Slow pip installation when upgrading from older QeApp version

[danielhollas]

(NOTE: it's not clear what the root cause is, so opening this issue in QeApp repo now)

          @danielhollas @unkcpz thanks for the feedback. In a fresh docker container, run `pip install -e .`, which works. 

container with issue

$ pip list | grep optimade
ipyoptimade                   0.2.0
optimade                      1.0.3
optimade-client               2022.9.19

fresh container

$ pip list | grep optimade
ipyoptimade                   0.1.1
optimade                      0.25.5
optimade-client               2022.9.19

I reinstalled the ipyoptimade with 0.1.1, and it solved the problem.
Should I create an issue for ipyoptimade==0.2.0, or do you already know this, and it's not an issue?

Originally posted by @superstar54 in #632 (comment)

[danielhollas]

I've tried to reproduce in a fresh container

1. Install released version with aiidalab install quantum-espresso
2. Switch to main branch cd apps/quantum-espresso && git switch main
3. pip install -e .

In my case the installation proceeded without issues. Here's the end of the stdout

Installing collected packages: tzdata, requests, lark, pandas, optimade, CacheControl, ipyoptimade, aiidalab-widgets-base, aiidalab_qe
  Attempting uninstall: requests
    Found existing installation: requests 2.28.1
    Uninstalling requests-2.28.1:
      Successfully uninstalled requests-2.28.1
  Attempting uninstall: pandas
    Found existing installation: pandas 1.5.3
    Uninstalling pandas-1.5.3:
      Successfully uninstalled pandas-1.5.3
  Attempting uninstall: optimade
    Found existing installation: optimade 0.18.0
    Uninstalling optimade-0.18.0:
      Successfully uninstalled optimade-0.18.0
  Attempting uninstall: CacheControl
    Found existing installation: CacheControl 0.12.14
    Uninstalling CacheControl-0.12.14:
      Successfully uninstalled CacheControl-0.12.14
  Attempting uninstall: aiidalab-widgets-base
    Found existing installation: aiidalab_widgets_base 2.1.0
    Uninstalling aiidalab_widgets_base-2.1.0:
      Successfully uninstalled aiidalab_widgets_base-2.1.0
  Attempting uninstall: aiidalab_qe
    Found existing installation: aiidalab_qe 23.10.2
    Uninstalling aiidalab_qe-23.10.2:
      Successfully uninstalled aiidalab_qe-23.10.2
ERROR: pip's dependency resolver does not currently take into account all the packages that are installed. This behaviour is the source of the following dependency conflicts.
optimade-client 2022.9.19 requires cachecontrol[filecache]~=0.12.11, but you have cachecontrol 0.13.1 which is incompatible.
optimade-client 2022.9.19 requires optimade~=0.18.0, but you have optimade 0.25.5 which is incompatible.
optimade-client 2022.9.19 requires pandas~=1.3, but you have pandas 2.2.1 which is incompatible.
Successfully installed CacheControl-0.13.1 aiidalab-widgets-base-2.2.0a0 aiidalab_qe-24.4.0a2 ipyoptimade-0.1.1 lark-1.1.9 optimade-0.25.5 pandas-2.2.1 requests-2.31.0 tzdata-2024.1

@superstar54 can you provide the full output of pip list?

[danielhollas]

Or even better, to show the dependency tree using pip-compile

pip install --user pip-tools
pip freeze --user | pip compile --output-file packages.txt -

(this might take a while)

[superstar54]

