypt==3.2.0 # via nomad-lab (pyproject.toml)
beautifulsoup4==4.11.1 # via bs4
billiard==3.6.4.0 # via celery
biopython==1.80 # via mdanalysis
bitarray==2.3.5 # via nomad-dos-fingerprints (dependencies/nomad-dos-fingerprints/pyproject.toml), nomad-lab (pyproject.toml)
bs4==0.0.1 # via nomad-lab (pyproject.toml)
cachetools==4.2.4 # via nomad-lab (pyproject.toml)
cattrs==22.2.0 # via requests-cache
celery[redis]==5.2.7 # via celery, nomad-lab (pyproject.toml)
certifi==2022.12.7 # via elasticsearch, httpcore, httpx, requests
certipy==0.1.3 # via jupyterhub
cffi==1.15.1 # via bcrypt, cryptography
cftime==1.6.2 # via netcdf4
charset-normalizer==2.0.12 # via requests
click==8.1.3 # via asr, celery, click-didyoumean, click-plugins, click-repl, flask, nomad-lab (pyproject.toml), pynxtools (dependencies/parsers/nexus/pyproject.toml), uvicorn
click-didyoumean==0.3.0 # via celery
click-plugins==1.1.1 # via celery
click-repl==0.2.0 # via celery
cloudpickle==2.2.0 # via dask
comm==0.1.4 # via ipywidgets
commonmark==0.9.1 # via recommonmark
cryptography==39.0.0 # via nomad-lab (pyproject.toml), pyjwt, pyopenssl, rfc3161ng
cycler==0.11.0 # via matplotlib
dask[array]==2022.2.0 # via dask, hyperspy, kikuchipy, orix, pyxem
debugpy==1.6.5 # via ipykernel
decorator==5.1.1 # via ipyparallel, ipython, validators
diffpy-structure==3.1.0 # via diffsims, kikuchipy, orix
diffsims==0.5.2 # via kikuchipy, pyxem
dill==0.3.6 # via hyperspy
dnspython==2.2.1 # via email-validator, pymongo
docker==6.0.1 # via dockerspawner
dockerspawner==12.1.0 # via nomad-lab (pyproject.toml)
docstring-parser==0.12 # via nomad-lab (pyproject.toml)
docutils==0.19 # via m2r, recommonmark, sphinx
ecdsa==0.18.0 # via python-jose
elasticsearch==7.17.1 # via elasticsearch-dsl, nomad-lab (pyproject.toml)
elasticsearch-dsl==7.4.0 # via nomad-lab (pyproject.toml)
email-validator==1.3.0 # via optimade
emmet-core==0.48.4 # via mp-api
entrypoints==0.4 # via ipyparallel, jupyter-client, jupyterhub, numcodecs
escapism==1.0.1 # via dockerspawner
et-xmlfile==1.1.0 # via openpyxl
exceptiongroup==1.1.1 # via cattrs
f90wrap==0.2.13 # via quippy-ase
fabio==2023.6.0 # via pyfai, silx
fastapi==0.92.0 # via h5grove, nomad-lab (pyproject.toml)
fasteners==0.18 # via mdanalysis, zarr
filelock==3.3.1 # via nomad-lab (pyproject.toml)
flask==2.2.2 # via asr
flatdict==4.0.1 # via pynxtools (dependencies/parsers/nexus/pyproject.toml)
fonttools==4.38.0 # via matplotlib
fqdn==1.5.1 # via jsonschema
fsspec==2022.11.0 # via dask, hyperspy
future==0.18.2 # via uncertainties
gitdb==4.0.10 # via gitpython
gitpython==3.1.24 # via nomad-lab (pyproject.toml), pynxtools (dependencies/parsers/nexus/pyproject.toml)
greenlet==2.0.1 # via sqlalchemy
griddataformats==0.7.0 # via mdanalysis
gsd==2.7.0 # via mdanalysis
gunicorn==21.2.0 # via nomad-lab (pyproject.toml)
h11==0.14.0 # via httpcore, uvicorn
h5grove[fastapi]==1.3.0 # via h5grove, nomad-lab (pyproject.toml)
h5py==3.6.0 # via electronicparsers (dependencies/parsers/electronic/pyproject.toml), h5grove, hyperspy, ifes-apt-tc-data-modeling, kikuchipy, nionswift, nomad-lab (pyproject.toml), orix, phonopy, pyfai, silx
