poetry config files updated
This commit is contained in:
Lorenzo Volpi
parent
df2f3ba5cc
commit
7c8026afeb
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@ -1263,36 +1263,47 @@ files = [
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[[package]]
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name = "numpy"
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version = "1.25.2"
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version = "1.26.2"
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description = "Fundamental package for array computing in Python"
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optional = false
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python-versions = ">=3.9"
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files = [
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{file = "numpy-1.26.2.tar.gz", hash = "sha256:f65738447676ab5777f11e6bbbdb8ce11b785e105f690bc45966574816b6d3ea"},
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]
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[[package]]
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@ -1306,64 +1317,6 @@ files = [
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{file = "packaging-23.2.tar.gz", hash = "sha256:048fb0e9405036518eaaf48a55953c750c11e1a1b68e0dd1a9d62ed0c092cfc5"},
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]
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[[package]]
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name = "pandas"
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version = "2.1.0"
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description = "Powerful data structures for data analysis, time series, and statistics"
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optional = false
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python-versions = ">=3.9"
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files = [
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]
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[package.dependencies]
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numpy = {version = ">=1.23.2", markers = "python_version >= \"3.11\""}
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python-dateutil = ">=2.8.2"
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pytz = ">=2020.1"
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tzdata = ">=2022.1"
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[package.extras]
|
||||
all = ["PyQt5 (>=5.15.6)", "SQLAlchemy (>=1.4.36)", "beautifulsoup4 (>=4.11.1)", "bottleneck (>=1.3.4)", "dataframe-api-compat (>=0.1.7)", "fastparquet (>=0.8.1)", "fsspec (>=2022.05.0)", "gcsfs (>=2022.05.0)", "html5lib (>=1.1)", "hypothesis (>=6.46.1)", "jinja2 (>=3.1.2)", "lxml (>=4.8.0)", "matplotlib (>=3.6.1)", "numba (>=0.55.2)", "numexpr (>=2.8.0)", "odfpy (>=1.4.1)", "openpyxl (>=3.0.10)", "pandas-gbq (>=0.17.5)", "psycopg2 (>=2.9.3)", "pyarrow (>=7.0.0)", "pymysql (>=1.0.2)", "pyreadstat (>=1.1.5)", "pytest (>=7.3.2)", "pytest-asyncio (>=0.17.0)", "pytest-xdist (>=2.2.0)", "pyxlsb (>=1.0.9)", "qtpy (>=2.2.0)", "s3fs (>=2022.05.0)", "scipy (>=1.8.1)", "tables (>=3.7.0)", "tabulate (>=0.8.10)", "xarray (>=2022.03.0)", "xlrd (>=2.0.1)", "xlsxwriter (>=3.0.3)", "zstandard (>=0.17.0)"]