Hi @danielhollas , here is the output from pip list

Package                       Version      Editable project location
----------------------------- ------------ --------------------------------------------------
accessible-pygments           0.0.4
aiida-archive-inspect         0.0.1        /home/jovyan/apps/aiida-archive-inspect
aiida-atomistic               0.1.0a0
aiida-bader                   0.0.1        /home/jovyan/repos/superstar54/aiida-bader
aiida-core                    2.4.1
aiida-cp2k                    2.0.0
aiida-gaussian-datatypes      0.5.1
aiida-musconv                 0.0.1
aiida-phonopy                 1.1.3
aiida-pseudo                  1.4.0
aiida-quantumespresso         4.4.0
aiida-vibroscopy              1.0.2
aiida-worktree                0.0.5.2
aiidalab                      23.3.0
aiidalab-eln                  0.1.2
aiidalab-home                 23.3.1
aiidalab-mfa-cscs             -v2023.1001-
aiidalab_qe                   24.4.0a2     /home/jovyan/apps/aiidalab-qe
aiidalab-qe-vibroscopy        0.0.1        /home/jovyan/repos/aiidalab/aiidalab-qe-vibroscopy
aiidalab-qe-workchain         23.4.5
aiidalab_widgets_base         2.2.0a0
aio-pika                      6.8.1
aiormq                        3.3.1
alabaster                     0.7.13
alembic                       1.8.1
amqp                          5.1.1
annotated-types               0.6.0
ansi2html                     1.8.0
anyio                         3.6.1
appdirs                       1.4.4
appmode                       0.8.0
archive-path                  0.4.2
argon2-cffi                   21.3.0
argon2-cffi-bindings          21.2.0
ase                           3.22.1
asn1crypto                    1.5.1
astroid                       2.15.8
asttokens                     2.0.8
async-generator               1.10
attrs                         22.1.0
Babel                         2.10.3
backcall                      0.2.0
backports.functools-lru-cache 1.6.4
bcrypt                        3.2.2
beautifulsoup4                4.11.1
billiard                      4.1.0
bleach                        5.0.1
blinker                       1.6.2
bokeh                         2.4.3
brotlipy                      0.7.0
build                         1.0.3
bumpver                       2023.1125
CacheControl                  0.13.1
cachetools                    4.2.4
cattrs                        22.2.0
celery                        5.3.1
certifi                       2023.5.7
certipy                       0.1.3
cffi                          1.15.1
cfgv                          3.3.1
charset-normalizer            2.1.1
cheminfopy                    0.9.0
circus                        0.18.0
click                         8.1.3
click-didyoumean              0.3.0
click-plugins                 1.1.1
click-repl                    0.3.0
click-spinner                 0.1.10
cloudpickle                   2.2.1
colorama                      0.4.5
conda                         22.9.0
conda-package-handling        1.9.0
contourpy                     1.1.0
coverage                      7.2.7
cp2k-input-tools              0.8.2
cp2k-output-tools             0.5.0
cryptography                  40.0.2
cycler                        0.11.0
dacite                        1.8.0
dataclasses                   0.8
debugpy                       1.6.3
decorator                     5.1.1
defusedxml                    0.7.1
deprecation                   2.1.0
dill                          0.3.8
disk-objectstore              0.6.0
distlib                       0.3.7
dnspython                     2.4.0
docstring-parser              0.15
docutils                      0.20.1
dulwich                       0.21.5
elementpath                   2.5.3
email_validator               2.1.1
emmet-core                    0.60.2
entrypoints                   0.4
exceptiongroup                1.1.1
executing                     1.1.1
fastapi                       0.100.0
fastjsonschema                2.16.2
filelock                      3.12.2
Flask                         2.3.2
flit_core                     3.7.1
fonttools                     4.41.0
future                        0.18.3
get-annotations               0.1.2
graphviz                      0.20.1
greenlet                      1.1.3
gunicorn                      21.2.0
h11                           0.14.0
h5py                          3.10.0
httpcore                      0.17.3
humanfriendly                 10.0
humanize                      4.8.0
identify                      2.5.25
idna                          3.4
imageio                       2.33.0
imagesize                     1.4.1
importlib-metadata            4.13.0
importlib-resources           5.10.0
iniconfig                     2.0.0
ipykernel                     6.16.0
ipympl                        0.9.3
ipyoptimade                   0.2.0
ipython                       7.33.0
ipython-genutils              0.2.0
ipytree                       0.2.2
ipywidgets                    7.7.4
ipywidgets-extended           1.1.1
isort                         5.13.2
itsdangerous                  2.1.2
jedi                          0.18.1
Jinja2                        3.1.2
joblib                        1.3.1
json5                         0.9.5
jsonpointer                   2.3
jsonref                       0.2
jsonschema                    3.2.0
jupyter_client                7.3.5
jupyter_core                  4.11.1
jupyter-server                1.19.1
jupyter-telemetry             0.1.0
jupyterhub                    3.0.0
jupyterlab                    3.4.8
jupyterlab-pygments           0.2.2
jupyterlab_server             2.15.2
jupyterlab-widgets            1.1.4
kiwipy                        0.7.7
kiwisolver                    1.4.4
kombu                         5.3.1
lark                          1.1.8
lark-parser                   0.12.0
latexcodec                    2.0.1
lazy_loader                   0.3
lazy-object-proxy             1.10.0
lexid                         2021.1006
libmambapy                    1.4.2
livereload                    2.6.3
lockfile                      0.12.2
loguru                        0.7.0
looseversion                  1.3.0
Mako                          1.2.3
mamba                         1.4.2
Markdown                      3.4.3
MarkupSafe                    2.0.1
matplotlib                    3.7.2
matplotlib-inline             0.1.6
mccabe                        0.7.0
mistune                       2.0.4
mongoengine                   0.27.0
monty                         2023.5.8
more-itertools                8.14.0
mp-api                        0.33.3
mpmath                        1.3.0
msgpack                       1.0.5
muesr                         0.1.2
mulfc                         0.0.3
multidict                     6.0.4
musconv                       0.0.2
natsort                       8.4.0
nbclassic                     0.4.5
nbclient                      0.7.0
nbconvert                     7.2.1
nbformat                      5.6.1
nest-asyncio                  1.5.6
networkx                      3.1
nglview                       3.0.6
node-graph                    0.0.3
nodeenv                       1.8.0
notebook                      6.4.12
notebook-shim                 0.1.0
numpy                         1.24.3
oauthlib                      3.2.1
optimade                      1.0.3
optimade-client               2022.9.19
outcome                       1.2.0
packaging                     21.3
palettable                    3.3.3
pamela                        1.0.0
pamqp                         2.3.0
pandas                        2.2.1
pandocfilters                 1.5.0
paramiko                      2.12.0
parso                         0.8.3
pathlib2                      2.3.7.post1
pexpect                       4.8.0
pg8000                        1.30.1
pgsu                          0.2.3
pgtest                        1.3.1
phonopy                       2.20.0
pickleshare                   0.7.5
Pillow                        10.0.0
Pint                          0.16.1
pip                           23.0.1
pip-tools                     7.4.1
pkgutil_resolve_name          1.3.10
platformdirs                  3.9.1
plotly                        5.15.0
pluggy                        1.2.0
plumpy                        0.21.7
pre-commit                    2.21.0
prometheus-client             0.14.1
prompt-toolkit                3.0.39
psutil                        5.9.2
psycopg2                      2.9.3
psycopg2-binary               2.9.3
ptyprocess                    0.7.0
pure-eval                     0.2.2
py                            1.11.0
pybtex                        0.24.0
PyCifRW                       4.4.5
pycosat                       0.6.3
pycparser                     2.21
pycurl                        7.45.1
pydantic                      2.6.4
pydantic_core                 2.16.3
pydantic-settings             2.2.1
pydata-sphinx-theme           0.13.3
Pygments                      2.13.0
PyJWT                         2.5.0
pylint                        2.17.7
pylint_aiida                  0.1.1
pymatgen                      2023.9.25
pymatgen-analysis-defects     2023.10.19
pymongo                       4.4.1
PyMySQL                       0.9.3
PyNaCl                        1.5.0
pyOpenSSL                     23.1.1
pyparsing                     3.0.9
pyproject_hooks               1.0.0
pyrsistent                    0.18.1
PySocks                       1.7.1
pytest                        6.2.5
pytest-base-url               2.0.0
pytest-cov                    4.1.0
pytest-datadir                1.4.1
pytest-docker                 1.0.1
pytest-html                   3.2.0
pytest-metadata               2.0.4
pytest-regressions            2.4.2
pytest-selenium               4.0.1
pytest-variables              2.0.0
python-dateutil               2.8.2
python-dotenv                 1.0.0
python-json-logger            2.0.1
pytojcamp                     0.1.0
pytray                        0.3.4
pytz                          2021.3
PyYAML                        6.0
pyzmq                         24.0.1
qe-tools                      2.0.0
regex                         2021.11.10
requests                      2.31.0
requests-cache                0.9.8
requests-mock                 1.10.0
rfc3987                       1.3.8
ruamel.yaml                   0.17.21
ruamel.yaml.clib              0.2.6
ruamel-yaml-conda             0.15.80
scikit-image                  0.22.0
scinode                       0.3.5
scipy                         1.11.1
scramp                        1.4.4
seekpath                      1.9.7
selenium                      4.7.2
semver                        3.0.2
Send2Trash                    1.8.0
setuptools                    65.4.1
shortuuid                     1.0.11
six                           1.16.0
sniffio                       1.3.0
snowballstemmer               2.2.0
sortedcontainers              2.4.0
soupsieve                     2.3.2.post1
spglib                        2.1.0
Sphinx                        7.1.2
sphinx-autobuild              2021.3.14
sphinx_design                 0.5.0
sphinxcontrib-applehelp       1.0.7
sphinxcontrib-devhelp         1.0.5
sphinxcontrib-htmlhelp        2.0.4
sphinxcontrib-jsmath          1.0.1
sphinxcontrib-qthelp          1.0.6
sphinxcontrib-serializinghtml 1.1.8
SQLAlchemy                    1.4.50
stack-data                    0.5.1
starlette                     0.27.0
strict-rfc3339                0.7
sympy                         1.12
tabulate                      0.8.10
tenacity                      8.2.2
termcolor                     2.3.0
terminado                     0.16.0
tifffile                      2023.9.26
tinycss2                      1.1.1
toml                          0.10.2
tomli                         2.0.1
tomlkit                       0.12.4
toolz                         0.12.0
tornado                       6.2
tqdm                          4.64.1
traitlets                     5.9.0
transitions                   0.7.2
trio                          0.22.2
trio-websocket                0.10.3
typing_extensions             4.7.1
tzdata                        2023.3
ujson                         5.7.0
uncertainties                 3.1.7
upf-to-json                   0.9.2
url-normalize                 1.4.3
urllib3                       1.26.11
uvicorn                       0.24.0.post1
Vapory                        0.1.2
vine                          5.0.0
virtualenv                    20.24.1
voluptuous                    0.14.1
watchdog                      2.3.1
wcwidth                       0.2.5
webcolors                     1.13
webdriver-manager             3.9.1
webencodings                  0.5.1
websocket-client              1.4.1
Werkzeug                      2.3.6
wheel                         0.37.1
widget-bandsplot              0.5.1
widget_periodictable          3.1.1
widgetsnbextension            3.6.2
wrapt                         1.15.0
wsproto                       1.2.0
xmlschema                     1.11.3
yarl                          1.9.1
zipp                          3.9.0

