# # This file is autogenerated by pip-compile with Python 3.11 # by the following command: # # pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.11_extras.txt pyproject.toml # aioitertools==0.12.0 # via maggma annotated-types==0.7.0 # via pydantic arrow==1.3.0 # via isoduration ase==3.23.0 # via # matcalc # pymatgen-analysis-diffusion asttokens==3.0.0 # via stack-data attrs==24.2.0 # via # jsonlines # jsonschema # referencing bcrypt==4.2.1 # via paramiko boltons==24.1.0 # via mpcontribs-client boto3==1.35.78 # via # maggma # mp-api (pyproject.toml) botocore==1.35.78 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client bravado-core==6.1.1 # via bravado cachetools==5.5.0 # via mpcontribs-client certifi==2024.8.30 # via requests cffi==1.17.1 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit charset-normalizer==3.4.0 # via requests contourpy==1.3.1 # via matplotlib coverage[toml]==7.6.9 # via pytest-cov cryptography==44.0.0 # via paramiko custodian==2024.10.16 # via mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib decorator==5.1.1 # via ipython distlib==0.3.9 # via virtualenv dnspython==2.7.0 # via # maggma # pyisemail # pymongo emmet-core[all]==0.84.3rc6 # via # mp-api # mp-api (pyproject.toml) executing==2.1.0 # via stack-data fasteners==0.19 # via mdanalysis filelock==3.16.1 # via virtualenv filetype==1.2.0 # via mpcontribs-client flake8==7.1.1 # via mp-api (pyproject.toml) flatten-dict==0.4.2 # via mpcontribs-client fonttools==4.55.3 # via matplotlib fqdn==1.5.1 # via jsonschema griddataformats==1.0.2 # via mdanalysis h5py==3.12.1 # via phonopy identify==2.6.3 # via pre-commit idna==3.10 # via # jsonschema # requests imageio==2.36.1 # via scikit-image importlib-resources==6.4.5 # via swagger-spec-validator inflect==7.4.0 # via robocrys iniconfig==2.0.0 # via pytest ipython==8.30.0 # via mpcontribs-client isoduration==20.11.0 # via jsonschema jedi==0.19.2 # via ipython jmespath==1.0.1 # via # boto3 # botocore joblib==1.4.2 # via # matcalc # mdanalysis # pymatgen # pymatgen-analysis-diffusion # scikit-learn json2html==1.3.0 # via mpcontribs-client jsonlines==4.0.0 # via maggma jsonpointer==3.0.0 # via jsonschema jsonref==1.1.0 # via bravado-core jsonschema[format-nongpl]==4.23.0 # via # bravado-core # maggma # swagger-spec-validator jsonschema-specifications==2024.10.1 # via jsonschema kiwisolver==1.4.7 # via matplotlib latexcodec==3.0.0 # via pybtex lazy-loader==0.4 # via scikit-image maggma==0.70.0 # via # mp-api # mp-api (pyproject.toml) matcalc==0.0.4 # via emmet-core matminer==0.9.3 # via robocrys matplotlib==3.9.3 # via # ase # mdanalysis # pathsimanalysis # phonopy # pymatgen # seaborn # solvation-analysis matplotlib-inline==0.1.7 # via ipython mccabe==0.7.0 # via flake8 mda-xdrlib==0.2.0 # via mdanalysis mdahole2==0.5.0 # via mdanalysis mdanalysis==2.8.0 # via # emmet-core # mdahole2 # pathsimanalysis # solvation-analysis # waterdynamics mmtf-python==1.1.3 # via mdanalysis mongomock==4.3.0 # via maggma monotonic==1.6 # via bravado monty==2024.12.10 # via # custodian # emmet-core # maggma # matminer # mp-api # mp-api (pyproject.toml) # pymatgen # robocrys more-itertools==10.5.0 # via inflect mp-api==0.43.0 # via robocrys mp-pyrho==0.4.5 # via pymatgen-analysis-defects mpcontribs-client==5.9.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy mrcfile==1.5.3 # via griddataformats msgpack==1.1.0 # via # bravado # bravado-core # maggma # mmtf-python # mp-api # mp-api (pyproject.toml) mypy==1.13.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy networkx==3.4.2 # via # pymatgen # robocrys # scikit-image nodeenv==1.9.1 # via pre-commit numpy==1.26.4 # via # ase # contourpy # emmet-core # griddataformats # h5py # imageio # maggma # matminer # matplotlib # mdanalysis # monty # mpcontribs-client # mrcfile # pandas # pathsimanalysis # patsy # phonopy # pymatgen # pymatgen-analysis-defects # pymatgen-analysis-diffusion # rdkit # robocrys # scikit-image # scikit-learn # scipy # seaborn # seekpath # shapely # solvation-analysis # spglib # statsmodels # symfc # tifffile # waterdynamics orjson==3.10.12 # via maggma packaging==24.2 # via # lazy-loader # matplotlib # mdanalysis # mongomock # plotly # pytest # scikit-image # statsmodels palettable==3.3.3 # via pymatgen pandas==2.2.3 # via # maggma # matminer # mpcontribs-client # pymatgen # seaborn # solvation-analysis # statsmodels paramiko==3.5.0 # via sshtunnel parso==0.8.4 # via jedi pathsimanalysis==1.2.0 # via mdanalysis patsy==1.0.1 # via statsmodels pexpect==4.9.0 # via ipython phonopy==2.32.0 # via matcalc pillow==11.0.0 # via # imageio # matplotlib # rdkit # scikit-image pint==0.19.2 # via mpcontribs-client platformdirs==4.3.6 # via virtualenv plotly==5.24.1 # via # mpcontribs-client # pymatgen # solvation-analysis pluggy==1.5.0 # via pytest pre-commit==4.0.1 # via mp-api (pyproject.toml) prompt-toolkit==3.0.48 # via ipython psutil==6.1.0 # via custodian ptyprocess==0.7.0 # via pexpect pubchempy==1.0.4 # via robocrys pure-eval==0.2.3 # via stack-data pybtex==0.24.0 # via # emmet-core # pymatgen # robocrys pycodestyle==2.12.