|
||||
aws = ["s3fs (>=2022.05.0)"]
|
||||
clipboard = ["PyQt5 (>=5.15.6)", "qtpy (>=2.2.0)"]
|
||||
compression = ["zstandard (>=0.17.0)"]
|
||||
computation = ["scipy (>=1.8.1)", "xarray (>=2022.03.0)"]
|
||||
consortium-standard = ["dataframe-api-compat (>=0.1.7)"]
|
||||
excel = ["odfpy (>=1.4.1)", "openpyxl (>=3.0.10)", "pyxlsb (>=1.0.9)", "xlrd (>=2.0.1)", "xlsxwriter (>=3.0.3)"]
|
||||
feather = ["pyarrow (>=7.0.0)"]
|
||||
fss = ["fsspec (>=2022.05.0)"]
|
||||
gcp = ["gcsfs (>=2022.05.0)", "pandas-gbq (>=0.17.5)"]
|
||||
hdf5 = ["tables (>=3.7.0)"]
|
||||
html = ["beautifulsoup4 (>=4.11.1)", "html5lib (>=1.1)", "lxml (>=4.8.0)"]
|
||||
mysql = ["SQLAlchemy (>=1.4.36)", "pymysql (>=1.0.2)"]
|
||||
output-formatting = ["jinja2 (>=3.1.2)", "tabulate (>=0.8.10)"]
|
||||
parquet = ["pyarrow (>=7.0.0)"]
|
||||
performance = ["bottleneck (>=1.3.4)", "numba (>=0.55.2)", "numexpr (>=2.8.0)"]
|
||||
plot = ["matplotlib (>=3.6.1)"]
|
||||
postgresql = ["SQLAlchemy (>=1.4.36)", "psycopg2 (>=2.9.3)"]
|
||||
spss = ["pyreadstat (>=1.1.5)"]
|
||||
sql-other = ["SQLAlchemy (>=1.4.36)"]
|
||||
test = ["hypothesis (>=6.46.1)", "pytest (>=7.3.2)", "pytest-asyncio (>=0.17.0)", "pytest-xdist (>=2.2.0)"]
|
||||
xml = ["lxml (>=4.8.0)"]
|
||||
|
||||
[[package]]
|
||||
name = "pandas"
|
||||
version = "2.1.2"
|
||||
|
|
@ -1402,6 +1355,7 @@ files = [
|
|||
numpy = [
|
||||
{version = ">=1.22.4,<2", markers = "python_version < \"3.11\""},
|
||||
{version = ">=1.23.2,<2", markers = "python_version == \"3.11\""},
|
||||
{version = ">=1.26.0,<2", markers = "python_version >= \"3.12\""},
|
||||
]
|
||||
python-dateutil = ">=2.8.2"
|
||||
pytz = ">=2020.1"
|
||||
|
|
@ -1431,6 +1385,21 @@ sql-other = ["SQLAlchemy (>=1.4.36)"]
|
|||
test = ["hypothesis (>=6.46.1)", "pytest (>=7.3.2)", "pytest-asyncio (>=0.17.0)", "pytest-xdist (>=2.2.0)"]
|
||||
xml = ["lxml (>=4.8.0)"]
|
||||
|
||||
[[package]]
|
||||
name = "pandas-stubs"
|
||||
version = "2.1.1.230928"
|
||||
description = "Type annotations for pandas"
|
||||
optional = false
|
||||
python-versions = ">=3.9"
|
||||
files = [
|
||||
{file = "pandas_stubs-2.1.1.230928-py3-none-any.whl", hash = "sha256:992d97159e054ca3175ebe8321ac5616cf6502dd8218b03bb0eaf3c4f6939037"},
|
||||
{file = "pandas_stubs-2.1.1.230928.tar.gz", hash = "sha256:ce1691c71c5d67b8f332da87763f7f54650f46895d99964d588c3a5d79e2cacc"},
|
||||
]
|
||||
|
||||
[package.dependencies]
|
||||
numpy = {version = ">=1.26.0", markers = "python_version < \"3.13\""}
|
||||
types-pytz = ">=2022.1.1"
|
||||
|
||||
[[package]]
|
||||
name = "panel"
|
||||
version = "1.3.1"
|
||||
|
|
@ -2215,41 +2184,45 @@ tests = ["black (>=23.3.0)", "matplotlib (>=3.1.3)", "mypy (>=1.3)", "numpydoc (
|
|||
|
||||
[[package]]
|
||||
name = "scipy"
|
||||
version = "1.9.3"
|
||||
version = "1.11.4"
|
||||
description = "Fundamental algorithms for scientific computing in Python"
|
||||
optional = false
|
||||
python-versions = ">=3.8"
|
||||
python-versions = ">=3.9"
|
||||
files = [
|
||||