Here is the output from pip freeze --user > packages.txt

aiidalab-eln==0.1.2
aiidalab-mfa-cscs===-v2023.1001-
aiidalab-qe-workchain @ https://github.com/aiidalab/aiidalab-qe/releases/download/v23.04.5/aiidalab_qe_workchain-23.4.5-py3-none-any.whl
ansi2html==1.8.0
ase==3.22.1
bokeh==2.4.3
cheminfopy==0.9.0
contourpy==1.1.0
cycler==0.11.0
dnspython==2.4.0
emmet-core==0.60.2
fastapi==0.100.0
filelock==3.12.2
fonttools==4.41.0
future==0.18.3
h11==0.14.0
httpcore==0.17.3
humanfriendly==10.0
humanize==4.8.0
ipympl==0.9.3
ipytree==0.2.2
ipywidgets-extended==1.1.1
joblib==1.3.1
kiwisolver==1.4.4
lark-parser==0.12.0
latexcodec==2.0.1
lockfile==0.12.2
loguru==0.7.0
matplotlib==3.7.2
monty==2023.5.8
more-itertools==8.14.0
mp-api==0.33.3
mpmath==1.3.0
natsort==8.4.0
networkx==3.1
nglview==3.0.6
palettable==3.3.3
Pillow==10.0.0
Pint==0.16.1
pip-tools==7.4.1
plotly==5.15.0
pybtex==0.24.0
PyCifRW==4.4.5
PyMySQL==0.9.3
pytojcamp==0.1.0
qe-tools==2.0.0
scipy==1.11.1
seekpath==1.9.7
starlette==0.27.0
sympy==1.12
tenacity==8.2.2
typing_extensions==4.7.1
uncertainties==3.1.7
Vapory==0.1.2
widget-bandsplot==0.5.1
widget_periodictable==3.1.1

I got an error when I run your command pip freeze --user | pip compile --output-file packages.txt -

[danielhollas]

Thanks, Yeah there's a lot going on there. Is your current environment self-
Can you run pip check and post the output?

I wonder if constraining some of the core packages would help. Here's trimmed pip output you posted previously:

Collecting pydantic-settings~=2.0
  Using cached pydantic_settings-2.2.0-py3-none-any.whl (13 kB)
  Using cached pydantic_settings-2.1.0-py3-none-any.whl (11 kB)
  Using cached pydantic_settings-2.0.3-py3-none-any.whl (11 kB)
  Using cached pydantic_settings-2.0.2-py3-none-any.whl (11 kB)
  Using cached pydantic_settings-2.0.1-py3-none-any.whl (11 kB)
  Using cached pydantic_settings-2.0.0-py3-none-any.whl (11 kB)
Requirement already satisfied: python-dotenv>=0.21.0 in /opt/conda/lib/python3.9/site-packages (from pydantic-settings~=2.0->optimade~=1.0.0->ipyoptimade~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.0.0)
INFO: pip is looking at multiple versions of ptyprocess to determine which version is compatible with other requirements. This could take a while.
Collecting ptyprocess>=0.5
  Using cached ptyprocess-0.7.0-py2.py3-none-any.whl (13 kB)
INFO: pip is looking at multiple versions of plotly to determine which version is compatible with other requirements. This could take a while.
Collecting plotly>=4.5.0
  Using cached plotly-5.20.0-py3-none-any.whl (15.7 MB)
INFO: pip is looking at multiple versions of parso to determine which version is compatible with other requirements. This could take a while.
Collecting parso<0.9.0,>=0.8.0
  Using cached parso-0.8.3-py2.py3-none-any.whl (100 kB)
INFO: pip is looking at multiple versions of palettable to determine which version is compatible with other requirements. This could take a while.
Collecting palettable>=3.1.1
  Using cached palettable-3.3.3-py2.py3-none-any.whl (332 kB)
INFO: pip is looking at multiple versions of networkx to determine which version is compatible with other requirements. This could take a while.
Collecting networkx>=2.2
  Using cached networkx-3.2.1-py3-none-any.whl (1.6 MB)
INFO: pip is looking at multiple versions of nbformat to determine which version is compatible with other requirements. This could take a while.
Collecting nbformat
  Using cached nbformat-5.10.3-py3-none-any.whl (78 kB)
INFO: pip is looking at multiple versions of nbconvert to determine which version is compatible with other requirements. This could take a while.
Collecting nbconvert>=5
  Using cached nbconvert-7.16.2-py3-none-any.whl (257 kB)
INFO: pip is looking at multiple versions of multidict to determine which version is compatible with other requirements. This could take a while.
Collecting multidict>=4.0
  Using cached multidict-6.0.5-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (123 kB)
INFO: pip is looking at multiple versions of msgpack to determine which version is compatible with other requirements. This could take a while.
Collecting msgpack>=0.5.2
  Using cached msgpack-1.0.8-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (385 kB)
INFO: pip is looking at multiple versions of monty to determine which version is compatible with other requirements. This could take a while.
Collecting monty>=3.0.2
  Using cached monty-2024.2.26-py3-none-any.whl (63 kB)
INFO: pip is looking at multiple versions of lark to determine which version is compatible with other requirements. This could take a while.
Collecting lark~=1.1
  Using cached lark-1.1.9-py3-none-any.whl (111 kB)
INFO: pip is looking at multiple versions of kiwisolver to determine which version is compatible with other requirements. This could take a while.
Collecting kiwisolver>=1.0.1
  Using cached kiwisolver-1.4.5-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (1.6 MB)
INFO: pip is looking at multiple versions of jupyter-core to determine which version is compatible with other requirements. This could take a while.
Collecting jupyter-core>=4.6.1
  Using cached jupyter_core-5.7.2-py3-none-any.whl (28 kB)
INFO: pip is looking at multiple versions of jupyter-client to determine which version is compatible with other requirements. This could take a while.
Collecting jupyter-client>=5.3.4
  Using cached jupyter_client-8.6.1-py3-none-any.whl (105 kB)
INFO: pip is looking at multiple versions of jsonpointer to determine which version is compatible with other requirements. This could take a while.
Collecting jsonpointer>1.13
  Using cached jsonpointer-2.4-py2.py3-none-any.whl (7.8 kB)
INFO: pip is looking at multiple versions of future to determine which version is compatible with other requirements. This could take a while.
Collecting future>=0.15
  Using cached future-1.0.0-py3-none-any.whl (491 kB)
INFO: pip is looking at multiple versions of fonttools to determine which version is compatible with other requirements. This could take a while.
Collecting fonttools>=4.22.0
  Using cached fonttools-4.50.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (4.6 MB)
INFO: pip is looking at multiple versions of cycler to determine which version is compatible with other requirements. This could take a while.
Collecting cycler>=0.10
  Using cached cycler-0.12.1-py3-none-any.whl (8.3 kB)
INFO: pip is looking at multiple versions of contourpy to determine which version is compatible with other requirements. This could take a while.
Collecting contourpy>=1.0.1
  Using cached contourpy-1.2.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (310 kB)
INFO: pip is looking at multiple versions of cffi to determine which version is compatible with other requirements. This could take a while.
Collecting cffi>=1.1
  Using cached cffi-1.16.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (443 kB)
INFO: pip is looking at multiple versions of cattrs to determine which version is compatible with other requirements. This could take a while.
Collecting cattrs>=22.2
  Using cached cattrs-23.2.3-py3-none-any.whl (57 kB)
INFO: pip is looking at multiple versions of yarl to determine which version is compatible with other requirements. This could take a while.
Collecting yarl
  Using cached yarl-1.9.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (304 kB)
INFO: pip is looking at multiple versions of shortuuid to determine which version is compatible with other requirements. This could take a while.
Collecting shortuuid
  Using cached shortuuid-1.0.13-py3-none-any.whl (10 kB)
INFO: pip is looking at multiple versions of pytojcamp to determine which version is compatible with other requirements. This could take a while.
Collecting pytojcamp
  Using cached pytojcamp-0.1.0-py3-none-any.whl (9.2 kB)
INFO: pip is looking at multiple versions of pygments to determine which version is compatible with other requirements. This could take a while.
Collecting pygments
  Using cached pygments-2.17.2-py3-none-any.whl (1.2 MB)
INFO: pip is looking at multiple versions of pickleshare to determine which version is compatible with other requirements. This could take a while.
Collecting pickleshare
  Using cached pickleshare-0.7.5-py2.py3-none-any.whl (6.9 kB)
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Collecting matplotlib-inline
  Using cached matplotlib_inline-0.1.6-py3-none-any.whl (9.4 kB)