hjson==3.0.2 # via nomad-lab (pyproject.toml)
html5lib==1.1 # via nomad-lab (pyproject.toml)
httpcore==0.16.3 # via httpx
httptools==0.5.0 # via uvicorn
httpx==0.23.3 # via nomad-lab (pyproject.toml)
hyperspy==1.7.5 # via kikuchipy, pynxtools (dependencies/parsers/nexus/pyproject.toml), pyxem
idna==3.4 # via anyio, email-validator, jsonschema, requests, rfc3986
ifes-apt-tc-data-modeling==0.0.9 # via pynxtools (dependencies/parsers/nexus/pyproject.toml)
imageio==2.24.0 # via hyperspy, kikuchipy, nionswift, nionswift-io, nionui, scikit-image
imagesize==1.4.1 # via sphinx
importlib-metadata==4.13.0 # via flask, hyperspy, nomad-lab (pyproject.toml), pynxtools (dependencies/parsers/nexus/pyproject.toml), sphinx
inflection==0.5.1 # via nomad-lab (pyproject.toml)
ipykernel==6.16.2 # via ipyparallel
ipyparallel==8.4.1 # via hyperspy
ipython==7.34.0 # via hyperspy, ipykernel, ipyparallel, ipywidgets
ipywidgets==8.1.1 # via pyxem
isodate==0.6.1 # via rdflib
isoduration==20.11.0 # via jsonschema
itsdangerous==2.1.2 # via flask, nomad-lab (pyproject.toml)
jedi==0.18.2 # via ipython
jinja2==3.0.3 # via flask, hyperspy, jupyterhub, sphinx
jmespath==0.10.0 # via nomad-lab (pyproject.toml)
joblib==1.1.0 # via mdanalysis, nomad-lab (pyproject.toml), scikit-learn
jsonpointer==2.3 # via jsonschema
jsonschema[format]==4.17.3 # via jsonschema, jupyter-telemetry, nomad-lab (pyproject.toml), oauthenticator
jupyter-client==7.4.8 # via ipykernel, ipyparallel
jupyter-core==4.12.0 # via jupyter-client
jupyter-telemetry==0.1.0 # via jupyterhub
jupyterhub==1.4.2 # via dockerspawner, nomad-lab (pyproject.toml), oauthenticator
jupyterlab-widgets==3.0.9 # via ipywidgets
kikuchipy==0.8.7 # via pynxtools (dependencies/parsers/nexus/pyproject.toml)
kiwisolver==1.4.4 # via matplotlib
kombu==5.2.4 # via celery
lark==1.1.5 # via optimade, pynxtools (dependencies/parsers/nexus/pyproject.toml)
latexcodec==2.0.1 # via pybtex
llvmlite==0.39.1 # via numba
lmfit==1.2.2 # via pyxem
locket==1.0.0 # via partd
lxml==4.7.1 # via atomisticparsers (dependencies/parsers/atomistic/pyproject.toml), nomad-lab (pyproject.toml)
m2r==0.2.1 # via nomad-lab (pyproject.toml)
mako==1.2.4 # via alembic
markupsafe==2.1.1 # via jinja2, mako, werkzeug
matplotlib==3.5.3 # via ase, asr, diffsims, hyperspy, kikuchipy, matplotlib-scalebar, mdanalysis, orix, phonopy, pyfai, pymatgen, pyxem, radioactivedecay
matplotlib-inline==0.1.6 # via ipykernel, ipython
matplotlib-scalebar==0.8.1 # via orix
mdanalysis==2.5.0 # via atomisticparsers (dependencies/parsers/atomistic/pyproject.toml), nomad-lab (pyproject.toml)
mdtraj==1.9.6 # via nomad-lab (pyproject.toml)
memoization==0.4.0 # via nomad-lab (pyproject.toml)
mergedeep==1.3.4 # via pynxtools (dependencies/parsers/nexus/pyproject.toml)
mistune==2.0.4 # via m2r
mmtf-python==1.1.3 # via mdanalysis
mongoengine==0.25.0 # via nomad-lab (pyproject.toml)
mongomock==4.1.2 # via optimade
monty==2022.9.9 # via emmet-core, mp-api, pymatgen
mp-api==0.30.10 # via pymatgen
mpmath==1.2.1 # via sympy