{file = "scipy-1.9.3-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:1884b66a54887e21addf9c16fb588720a8309a57b2e258ae1c7986d4444d3bc0"},
|
||||
{file = "scipy-1.9.3-cp310-cp310-macosx_12_0_arm64.whl", hash = "sha256:83b89e9586c62e787f5012e8475fbb12185bafb996a03257e9675cd73d3736dd"},
|
||||
{file = "scipy-1.9.3-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:1a72d885fa44247f92743fc20732ae55564ff2a519e8302fb7e18717c5355a8b"},
|
||||
{file = "scipy-1.9.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:d01e1dd7b15bd2449c8bfc6b7cc67d630700ed655654f0dfcf121600bad205c9"},
|
||||
{file = "scipy-1.9.3-cp310-cp310-win_amd64.whl", hash = "sha256:68239b6aa6f9c593da8be1509a05cb7f9efe98b80f43a5861cd24c7557e98523"},
|
||||
{file = "scipy-1.9.3-cp311-cp311-macosx_10_9_x86_64.whl", hash = "sha256:b41bc822679ad1c9a5f023bc93f6d0543129ca0f37c1ce294dd9d386f0a21096"},
|
||||
{file = "scipy-1.9.3-cp311-cp311-macosx_12_0_arm64.whl", hash = "sha256:90453d2b93ea82a9f434e4e1cba043e779ff67b92f7a0e85d05d286a3625df3c"},
|
||||
{file = "scipy-1.9.3-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:83c06e62a390a9167da60bedd4575a14c1f58ca9dfde59830fc42e5197283dab"},
|
||||
{file = "scipy-1.9.3-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:abaf921531b5aeaafced90157db505e10345e45038c39e5d9b6c7922d68085cb"},
|
||||
{file = "scipy-1.9.3-cp311-cp311-win_amd64.whl", hash = "sha256:06d2e1b4c491dc7d8eacea139a1b0b295f74e1a1a0f704c375028f8320d16e31"},
|
||||
{file = "scipy-1.9.3-cp38-cp38-macosx_10_9_x86_64.whl", hash = "sha256:5a04cd7d0d3eff6ea4719371cbc44df31411862b9646db617c99718ff68d4840"},
|
||||
{file = "scipy-1.9.3-cp38-cp38-macosx_12_0_arm64.whl", hash = "sha256:545c83ffb518094d8c9d83cce216c0c32f8c04aaf28b92cc8283eda0685162d5"},
|
||||
{file = "scipy-1.9.3-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:0d54222d7a3ba6022fdf5773931b5d7c56efe41ede7f7128c7b1637700409108"},
|
||||
{file = "scipy-1.9.3-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:cff3a5295234037e39500d35316a4c5794739433528310e117b8a9a0c76d20fc"},
|
||||
{file = "scipy-1.9.3-cp38-cp38-win_amd64.whl", hash = "sha256:2318bef588acc7a574f5bfdff9c172d0b1bf2c8143d9582e05f878e580a3781e"},
|
||||
{file = "scipy-1.9.3-cp39-cp39-macosx_10_9_x86_64.whl", hash = "sha256:d644a64e174c16cb4b2e41dfea6af722053e83d066da7343f333a54dae9bc31c"},
|
||||
{file = "scipy-1.9.3-cp39-cp39-macosx_12_0_arm64.whl", hash = "sha256:da8245491d73ed0a994ed9c2e380fd058ce2fa8a18da204681f2fe1f57f98f95"},
|
||||
{file = "scipy-1.9.3-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:4db5b30849606a95dcf519763dd3ab6fe9bd91df49eba517359e450a7d80ce2e"},
|
||||
{file = "scipy-1.9.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:c68db6b290cbd4049012990d7fe71a2abd9ffbe82c0056ebe0f01df8be5436b0"},
|
||||
{file = "scipy-1.9.3-cp39-cp39-win_amd64.whl", hash = "sha256:5b88e6d91ad9d59478fafe92a7c757d00c59e3bdc3331be8ada76a4f8d683f58"},
|
||||
{file = "scipy-1.9.3.tar.gz", hash = "sha256:fbc5c05c85c1a02be77b1ff591087c83bc44579c6d2bd9fb798bb64ea5e1a027"},
|
||||
{file = "scipy-1.11.4-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:bc9a714581f561af0848e6b69947fda0614915f072dfd14142ed1bfe1b806710"},
|
||||