INFO: pip is looking at multiple versions of mako to determine which version is compatible with other requirements. This could take a while.
Collecting Mako
  Using cached Mako-1.3.2-py3-none-any.whl (78 kB)
INFO: pip is looking at multiple versions of kiwipy to determine which version is compatible with other requirements. This could take a while.
INFO: pip is looking at multiple versions of deprecation to determine which version is compatible with other requirements. This could take a while.
Collecting deprecation
  Using cached deprecation-2.1.0-py2.py3-none-any.whl (11 kB)
INFO: pip is looking at multiple versions of decorator to determine which version is compatible with other requirements. This could take a while.
Collecting decorator
  Using cached decorator-5.1.1-py3-none-any.whl (9.1 kB)
INFO: pip is looking at multiple versions of backcall to determine which version is compatible with other requirements. This could take a while.
Collecting backcall
  Using cached backcall-0.2.0-py2.py3-none-any.whl (11 kB)
INFO: pip is looking at multiple versions of async-generator to determine which version is compatible with other requirements. This could take a while.
Collecting async-generator
  Using cached async_generator-1.10-py3-none-any.whl (18 kB)
INFO: pip is looking at multiple versions of widget-periodictable to determine which version is compatible with other requirements. This could take a while.
Collecting widget_periodictable~=3.1
  Using cached widget_periodictable-3.1.1-py3-none-any.whl (576 kB)
INFO: pip is looking at multiple versions of watchdog to determine which version is compatible with other requirements. This could take a while.
Collecting watchdog~=2.3
  Using cached watchdog-2.3.1-py3-none-manylinux2014_x86_64.whl (80 kB)
INFO: pip is looking at multiple versions of urllib3 to determine which version is compatible with other requirements. This could take a while.
Collecting urllib3~=1.24
  Using cached urllib3-1.26.18-py2.py3-none-any.whl (143 kB)
INFO: pip is looking at multiple versions of typing-extensions to determine which version is compatible with other requirements. This could take a while.
Collecting typing-extensions>=3.10.0
  Using cached typing_extensions-4.10.0-py3-none-any.whl (33 kB)
INFO: pip is looking at multiple versions of tornado to determine which version is compatible with other requirements. This could take a while.
Collecting tornado>=5.1
  Using cached tornado-6.4-cp38-abi3-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (435 kB)
INFO: pip is looking at multiple versions of toml to determine which version is compatible with other requirements. This could take a while.
Collecting toml~=0.10
  Using cached toml-0.10.2-py2.py3-none-any.whl (16 kB)
INFO: pip is looking at multiple versions of six to determine which version is compatible with other requirements. This could take a while.
Collecting six>=1.11.0
  Using cached six-1.16.0-py2.py3-none-any.whl (11 kB)
INFO: pip is looking at multiple versions of semver to determine which version is compatible with other requirements. This could take a while.
Collecting semver~=3.0
  Using cached semver-3.0.2-py3-none-any.whl (17 kB)
INFO: pip is looking at multiple versions of seekpath to determine which version is compatible with other requirements. This could take a while.
Collecting seekpath>=1.9.3,~=1.9
  Using cached seekpath-1.9.7-py2.py3-none-any.whl (86 kB)
INFO: pip is looking at multiple versions of scipy to determine which version is compatible with other requirements. This could take a while.
Collecting scipy>=1.1.0
  Using cached scipy-1.12.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (38.5 MB)
INFO: pip is looking at multiple versions of ruamel-yaml to determine which version is compatible with other requirements. This could take a while.
Collecting ruamel.yaml~=0.16
  Using cached ruamel.yaml-0.18.6-py3-none-any.whl (117 kB)
INFO: pip is looking at multiple versions of requests-mock to determine which version is compatible with other requirements. This could take a while.
Collecting requests-mock~=1.8
  Using cached requests_mock-1.11.0-py2.py3-none-any.whl (28 kB)
INFO: pip is looking at multiple versions of requests-cache to determine which version is compatible with other requirements. This could take a while.
Collecting requests-cache~=0.5
  Using cached requests_cache-0.9.8-py3-none-any.whl (48 kB)
INFO: pip is looking at multiple versions of pyzmq to determine which version is compatible with other requirements. This could take a while.
Collecting pyzmq>=17.0
  Using cached pyzmq-25.1.2-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (1.1 MB)
INFO: pip is looking at multiple versions of pytray to determine which version is compatible with other requirements. This could take a while.
Collecting pytray<0.4.0,>=0.2.2
  Using cached pytray-0.3.4-py2.py3-none-any.whl (11 kB)
INFO: pip is looking at multiple versions of pyrsistent to determine which version is compatible with other requirements. This could take a while.
Collecting pyrsistent>=0.14.0
  Using cached pyrsistent-0.20.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (117 kB)
INFO: pip is looking at multiple versions of pyparsing to determine which version is compatible with other requirements. This could take a while.
Collecting pyparsing!=3.0.5,>=2.0.2
  Using cached pyparsing-3.0.9-py3-none-any.whl (98 kB)
INFO: pip is looking at multiple versions of pynacl to determine which version is compatible with other requirements. This could take a while.
Collecting pynacl>=1.0.1
  Using cached PyNaCl-1.5.0-cp36-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.manylinux_2_24_x86_64.whl (856 kB)
INFO: pip is looking at multiple versions of pymatgen to determine which version is compatible with other requirements. This could take a while.
Collecting pymatgen>=2022.1.20
  Using cached pymatgen-2024.3.1-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (10.0 MB)
INFO: pip is looking at multiple versions of prompt-toolkit to determine which version is compatible with other requirements. This could take a while.
Collecting prompt-toolkit!=3.0.0,!=3.0.1,<3.1.0,>=2.0.0
  Using cached prompt_toolkit-3.0.43-py3-none-any.whl (386 kB)
INFO: pip is looking at multiple versions of pillow to determine which version is compatible with other requirements. This could take a while.
Collecting pillow>=7.1.0
  Using cached pillow-10.2.0-cp39-cp39-manylinux_2_28_x86_64.whl (4.5 MB)
INFO: pip is looking at multiple versions of pexpect to determine which version is compatible with other requirements. This could take a while.
Collecting pexpect>4.3
  Using cached pexpect-4.9.0-py2.py3-none-any.whl (63 kB)
INFO: pip is looking at multiple versions of pandas to determine which version is compatible with other requirements. This could take a while.
Collecting pandas~=2.1
