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5 changes: 3 additions & 2 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -74,7 +74,8 @@ docs = [
"sphinx_rtd_theme==3.0.2",
"readthedocs-sphinx-search==0.3.2",
"sphinx-book-theme==1.1.3",
"myst-nb==1.1.2"
"myst-nb==1.1.2",
"tornado>=6.5"
]
mp = ["mp-api>=0.45.3"]
crystal_space = ["smact[mp]",
Expand Down Expand Up @@ -110,7 +111,6 @@ strict = [
"pydantic==2.9.2",
"mp-api==0.45.5",
"pymatviz==0.15.1",
"mp-api==0.45.5",
"seaborn==0.13.2",
"pymatgen==2025.4.24",
"matminer==0.9.3",
Expand Down Expand Up @@ -363,4 +363,5 @@ dev = [
"sphinx==8.1.3",
"sphinx-book-theme==1.1.3",
"sphinx-rtd-theme==3.0.2",
"tornado>=6.5",
]
50 changes: 26 additions & 24 deletions requirements.txt
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ alabaster==1.0.0
# via sphinx
annotated-types==0.7.0
# via pydantic
appnope==0.1.4 ; platform_system == 'Darwin'
appnope==0.1.4 ; sys_platform == 'darwin'
# via ipykernel
ase==3.24.0
# via smact (pyproject.toml)
Expand All @@ -30,6 +30,8 @@ bcrypt==4.3.0
# via paramiko
beautifulsoup4==4.13.3
# via pydata-sphinx-theme
bibtexparser==1.4.3
# via pymatgen
black==25.1.0
# via blacken-docs
blacken-docs==1.19.1
Expand Down Expand Up @@ -60,7 +62,7 @@ cloudpickle==3.1.1
# via shap
codespell==2.4.1
# via smact (pyproject.toml)
colorama==0.4.6 ; sys_platform == 'win32' or platform_system == 'Windows'
colorama==0.4.6 ; sys_platform == 'win32'
# via
# click
# ipython
Expand All @@ -79,19 +81,14 @@ cycler==0.12.1
# via matplotlib
dash==3.0.2
# via smact (pyproject.toml)
dash-core-components==2.0.0
# via dash
dash-html-components==2.0.0
# via dash
dash-table==5.0.0
# via dash
debugpy==1.8.13
# via ipykernel
decorator==5.2.1
# via ipython
dill==0.3.8
# via
# multiprocess
# pandarallel
# pathos
dnspython==2.7.0
# via
Expand All @@ -107,10 +104,6 @@ elementembeddings==0.6.1
# via smact (pyproject.toml)
emmet-core==0.84.5
# via mp-api
exceptiongroup==1.2.2 ; python_full_version < '3.11'
# via
# ipython
# pytest
executing==2.2.0
# via stack-data
fastjsonschema==2.21.1
Expand Down Expand Up @@ -205,13 +198,16 @@ matplotlib==3.9.3
# adjusttext
# ase
# elementembeddings
# matplotlib-venn
# pymatgen
# pymatviz
# seaborn
matplotlib-inline==0.1.7
# via
# ipykernel
# ipython
matplotlib-venn==1.1.2
# via smact (pyproject.toml)
mdit-py-plugins==0.4.2
# via myst-parser
mdurl==0.1.2
Expand Down Expand Up @@ -277,6 +273,7 @@ numpy==1.26.2
# maggma
# matminer
# matplotlib
# matplotlib-venn
# monty
# numba
# opentsne
Expand All @@ -287,10 +284,11 @@ numpy==1.26.2
# scipy
# seaborn
# shap
# shapely
# spglib
# umap-learn
# xgboost
nvidia-nccl-cu12==2.26.2 ; platform_machine != 'aarch64' and platform_system == 'Linux'
nvidia-nccl-cu12==2.26.2 ; platform_machine != 'aarch64' and sys_platform == 'linux'
# via xgboost
opentsne==1.0.2
# via elementembeddings
Expand All @@ -308,11 +306,14 @@ packaging==24.0
# sphinx
palettable==3.3.3
# via pymatgen
pandarallel==1.6.5
# via smact (pyproject.toml)
pandas==2.2.3
# via
# smact (pyproject.toml)
# maggma
# matminer
# pandarallel
# pymatgen
# pymatviz
# seaborn
Expand Down Expand Up @@ -347,15 +348,15 @@ ppft==1.7.6.8
prompt-toolkit==3.0.50
# via ipython
psutil==7.0.0
# via ipykernel
# via
# ipykernel
# pandarallel
ptyprocess==0.7.0 ; sys_platform != 'emscripten' and sys_platform != 'win32'
# via pexpect
pure-eval==0.2.3
# via stack-data
pybtex==0.24.0
# via
# emmet-core
# pymatgen
# via emmet-core
pycparser==2.22
# via cffi
pydantic==2.9.2
Expand Down Expand Up @@ -399,7 +400,9 @@ pynacl==1.5.0
pynndescent==0.5.13
# via umap-learn
pyparsing==3.1.1
# via matplotlib
# via
# bibtexparser
# matplotlib
pyright==1.1.398
# via smact (pyproject.toml)
pytest==8.3.5
Expand Down Expand Up @@ -479,6 +482,7 @@ scipy==1.14.1
# adjusttext
# ase
# elementembeddings
# matplotlib-venn
# opentsne
# pymatgen
# pymatviz
Expand All @@ -500,6 +504,8 @@ setuptools==78.1.1
# mp-api
shap==0.46.0
# via smact (pyproject.toml)
shapely==2.1.2
# via matplotlib-venn
six==1.16.0
# via
# latexcodec
Expand Down Expand Up @@ -565,13 +571,10 @@ tenacity==8.2.3
threadpoolctl==3.6.0
# via scikit-learn
tomli==2.2.1 ; python_full_version <= '3.11'
# via
# black
# coverage
# pytest
# sphinx
# via coverage
tornado==6.5.1
# via
# smact (pyproject.toml)
# ipykernel
# jupyter-client
tqdm==4.67.1
Expand All @@ -595,7 +598,6 @@ typing-extensions==4.12.2
# via
# smact (pyproject.toml)
# beautifulsoup4
# black
# dash
# elementembeddings
# emmet-core
Expand Down