{file = "scipy-1.11.4-cp310-cp310-macosx_12_0_arm64.whl", hash = "sha256:cf00bd2b1b0211888d4dc75656c0412213a8b25e80d73898083f402b50f47e41"},
|
||||
{file = "scipy-1.11.4-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:b9999c008ccf00e8fbcce1236f85ade5c569d13144f77a1946bef8863e8f6eb4"},
|
||||
{file = "scipy-1.11.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:933baf588daa8dc9a92c20a0be32f56d43faf3d1a60ab11b3f08c356430f6e56"},
|
||||
{file = "scipy-1.11.4-cp310-cp310-musllinux_1_1_x86_64.whl", hash = "sha256:8fce70f39076a5aa62e92e69a7f62349f9574d8405c0a5de6ed3ef72de07f446"},
|
||||
{file = "scipy-1.11.4-cp310-cp310-win_amd64.whl", hash = "sha256:6550466fbeec7453d7465e74d4f4b19f905642c89a7525571ee91dd7adabb5a3"},
|
||||
{file = "scipy-1.11.4-cp311-cp311-macosx_10_9_x86_64.whl", hash = "sha256:f313b39a7e94f296025e3cffc2c567618174c0b1dde173960cf23808f9fae4be"},
|
||||
{file = "scipy-1.11.4-cp311-cp311-macosx_12_0_arm64.whl", hash = "sha256:1b7c3dca977f30a739e0409fb001056484661cb2541a01aba0bb0029f7b68db8"},
|
||||
{file = "scipy-1.11.4-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:00150c5eae7b610c32589dda259eacc7c4f1665aedf25d921907f4d08a951b1c"},
|
||||
{file = "scipy-1.11.4-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:530f9ad26440e85766509dbf78edcfe13ffd0ab7fec2560ee5c36ff74d6269ff"},
|
||||
{file = "scipy-1.11.4-cp311-cp311-musllinux_1_1_x86_64.whl", hash = "sha256:5e347b14fe01003d3b78e196e84bd3f48ffe4c8a7b8a1afbcb8f5505cb710993"},
|
||||
{file = "scipy-1.11.4-cp311-cp311-win_amd64.whl", hash = "sha256:acf8ed278cc03f5aff035e69cb511741e0418681d25fbbb86ca65429c4f4d9cd"},
|
||||
{file = "scipy-1.11.4-cp312-cp312-macosx_10_9_x86_64.whl", hash = "sha256:028eccd22e654b3ea01ee63705681ee79933652b2d8f873e7949898dda6d11b6"},
|
||||
{file = "scipy-1.11.4-cp312-cp312-macosx_12_0_arm64.whl", hash = "sha256:2c6ff6ef9cc27f9b3db93a6f8b38f97387e6e0591600369a297a50a8e96e835d"},
|
||||
{file = "scipy-1.11.4-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:b030c6674b9230d37c5c60ab456e2cf12f6784596d15ce8da9365e70896effc4"},
|
||||
{file = "scipy-1.11.4-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:ad669df80528aeca5f557712102538f4f37e503f0c5b9541655016dd0932ca79"},
|
||||
{file = "scipy-1.11.4-cp312-cp312-musllinux_1_1_x86_64.whl", hash = "sha256:ce7fff2e23ab2cc81ff452a9444c215c28e6305f396b2ba88343a567feec9660"},
|
||||
{file = "scipy-1.11.4-cp312-cp312-win_amd64.whl", hash = "sha256:36750b7733d960d7994888f0d148d31ea3017ac15eef664194b4ef68d36a4a97"},
|
||||
{file = "scipy-1.11.4-cp39-cp39-macosx_10_9_x86_64.whl", hash = "sha256:6e619aba2df228a9b34718efb023966da781e89dd3d21637b27f2e54db0410d7"},
|
||||
{file = "scipy-1.11.4-cp39-cp39-macosx_12_0_arm64.whl", hash = "sha256:f3cd9e7b3c2c1ec26364856f9fbe78695fe631150f94cd1c22228456404cf1ec"},
|
||||
{file = "scipy-1.11.4-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:d10e45a6c50211fe256da61a11c34927c68f277e03138777bdebedd933712fea"},
|
||||
{file = "scipy-1.11.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:91af76a68eeae0064887a48e25c4e616fa519fa0d38602eda7e0f97d65d57937"},
|
||||
{file = "scipy-1.11.4-cp39-cp39-musllinux_1_1_x86_64.whl", hash = "sha256:6df1468153a31cf55ed5ed39647279beb9cfb5d3f84369453b49e4b8502394fd"},