mrcfile==1.4.3 # via griddataformats
msgpack==1.0.4 # via mmtf-python, mp-api, nomad-lab (pyproject.toml)
natsort==8.2.0 # via hyperspy
nest-asyncio==1.5.6 # via ipykernel, jupyter-client
netcdf4==1.5.4 # via electronicparsers (dependencies/parsers/electronic/pyproject.toml), nomad-lab (pyproject.toml)
networkx==2.6.3 # via matid (dependencies/matid/pyproject.toml), mdanalysis, nomad-lab (pyproject.toml), pymatgen, radioactivedecay, scikit-image
niondata==0.15.5 # via nionswift, nionswift-io
nionswift==0.16.8 # via pynxtools (dependencies/parsers/nexus/pyproject.toml)
nionswift-io==0.15.1 # via nionswift
nionui==0.6.11 # via nionswift
nionutils==0.4.8 # via niondata, nionswift, nionswift-io, nionui
nptyping==1.4.4 # via nomad-lab (pyproject.toml)
numba==0.56.4 # via diffsims, hyperspy, kikuchipy, orix, pyxem, sparse
numcodecs==0.10.2 # via zarr
numexpr==2.8.4 # via hyperspy, pyfai
numpy==1.22.4 # via ase, biopython, cftime, dask, diffsims, f90wrap, fabio, griddataformats, gsd, h5grove, h5py, hyperspy, ifes-apt-tc-data-modeling, imageio, kikuchipy, lmfit, matid (dependencies/matid/pyproject.toml), matplotlib, mdanalysis, mdtraj, mrcfile, netcdf4, niondata, nionswift, nionswift-io, nionui, nomad-lab (pyproject.toml), nptyping, numba, numcodecs, numexpr, numpy-quaternion, orix, pandas, phonopy, pyfai, pymatgen, pywavelets, pyxem, quippy-ase, radioactivedecay, scikit-image, scikit-learn, scipy, silx, sparse, spglib, tifffile, xarray, zarr
numpy-quaternion==2022.4.3 # via orix
oauthenticator==15.1.0 # via nomad-lab (pyproject.toml)
oauthlib==3.2.2 # via jupyterhub
openpyxl==3.1.2 # via nomad-lab (pyproject.toml)
optimade[mongo]==0.22.1 # via nomad-lab (pyproject.toml), optimade
orix==0.11.1 # via diffsims, kikuchipy, pyxem
orjson==3.9.4 # via h5grove, nomad-lab (pyproject.toml)
packaging==23.0 # via dask, docker, gunicorn, hyperspy, ipykernel, matplotlib, mdanalysis, mongomock, pint, pooch, scikit-image, sphinx
palettable==3.3.0 # via pymatgen
pamela==1.0.0 # via jupyterhub
pandas==1.3.5 # via eelsdbconverter (dependencies/parsers/eelsdb/pyproject.toml), ifes-apt-tc-data-modeling, nomad-lab (pyproject.toml), panedr, pymatgen, xarray
panedr==0.2 # via atomisticparsers (dependencies/parsers/atomistic/pyproject.toml), nomad-lab (pyproject.toml)
parmed==3.0.0 # via nomad-lab (pyproject.toml)
parso==0.8.3 # via jedi
partd==1.3.0 # via dask
passlib==1.7.4 # via nomad-lab (pyproject.toml)
pexpect==4.8.0 # via ipython
phonopy==2.11.0 # via asr, nomad-lab (pyproject.toml), workflowparsers (dependencies/parsers/workflow/pyproject.toml)
pickleshare==0.7.5 # via ipython
pillow==9.4.0 # via imageio, matplotlib, nionswift, scikit-image
pint==0.17 # via hyperspy, nomad-lab (pyproject.toml)
platformdirs==3.1.1 # via pooch, requests-cache
plotly==5.11.0 # via asr, pymatgen
pooch==1.7.0 # via kikuchipy, orix
prettytable==3.6.0 # via hyperspy
prometheus-client==0.15.0 # via jupyterhub
prompt-toolkit==3.0.36 # via click-repl, ipython
psutil==5.9.4 # via diffsims, ipykernel, ipyparallel, pyxem
ptyprocess==0.7.0 # via pexpect
pyasn1==0.4.8 # via pyasn1-modules, python-jose, rfc3161ng, rsa