  Using cached pandas-2.2.1-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (13.0 MB)
INFO: pip is looking at multiple versions of optimade to determine which version is compatible with other requirements. This could take a while.
Collecting optimade~=1.0.0
  Using cached optimade-1.0.3-py3-none-any.whl (230 kB)
  Using cached optimade-1.0.2-py3-none-any.whl (230 kB)
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INFO: pip is looking at multiple versions of notebook to determine which version is compatible with other requirements. This could take a while.
Collecting notebook>=4.4.1
  Using cached notebook-7.1.2-py3-none-any.whl (5.0 MB)
Collecting jupyterlab-server<3,>=2.22.1
  Using cached jupyterlab_server-2.25.4-py3-none-any.whl (58 kB)
Collecting jupyter-server<3,>=2.4.0
  Using cached jupyter_server-2.13.0-py3-none-any.whl (383 kB)
Collecting notebook-shim<0.3,>=0.2
  Using cached notebook_shim-0.2.4-py3-none-any.whl (13 kB)
Collecting jupyterlab<4.2,>=4.1.1
  Using cached jupyterlab-4.1.5-py3-none-any.whl (11.4 MB)
INFO: pip is looking at multiple versions of optimade to determine which version is compatible with other requirements. This could take a while.
Collecting notebook>=4.4.1
  Using cached notebook-7.1.1-py3-none-any.whl (5.0 MB)
INFO: This is taking longer than usual. You might need to provide the dependency resolver with stricter constraints to reduce runtime. See https://pip.pypa.io/warnings/backtracking for guidance. If you want to abort this run, press Ctrl + C.
  Using cached notebook-7.1.0-py3-none-any.whl (5.0 MB)
  Using cached notebook-7.0.8-py3-none-any.whl (4.0 MB)
Collecting jupyterlab<4.1,>=4.0.2
  Using cached jupyterlab-4.0.13-py3-none-any.whl (9.2 MB)
Collecting notebook>=4.4.1
  Using cached notebook-7.0.7-py3-none-any.whl (4.0 MB)
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INFO: pip is looking at multiple versions of notebook to determine which version is compatible with other requirements. This could take a while.
  Using cached notebook-7.0.4-py3-none-any.whl (4.0 MB)
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INFO: This is taking longer than usual. You might need to provide the dependency resolver with stricter constraints to reduce runtime. See https://pip.pypa.io/warnings/backtracking for guidance. If you want to abort this run, press Ctrl + C.
  Using cached notebook-6.5.6-py3-none-any.whl (529 kB)
Collecting nbclassic>=0.4.7
  Using cached nbclassic-1.0.0-py3-none-any.whl (10.0 MB)
Collecting notebook>=4.4.1
  Using cached notebook-6.5.5-py3-none-any.whl (529 kB)
  Using cached notebook-6.5.4-py3-none-any.whl (529 kB)
  Using cached notebook-6.5.3-py3-none-any.whl (529 kB)
  Using cached notebook-6.5.2-py3-none-any.whl (439 kB)
  Using cached notebook-6.5.1-py3-none-any.whl (439 kB)
Requirement already satisfied: nbclassic==0.4.5 in /opt/conda/lib/python3.9/site-packages (from notebook>=4.4.1->widgetsnbextension<3.6.3->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.4.5)
Requirement already satisfied: notebook-shim>=0.1.0 in /opt/conda/lib/python3.9/site-packages (from nbclassic==0.4.5->notebook>=4.4.1->widgetsnbextension<3.6.3->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.1.0)
Requirement already satisfied: jupyter-server>=1.8 in /opt/conda/lib/python3.9/site-packages (from nbclassic==0.4.5->notebook>=4.4.1->widgetsnbextension<3.6.3->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.19.1)
INFO: pip is looking at multiple versions of nbclassic to determine which version is compatible with other requirements. This could take a while.
Collecting nbclassic==0.4.5
  Using cached nbclassic-0.4.5-py3-none-any.whl (9.8 MB)
Collecting notebook>=4.4.1
  Using cached notebook-6.4.13-py3-none-any.whl (9.9 MB)
  Using cached notebook-6.4.12-py3-none-any.whl (9.9 MB)
  Using cached notebook-6.4.11-py3-none-any.whl (9.9 MB)
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  Using cached notebook-6.0.0-py3-none-any.whl (9.0 MB)
  Using cached notebook-5.7.16-py2.py3-none-any.whl (9.6 MB)
Collecting nbconvert<6.0
  Using cached nbconvert-5.6.1-py2.py3-none-any.whl (455 kB)
Collecting jupyter-client<7.0.0,>=5.2.0
  Using cached jupyter_client-6.1.12-py3-none-any.whl (112 kB)
Collecting Jinja2~=3.0
  Using cached Jinja2-3.0.0-py3-none-any.whl (133 kB)
INFO: pip is looking at multiple versions of jinja2 to determine which version is compatible with other requirements. This could take a while.
Collecting notebook>=4.4.1
  Using cached notebook-5.7.15-py2.py3-none-any.whl (9.6 MB)
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  Using cached notebook-4.4.1-py2.py3-none-any.whl (6.9 MB)
INFO: pip is looking at multiple versions of nest-asyncio to determine which version is compatible with other requirements. This could take a while.
Collecting nest_asyncio~=1.5
  Using cached nest_asyncio-1.6.0-py3-none-any.whl (5.2 kB)
  Using cached nest_asyncio-1.5.9-py3-none-any.whl (5.3 kB)
INFO: pip is looking at multiple versions of jinja2 to determine which version is compatible with other requirements. This could take a while.
  Using cached nest_asyncio-1.5.8-py3-none-any.whl (5.3 kB)
INFO: pip is looking at multiple versions of nbclassic to determine which version is compatible with other requirements. This could take a while.
  Using cached nest_asyncio-1.5.7-py3-none-any.whl (5.3 kB)
INFO: This is taking longer than usual. You might need to provide the dependency resolver with stricter constraints to reduce runtime. See https://pip.pypa.io/warnings/backtracking for guidance. If you want to abort this run, press Ctrl + C.
  Using cached nest_asyncio-1.5.6-py3-none-any.whl (5.2 kB)
  Using cached nest_asyncio-1.5.5-py3-none-any.whl (5.2 kB)
INFO: This is taking longer than usual. You might need to provide the dependency resolver with stricter constraints to reduce runtime. See https://pip.pypa.io/warnings/backtracking for guidance. If you want to abort this run, press Ctrl + C.
  Using cached nest_asyncio-1.5.4-py3-none-any.whl (5.1 kB)
INFO: pip is looking at multiple versions of nest-asyncio to determine which version is compatible with other requirements. This could take a while.
  Using cached nest_asyncio-1.5.3-py3-none-any.whl (5.1 kB)
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  Using cached nest_asyncio-1.5.0-py3-none-any.whl (5.0 kB)
INFO: pip is looking at multiple versions of matplotlib to determine which version is compatible with other requirements. This could take a while.
Collecting matplotlib>=3.3.4,~=3.3
  Using cached matplotlib-3.8.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (11.6 MB)
INFO: This is taking longer than usual. You might need to provide the dependency resolver with stricter constraints to reduce runtime. See https://pip.pypa.io/warnings/backtracking for guidance. If you want to abort this run, press Ctrl + C.
  Using cached matplotlib-3.8.2-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (11.6 MB)