|
||||
{file = "scipy-1.11.4-cp39-cp39-win_amd64.whl", hash = "sha256:ee410e6de8f88fd5cf6eadd73c135020bfbbbdfcd0f6162c36a7638a1ea8cc65"},
|
||||
{file = "scipy-1.11.4.tar.gz", hash = "sha256:90a2b78e7f5733b9de748f589f09225013685f9b218275257f8a8168ededaeaa"},
|
||||
]
|
||||
|
||||
[package.dependencies]
|
||||
numpy = ">=1.18.5,<1.26.0"
|
||||
numpy = ">=1.21.6,<1.28.0"
|
||||
|
||||
[package.extras]
|
||||
dev = ["flake8", "mypy", "pycodestyle", "typing_extensions"]
|
||||
doc = ["matplotlib (>2)", "numpydoc", "pydata-sphinx-theme (==0.9.0)", "sphinx (!=4.1.0)", "sphinx-panels (>=0.5.2)", "sphinx-tabs"]
|
||||
test = ["asv", "gmpy2", "mpmath", "pytest", "pytest-cov", "pytest-xdist", "scikit-umfpack", "threadpoolctl"]
|
||||
dev = ["click", "cython-lint (>=0.12.2)", "doit (>=0.36.0)", "mypy", "pycodestyle", "pydevtool", "rich-click", "ruff", "types-psutil", "typing_extensions"]
|
||||
doc = ["jupytext", "matplotlib (>2)", "myst-nb", "numpydoc", "pooch", "pydata-sphinx-theme (==0.9.0)", "sphinx (!=4.1.0)", "sphinx-design (>=0.2.0)"]
|
||||
test = ["asv", "gmpy2", "mpmath", "pooch", "pytest", "pytest-cov", "pytest-timeout", "pytest-xdist", "scikit-umfpack", "threadpoolctl"]
|
||||
|
||||
[[package]]
|
||||
name = "six"
|
||||
|
|
@ -2372,6 +2345,17 @@ files = [
|
|||
docs = ["myst-parser", "pydata-sphinx-theme", "sphinx"]
|
||||
test = ["argcomplete (>=3.0.3)", "mypy (>=1.6.0)", "pre-commit", "pytest (>=7.0,<7.5)", "pytest-mock", "pytest-mypy-testing"]
|
||||
|
||||
[[package]]
|
||||
name = "types-pytz"
|
||||
version = "2023.3.1.1"
|
||||
description = "Typing stubs for pytz"
|
||||
optional = false
|
||||
python-versions = "*"
|
||||
files = [
|
||||
{file = "types-pytz-2023.3.1.1.tar.gz", hash = "sha256:cc23d0192cd49c8f6bba44ee0c81e4586a8f30204970fc0894d209a6b08dab9a"},
|
||||
{file = "types_pytz-2023.3.1.1-py3-none-any.whl", hash = "sha256:1999a123a3dc0e39a2ef6d19f3f8584211de9e6a77fe7a0259f04a524e90a5cf"},
|
||||
]
|
||||
|
||||
[[package]]
|
||||
name = "typing-extensions"
|
||||
version = "4.8.0"
|
||||
|
|
@ -2488,4 +2472,4 @@ files = [
|
|||
[metadata]
|
||||
lock-version = "2.0"
|
||||
python-versions = "^3.10"
|
||||
content-hash = "d124252a927f493cd39e007bc208fbbe80fb35d668140e5122f091c69d3ce7df"
|
||||
content-hash = "036900e0883a559f83033add6bf8aa6f3178bd1c8fe8ea68bf504610157a1543"
|
||||
|
|
|
|||
|
|
@ -12,6 +12,7 @@ pandas = "^2.0.3"
|
|||
jinja2 = "^3.1.2"
|
||||
pyyaml = "^6.0.1"
|
||||
logging = "^0.4.9.6"
|
||||
abstention = "^0.1.3.1"
|
||||
|
||||
[tool.poetry.scripts]
|
||||
main = "quacc.main:main"
|
||||
|
|
@ -19,6 +20,7 @@ run = "run:run"
|
|||
panel = "qcpanel.run:run"
|
||||
sync_up = "remote:sync_code"
|
||||
sync_down = "remote:sync_output"
|
||||
merge_data = "merge_data:run"
|
||||
|
||||
|
||||
[tool.poetry.group.dev.dependencies]
|
||||
|
|
@ -32,6 +34,7 @@ panel = "^1.3.1"
|
|||
ipympl = "^0.9.3"
|
||||
ipykernel = "^6.26.0"
|
||||
ipywidgets-bokeh = "^1.5.0"
|
||||
pandas-stubs = "^2.1.1.230928"
|
||||
|
||||
[tool.pytest.ini_options]
|
||||
addopts = "--cov=quacc --capture=tee-sys"
|
||||
|
|
|
|||
Loading…
Reference in New Issue