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.22 # via cffi pydantic==2.10.3 # via # emmet-core # maggma # pydantic-settings pydantic-core==2.27.1 # via pydantic pydantic-settings==2.6.1 # via # emmet-core # maggma pydash==8.0.4 # via maggma pyflakes==3.2.0 # via flake8 pygments==2.18.0 # via ipython pyisemail==2.0.1 # via mpcontribs-client pymatgen==2024.11.13 # via # emmet-core # matcalc # matminer # mp-api # mp-api (pyproject.toml) # mp-pyrho # mpcontribs-client # pymatgen-analysis-alloys # pymatgen-analysis-defects # pymatgen-analysis-diffusion # robocrys pymatgen-analysis-alloys==0.0.7 # via emmet-core pymatgen-analysis-defects==2024.10.22 # via emmet-core pymatgen-analysis-diffusion==2024.7.15 # via emmet-core pymongo==4.10.1 # via # maggma # matminer # mpcontribs-client pynacl==1.5.0 # via paramiko pyparsing==3.2.0 # via matplotlib pytest==8.3.4 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock # solvation-analysis pytest-asyncio==0.24.0 # via mp-api (pyproject.toml) pytest-cov==6.0.0 # via mp-api (pyproject.toml) pytest-mock==3.14.0 # via mp-api (pyproject.toml) python-dateutil==2.9.0.post0 # via # arrow # botocore # bravado # bravado-core # maggma # matplotlib # pandas python-dotenv==1.0.1 # via pydantic-settings pytz==2024.2 # via # bravado-core # mongomock # pandas pyyaml==6.0.2 # via # bravado # bravado-core # phonopy # pre-commit # pybtex # swagger-spec-validator pyzmq==26.2.0 # via maggma rdkit==2024.3.6 # via solvation-analysis referencing==0.35.1 # via # jsonschema # jsonschema-specifications requests==2.32.3 # via # bravado # bravado-core # matminer # mp-api # mp-api (pyproject.toml) # pymatgen # requests-futures requests-futures==1.0.2 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.10 # via emmet-core rpds-py==0.22.3 # via # jsonschema # referencing ruamel-yaml==0.18.6 # via # custodian # maggma # monty # pymatgen # robocrys ruamel-yaml-clib==0.2.12 # via ruamel-yaml s3transfer==0.10.4 # via boto3 scikit-image==0.24.0 # via pymatgen-analysis-defects scikit-learn==1.6.0 # via matminer scipy==1.14.1 # via # ase # griddataformats # mdanalysis # pathsimanalysis # pymatgen # robocrys # scikit-image # scikit-learn # solvation-analysis # statsmodels # symfc seaborn==0.13.2 # via pymatgen-analysis-diffusion seekpath==2.1.0 # via emmet-core semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock shapely==2.0.6 # via pymatgen-analysis-alloys simplejson==3.19.3 # via # bravado # bravado-core six==1.17.0 # via # bravado # bravado-core # flatten-dict # pybtex # python-dateutil # rfc3339-validator smart-open==7.0.5 # via # mp-api # mp-api (pyproject.toml) solvation-analysis==0.4.1 # via emmet-core spglib==2.5.0 # via # phonopy # pymatgen # robocrys # seekpath # symfc sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython statsmodels==0.14.4 # via solvation-analysis swagger-spec-validator==3.0.4 # via # bravado-core # mpcontribs-client symfc==1.1.6 # via phonopy sympy==1.13.3 # via # matminer # pymatgen tabulate==0.9.0 # via pymatgen tenacity==9.0.0 # via plotly threadpoolctl==3.5.0 # via # mdanalysis # scikit-learn tifffile==2024.9.20 # via scikit-image tqdm==4.67.1 # via # maggma # matminer # mdanalysis # mpcontribs-client # pymatgen traitlets==5.14.3 # via # ipython # matplotlib-inline typeguard==4.4.1 # via inflect types-python-dateutil==2.9.0.20241206 # via arrow types-requests==2.32.0.20241016 # via mp-api (pyproject.toml) types-setuptools==75.6.0.20241126 # via mp-api (pyproject.toml) typing-extensions==4.12.2 # via # bravado # emmet-core # ipython # mp-api # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash # swagger-spec-validator # typeguard tzdata==2024.2 # via pandas ujson==5.10.0 # via mpcontribs-client uncertainties==3.2.2 # via pymatgen uri-template==1.3.0 # via jsonschema urllib3==2.2.3 # via # botocore # requests # types-requests virtualenv==20.28.0 # via pre-commit waterdynamics==1.2.0 # via mdanalysis wcwidth==0.2.13 # via prompt-toolkit webcolors==24.11.1 # via jsonschema wrapt==1.17.0 # via smart-open # The following packages are considered to be unsafe in a requirements file: # setuptools