It is very suspicious that pip is backtracking so far for the notebook dependency. Could you try constraining this dependency to its current version. I think something like this should work:

1. Create a file constraint.txt with a line notebook==6.4.12.
2. run pip as pip install -c constraint.txt -e .

I think we should just make this constraint in the aiidalab-docker-stack image imo.

[superstar54]

Create a file constraint.txt with a line notebook==6.4.12.
run pip as pip install -c constraint.txt -e .

I tried this, but it did not work.

output:

~/apps/aiidalab-qe$ pip install -c constraint.txt -e .
Obtaining file:///home/jovyan/apps/aiidalab-qe
  Installing build dependencies ... done
  Checking if build backend supports build_editable ... done
  Getting requirements to build editable ... done
  Preparing editable metadata (pyproject.toml) ... done
Collecting aiida-quantumespresso~=4.4.0
  Using cached aiida_quantumespresso-4.4.0-py3-none-any.whl (794 kB)
Requirement already satisfied: aiidalab-widgets-base[optimade]~=2.2.0a0 in /opt/conda/lib/python3.9/site-packages (from aiidalab_qe==24.4.0a2) (2.2.0a0)
Requirement already satisfied: aiida-pseudo~=1.4 in /opt/conda/lib/python3.9/site-packages (from aiidalab_qe==24.4.0a2) (1.4.0)
Requirement already satisfied: Jinja2~=3.0 in /opt/conda/lib/python3.9/site-packages (from aiidalab_qe==24.4.0a2) (3.1.2)
Requirement already satisfied: importlib-resources~=5.2 in /opt/conda/lib/python3.9/site-packages (from aiidalab_qe==24.4.0a2) (5.10.0)
Requirement already satisfied: aiida-core<3,~=2.2 in /opt/conda/lib/python3.9/site-packages (from aiidalab_qe==24.4.0a2) (2.4.1)
Requirement already satisfied: filelock~=3.8 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab_qe==24.4.0a2) (3.12.2)
Requirement already satisfied: alembic~=1.2 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.8.1)
Requirement already satisfied: psycopg2-binary~=2.8 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2.9.3)
Requirement already satisfied: graphviz~=0.19 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.20.1)
Requirement already satisfied: wrapt~=1.11 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.15.0)
Requirement already satisfied: docstring-parser in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.15)
Requirement already satisfied: importlib-metadata~=4.13 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (4.13.0)
Requirement already satisfied: tqdm~=4.45 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (4.64.1)
Requirement already satisfied: plumpy~=0.21.6 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.21.7)
Requirement already satisfied: tabulate~=0.8.5 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.8.10)
Requirement already satisfied: paramiko>=2.7.2,~=2.7 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2.12.0)
Requirement already satisfied: jsonschema~=3.0 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (3.2.0)
Requirement already satisfied: click-spinner~=0.1.8 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.1.10)
Requirement already satisfied: requests~=2.0 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2.31.0)
Requirement already satisfied: upf_to_json~=0.9.2 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.9.2)
Requirement already satisfied: sqlalchemy~=1.4.22 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.4.50)
Requirement already satisfied: pytz~=2021.1 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2021.3)
Requirement already satisfied: archive-path~=0.4.2 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.4.2)
Requirement already satisfied: numpy~=1.21 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.24.3)
Requirement already satisfied: get-annotations~=0.1 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.1.2)
Requirement already satisfied: disk-objectstore~=0.6.0 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.6.0)
Requirement already satisfied: ipython>=7 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (7.33.0)
Requirement already satisfied: psutil~=5.6 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (5.9.2)
Requirement already satisfied: pyyaml~=6.0 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (6.0)
Requirement already satisfied: circus~=0.18.0 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.18.0)
Requirement already satisfied: click~=8.1 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (8.1.3)
Requirement already satisfied: pgsu~=0.2.1 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.2.3)
Requirement already satisfied: aio-pika~=6.6 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (6.8.1)
Requirement already satisfied: kiwipy[rmq]~=0.7.7 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.7.7)
Requirement already satisfied: pint~=0.16.1 in /home/jovyan/.local/lib/python3.9/site-packages (from aiida-pseudo~=1.4->aiidalab_qe==24.4.0a2) (0.16.1)
Requirement already satisfied: qe-tools~=2.0 in /home/jovyan/.local/lib/python3.9/site-packages (from aiida-quantumespresso~=4.4.0->aiidalab_qe==24.4.0a2) (2.0.0)
Requirement already satisfied: packaging in /opt/conda/lib/python3.9/site-packages (from aiida-quantumespresso~=4.4.0->aiidalab_qe==24.4.0a2) (21.3)
Collecting pydantic>=1.10.8,~=1.10
  Using cached pydantic-1.10.14-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.2 MB)
Collecting xmlschema>=1.2.5,~=1.2
  Using cached xmlschema-1.11.3-py3-none-any.whl (356 kB)
Requirement already satisfied: more-itertools~=8.0 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (8.14.0)
Requirement already satisfied: humanfriendly~=10.0 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (10.0)
Requirement already satisfied: nglview~=3.0 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (3.0.6)
Requirement already satisfied: aiidalab-eln>=0.1.2,~=0.1 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.1.2)
Requirement already satisfied: ase~=3.18 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (3.22.1)
Requirement already satisfied: bokeh~=2.0 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (2.4.3)
Requirement already satisfied: widgetsnbextension<3.6.3 in /opt/conda/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (3.6.2)
Requirement already satisfied: spglib<3,>=1.14 in /opt/conda/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (2.1.0)
Requirement already satisfied: traitlets~=5.9.0 in /opt/conda/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (5.9.0)
Requirement already satisfied: ansi2html~=1.6 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.8.0)
Requirement already satisfied: aiidalab>=21.11.2 in /opt/conda/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (23.3.0)
Requirement already satisfied: PyCifRW~=4.4 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (4.4.5)
Requirement already satisfied: vapory~=0.1.2 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.1.2)
Requirement already satisfied: pymysql~=0.9 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.9.3)
Requirement already satisfied: ipywidgets~=7.7 in /opt/conda/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (7.7.4)
Requirement already satisfied: ipytree~=0.2 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.2.2)
Requirement already satisfied: ipyoptimade~=0.1 in /opt/conda/lib/python3.9/site-packages (from aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.2.0)
Requirement already satisfied: zipp>=3.1.0 in /opt/conda/lib/python3.9/site-packages (from importlib-resources~=5.2->aiidalab_qe==24.4.0a2) (3.9.0)
Requirement already satisfied: MarkupSafe>=2.0 in /opt/conda/lib/python3.9/site-packages (from Jinja2~=3.0->aiidalab_qe==24.4.0a2) (2.0.1)
Requirement already satisfied: pymatgen>=2022.1.20 in /opt/conda/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2023.9.25)
Requirement already satisfied: matplotlib>=3.3.4,~=3.3 in /home/jovyan/.local/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (3.7.2)
Requirement already satisfied: seekpath>=1.9.3,~=1.9 in /home/jovyan/.local/lib/python3.9/site-packages (from aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.9.7)
Requirement already satisfied: requests-mock~=1.8 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.10.0)
Requirement already satisfied: dacite~=1.6 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.8.0)
Requirement already satisfied: cachetools~=4.1 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (4.2.4)
Requirement already satisfied: toml~=0.10 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.10.2)
Requirement already satisfied: urllib3~=1.24 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.26.11)
Requirement already satisfied: watchdog~=2.3 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (2.3.1)