pyasn1-modules==0.2.8 # via rfc3161ng
pybtex==0.24.0 # via emmet-core, pymatgen
pycifrw==4.4.5 # via diffpy-structure
pycparser==2.21 # via cffi
pydantic==1.10.9 # via emmet-core, fastapi, nomad-lab (pyproject.toml), optimade
pyfai==2023.9.0 # via pyxem
pygments==2.14.0 # via ipython, sphinx
pyjwt[crypto]==2.6.0 # via nomad-lab (pyproject.toml), pyjwt
pymatgen==2023.2.28 # via asr, emmet-core, mp-api, nomad-lab (pyproject.toml)
pymongo==4.3.3 # via mongoengine, nomad-lab (pyproject.toml), optimade
pyopenssl==23.0.0 # via certipy
pyparsing==3.0.9 # via matplotlib, mdtraj, rdflib
pyrsistent==0.19.3 # via jsonschema
python-dateutil==2.8.2 # via arrow, elasticsearch-dsl, hyperspy, ipyparallel, jupyter-client, jupyterhub, matplotlib, pandas, rfc3161ng
python-dotenv==0.21.0 # via uvicorn
python-jose==3.3.0 # via python-keycloak
python-json-logger==2.0.2 # via jupyter-telemetry, nomad-lab (pyproject.toml)
python-keycloak==0.26.1 # 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-multipart==0.0.5 # via nomad-lab (pyproject.toml)
pytz==2022.7.1 # via babel, celery, nionswift, nomad-lab (pyproject.toml), pandas, pynxtools (dependencies/parsers/nexus/pyproject.toml)
pytz-deprecation-shim==0.1.0.post0 # via tzlocal
pywavelets==1.3.0 # via scikit-image
pyxem==0.15.1 # via pynxtools (dependencies/parsers/nexus/pyproject.toml)
pyyaml==6.0 # via dask, electronicparsers (dependencies/parsers/electronic/pyproject.toml), hyperspy, kikuchipy, nomad-lab (pyproject.toml), phonopy, pybtex, uvicorn
pyzeo==0.1.4 # via nomad-lab (pyproject.toml)
pyzmq==25.0.0 # via ipykernel, ipyparallel, jupyter-client
quippy-ase==0.9.14 # via nomad-lab (pyproject.toml)
radioactivedecay==0.4.17 # via ifes-apt-tc-data-modeling
rdflib==5.0.0 # via nomad-lab (pyproject.toml)
recommonmark==0.7.1 # via nomad-lab (pyproject.toml)
redis==4.4.2 # via celery
requests==2.28.2 # via docker, eelsdbconverter (dependencies/parsers/eelsdb/pyproject.toml), hyperspy, jupyterhub, mp-api, nomad-lab (pyproject.toml), oauthenticator, optimade, pooch, pymatgen, python-keycloak, requests-cache, rfc3161ng, sphinx
requests-cache==1.0.1 # via pynxtools (dependencies/parsers/nexus/pyproject.toml)
rfc3161ng==2.1.3 # via nomad-lab (pyproject.toml)
rfc3339-validator==0.1.4 # via jsonschema
rfc3986[idna2008]==1.5.0 # via httpx, rfc3986
rfc3987==1.3.8 # via jsonschema
rsa==4.9 # via python-jose
ruamel-yaml==0.17.21 # via jupyter-telemetry, oauthenticator, pymatgen
ruamel-yaml-clib==0.2.7 # via ruamel-yaml
runstats==2.0.0 # via nomad-lab (pyproject.toml)
scikit-image==0.19.3 # via hyperspy, kikuchipy, pyxem
scikit-learn==1.0.2 # via kikuchipy, matid (dependencies/matid/pyproject.toml), nomad-lab (pyproject.toml), pyxem
scipy==1.7.1 # via ase, diffsims, griddataformats, hyperspy, kikuchipy, lmfit, matid (dependencies/matid/pyproject.toml), mdanalysis, mdtraj, niondata, nionswift, nomad-lab (pyproject.toml), orix, pyfai, pymatgen, pyxem, radioactivedecay, scikit-image, scikit-learn, sparse
sentinels==1.0.0 # via mongomock
silx==1.1.2 # via pyfai