Requirement already satisfied: CacheControl~=0.12 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.13.1)
Requirement already satisfied: requests-cache~=0.5 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.9.8)
Requirement already satisfied: ruamel.yaml~=0.16 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.17.21)
Requirement already satisfied: jsonref~=0.2 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.2)
Requirement already satisfied: dulwich~=0.20 in /opt/conda/lib/python3.9/site-packages (from aiidalab>=21.11.2->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.21.5)
Requirement already satisfied: pytojcamp in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-eln>=0.1.2,~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.1.0)
Requirement already satisfied: cheminfopy>=0.6.0 in /home/jovyan/.local/lib/python3.9/site-packages (from aiidalab-eln>=0.1.2,~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.9.0)
Requirement already satisfied: yarl in /opt/conda/lib/python3.9/site-packages (from aio-pika~=6.6->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.9.1)
Requirement already satisfied: aiormq<4,>=3.2.3 in /opt/conda/lib/python3.9/site-packages (from aio-pika~=6.6->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (3.3.1)
Requirement already satisfied: Mako in /opt/conda/lib/python3.9/site-packages (from alembic~=1.2->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.2.3)
Requirement already satisfied: scipy>=1.1.0 in /home/jovyan/.local/lib/python3.9/site-packages (from ase~=3.18->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.11.1)
Requirement already satisfied: pillow>=7.1.0 in /home/jovyan/.local/lib/python3.9/site-packages (from bokeh~=2.0->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (10.0.0)
Requirement already satisfied: typing-extensions>=3.10.0 in /home/jovyan/.local/lib/python3.9/site-packages (from bokeh~=2.0->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (4.7.1)
Requirement already satisfied: tornado>=5.1 in /opt/conda/lib/python3.9/site-packages (from bokeh~=2.0->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (6.2)
Requirement already satisfied: pyzmq>=17.0 in /opt/conda/lib/python3.9/site-packages (from circus~=0.18.0->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (24.0.1)
Requirement already satisfied: pandas~=2.1 in /opt/conda/lib/python3.9/site-packages (from ipyoptimade~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (2.2.1)
Requirement already satisfied: semver~=3.0 in /opt/conda/lib/python3.9/site-packages (from ipyoptimade~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (3.0.2)
Requirement already satisfied: ipywidgets-extended!=1.2.0,!=1.2.1,<2,>=1.1.1 in /home/jovyan/.local/lib/python3.9/site-packages (from ipyoptimade~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.1.1)
Requirement already satisfied: appdirs~=1.4.4 in /opt/conda/lib/python3.9/site-packages (from ipyoptimade~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.4.4)
Requirement already satisfied: widget_periodictable~=3.1 in /home/jovyan/.local/lib/python3.9/site-packages (from ipyoptimade~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (3.1.1)
Requirement already satisfied: optimade~=1.0.0 in /opt/conda/lib/python3.9/site-packages (from ipyoptimade~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.0.3)
Requirement already satisfied: pexpect>4.3 in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (4.8.0)
Requirement already satisfied: prompt-toolkit!=3.0.0,!=3.0.1,<3.1.0,>=2.0.0 in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (3.0.39)
Requirement already satisfied: pygments in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2.13.0)
Requirement already satisfied: jedi>=0.16 in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.18.1)
Requirement already satisfied: matplotlib-inline in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.1.6)
Requirement already satisfied: pickleshare in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.7.5)
Requirement already satisfied: decorator in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (5.1.1)
Requirement already satisfied: backcall in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.2.0)
Requirement already satisfied: setuptools>=18.5 in /opt/conda/lib/python3.9/site-packages (from ipython>=7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (65.4.1)
Requirement already satisfied: jupyterlab-widgets<3,>=1.0.0 in /opt/conda/lib/python3.9/site-packages (from ipywidgets~=7.7->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (1.1.4)
Requirement already satisfied: ipython-genutils~=0.2.0 in /opt/conda/lib/python3.9/site-packages (from ipywidgets~=7.7->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (0.2.0)
Requirement already satisfied: pyrsistent>=0.14.0 in /opt/conda/lib/python3.9/site-packages (from jsonschema~=3.0->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.18.1)
Requirement already satisfied: attrs>=17.4.0 in /opt/conda/lib/python3.9/site-packages (from jsonschema~=3.0->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (22.1.0)
Requirement already satisfied: six>=1.11.0 in /opt/conda/lib/python3.9/site-packages (from jsonschema~=3.0->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.16.0)
Requirement already satisfied: pytray<0.4.0,>=0.2.2 in /opt/conda/lib/python3.9/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (0.3.4)
Requirement already satisfied: async-generator in /opt/conda/lib/python3.9/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.10)
Requirement already satisfied: shortuuid in /opt/conda/lib/python3.9/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.0.11)
Requirement already satisfied: deprecation in /opt/conda/lib/python3.9/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2.1.0)
Requirement already satisfied: pamqp~=2.0 in /opt/conda/lib/python3.9/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2.3.0)
Requirement already satisfied: pyparsing!=3.0.5,>=2.0.2 in /opt/conda/lib/python3.9/site-packages (from packaging->aiida-quantumespresso~=4.4.0->aiidalab_qe==24.4.0a2) (3.0.9)
Requirement already satisfied: bcrypt>=3.1.3 in /opt/conda/lib/python3.9/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (3.2.2)
Requirement already satisfied: cryptography>=2.5 in /opt/conda/lib/python3.9/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (40.0.2)
Requirement already satisfied: pynacl>=1.0.1 in /opt/conda/lib/python3.9/site-packages (from paramiko>=2.7.2,~=2.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.5.0)
Requirement already satisfied: nest_asyncio~=1.5 in /opt/conda/lib/python3.9/site-packages (from plumpy~=0.21.6->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.5.6)
Requirement already satisfied: psycopg2==2.9.3 in /opt/conda/lib/python3.9/site-packages (from psycopg2-binary~=2.8->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2.9.3)
Requirement already satisfied: certifi>=2017.4.17 in /opt/conda/lib/python3.9/site-packages (from requests~=2.0->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2023.5.7)
Requirement already satisfied: charset-normalizer<4,>=2 in /opt/conda/lib/python3.9/site-packages (from requests~=2.0->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (2.1.1)
Requirement already satisfied: idna<4,>=2.5 in /opt/conda/lib/python3.9/site-packages (from requests~=2.0->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (3.4)
Requirement already satisfied: greenlet!=0.4.17 in /opt/conda/lib/python3.9/site-packages (from sqlalchemy~=1.4.22->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.1.3)
Requirement already satisfied: notebook>=4.4.1 in /opt/conda/lib/python3.9/site-packages (from widgetsnbextension<3.6.3->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (6.4.12)
Collecting elementpath<3.0.0,>=2.5.0
  Using cached elementpath-2.5.3-py3-none-any.whl (181 kB)
Requirement already satisfied: cffi>=1.1 in /opt/conda/lib/python3.9/site-packages (from bcrypt>=3.1.3->paramiko>=2.7.2,~=2.7->aiida-core<3,~=2.2->aiidalab_qe==24.4.0a2) (1.15.1)
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Requirement already satisfied: natsort in /home/jovyan/.local/lib/python3.9/site-packages (from cheminfopy>=0.6.0->aiidalab-eln>=0.1.2,~=0.1->aiidalab-widgets-base[optimade]~=2.2.0a0->aiidalab_qe==24.4.0a2) (8.4.0)
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[danielhollas]

Thanks. The constraint worked in a sense that it did not backtrack on notebook and its dependencies, which probably saved a lot of time, but is still backtracking other stuff. I think if adding matplotlib to the constraint file might help as well, that seems to take long.

I think @unkcpz was right, since you are currently in broken state (what is the output of pip check?) with pydantic v2, it throws pip into a loop.