six==1.16.0 # via astunparse, basicauth, bcrypt, click-repl, diffpy-structure, ecdsa, elasticsearch-dsl, griddataformats, html5lib, isodate, latexcodec, pybtex, python-dateutil, python-multipart, rdflib, rfc3339-validator, url-normalize, validators
smmap==5.0.0 # via gitdb
sniffio==1.3.0 # via anyio, httpcore, httpx
snowballstemmer==2.2.0 # via sphinx
soupsieve==2.3.2.post1 # via beautifulsoup4
sparse==0.13.0 # via hyperspy
spglib==2.0.2 # via asr, emmet-core, matid (dependencies/matid/pyproject.toml), phonopy, pymatgen
sphinx==5.3.0 # via recommonmark
sphinxcontrib-applehelp==1.0.2 # via sphinx
sphinxcontrib-devhelp==1.0.2 # via sphinx
sphinxcontrib-htmlhelp==2.0.0 # via sphinx
sphinxcontrib-jsmath==1.0.1 # via sphinx
sphinxcontrib-qthelp==1.0.3 # via sphinx
sphinxcontrib-serializinghtml==1.1.5 # via sphinx
sqlalchemy==1.4.46 # via alembic, jupyterhub
starlette==0.25.0 # via fastapi
structlog==22.3.0 # via nomad-lab (pyproject.toml)
sympy==1.10.1 # via hyperspy, pymatgen, radioactivedecay
tabulate==0.8.9 # via nomad-lab (pyproject.toml), pymatgen
tenacity==8.1.0 # via plotly
threadpoolctl==3.1.0 # via mdanalysis, scikit-learn
tifffile==2021.11.2 # via h5grove, hyperspy, scikit-image
toolz==0.12.0 # via dask, hyperspy, partd
toposort==1.9 # via nomad-lab (pyproject.toml)
tornado==6.2 # via ipykernel, ipyparallel, jupyter-client, jupyterhub
tqdm==4.64.1 # via diffsims, hyperspy, ipyparallel, kikuchipy, mdanalysis, orix, pymatgen
traitlets==5.8.1 # via comm, ipykernel, ipyparallel, ipython, ipywidgets, jupyter-client, jupyter-core, jupyter-telemetry, jupyterhub, matplotlib-inline
traits==6.4.1 # via hyperspy
transforms3d==0.4.1 # via diffsims, pyxem
typing-extensions==4.4.0 # via emmet-core, gitpython, mp-api, numcodecs, pydantic, starlette
typish==1.9.3 # via nptyping
tzdata==2023.3 # via pytz-deprecation-shim
tzlocal==4.3 # via nionswift, pynxtools (dependencies/parsers/nexus/pyproject.toml)
uncertainties==3.1.7 # via lmfit, pymatgen
unidecode==1.3.2 # via nomad-lab (pyproject.toml)
uri-template==1.2.0 # via jsonschema
url-normalize==1.4.3 # via requests-cache
urllib3==1.26.14 # via docker, elasticsearch, requests, requests-cache
uvicorn[standard]==0.20.0 # via h5grove, nomad-lab (pyproject.toml)
uvloop==0.17.0 # via uvicorn
validators==0.18.2 # via nomad-lab (pyproject.toml)
vine==5.0.0 # via amqp, celery, kombu
watchfiles==0.18.1 # via uvicorn
wcwidth==0.2.5 # via prettytable, prompt-toolkit
webcolors==1.12 # via jsonschema
webencodings==0.5.1 # via html5lib
websocket-client==1.4.2 # via docker
websockets==10.4 # via uvicorn
werkzeug==2.2.2 # via flask
wheel==0.38.4 # via astunparse
widgetsnbextension==4.0.9 # via ipywidgets
wrapt==1.12.1 # via nomad-lab (pyproject.toml)
xarray==0.20.2 # via nomad-lab (pyproject.toml), pynxtools (dependencies/parsers/nexus/pyproject.toml)
zarr==2.12.0 # via hyperspy
zipfile37==0.1.3 # via pynxtools (dependencies/parsers/nexus/pyproject.toml)
zipp==3.11.0 # via importlib-metadata
zipstream-new==1.1.5 # via nomad-lab (pyproject.toml)
# The following packages are considered to be unsafe in a requirements file:
# setuptools