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pin boltztrap2 for compatibility #504

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Merged
esoteric-ephemera merged 6 commits into from
Jan 22, 2026
Merged

pin boltztrap2 for compatibility #504

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382c789
ensure consistent c compiler for boltztrap
esoteric-ephemera Jan 22, 2026
054f57c
try building boltztrap2 separately
esoteric-ephemera Jan 22, 2026
067ce7b
pin boltztrap
esoteric-ephemera Jan 22, 2026
7639dc1
bump deps
esoteric-ephemera Jan 22, 2026
8a32507
bump deps
esoteric-ephemera Jan 22, 2026
a851dcb
bump deps
esoteric-ephemera Jan 22, 2026
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3 changes: 2 additions & 1 deletion pyproject.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -22,7 +22,8 @@ dependencies = [
"scikit-learn",
"shapely",
"webcolors",
"ipython"
"ipython",
"boltztrap2<25.11.1", # compilation issue when installing via pip
]

[project.optional-dependencies]
Expand Down
31 changes: 27 additions & 4 deletions requirements/ubuntu-latest_py3.11.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,8 @@
#
annotated-types==0.7.0
# via pydantic
ase==3.27.0
# via boltztrap2
asttokens==3.0.1
# via stack-data
bibtexparser==1.4.3
Expand All @@ -14,6 +16,8 @@ blake3==1.0.8
# via emmet-core
blinker==1.9.0
# via flask
boltztrap2==25.3.1
# via crystal_toolkit (pyproject.toml)
boto3==1.42.33
# via mp-api
botocore==1.42.33
Expand All @@ -23,7 +27,11 @@ botocore==1.42.33
cachelib==0.13.0
# via flask-caching
certifi==2026.1.4
# via requests
# via
# netcdf4
# requests
cftime==1.6.5
# via netcdf4
charset-normalizer==3.4.4
# via requests
click==8.3.1
Expand All @@ -32,6 +40,8 @@ contourpy==1.3.3
# via matplotlib
cycler==0.12.1
# via matplotlib
cython==3.2.4
# via boltztrap2
dash==3.4.0
# via crystal_toolkit (pyproject.toml)
dash-mp-components==0.5.0rc0
Expand Down Expand Up @@ -88,7 +98,10 @@ markupsafe==3.0.3
# jinja2
# werkzeug
matplotlib==3.10.8
# via pymatgen
# via
# ase
# boltztrap2
# pymatgen
matplotlib-inline==0.2.1
# via ipython
monty==2025.3.3
Expand All @@ -106,16 +119,22 @@ narwhals==2.15.0
# via plotly
nest-asyncio==1.6.0
# via dash
netcdf4==1.7.4
# via boltztrap2
networkx==3.6.1
# via
# pymatgen
# scikit-image
numpy==2.4.1
# via
# ase
# boltztrap2
# cftime
# contourpy
# imageio
# matplotlib
# monty
# netcdf4
# pandas
# pymatgen
# pymatgen-io-validation
Expand Down Expand Up @@ -217,6 +236,8 @@ scikit-learn==1.8.0
# via crystal_toolkit (pyproject.toml)
scipy==1.17.0
# via
# ase
# boltztrap2
# pymatgen
# scikit-image
# scikit-learn
Expand All @@ -227,7 +248,9 @@ six==1.17.0
smart-open==7.5.0
# via mp-api
spglib==2.7.0
# via pymatgen
# via
# boltztrap2
# pymatgen
stack-data==0.6.3
# via ipython
sympy==1.14.0
Expand Down Expand Up @@ -265,7 +288,7 @@ urllib3==2.6.3
# via
# botocore
# requests
wcwidth==0.3.0
wcwidth==0.3.1
# via prompt-toolkit
webcolors==25.10.0
# via crystal_toolkit (pyproject.toml)
Expand Down
8 changes: 5 additions & 3 deletions requirements/ubuntu-latest_py3.11_extras.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -68,8 +68,10 @@ bleach[css]==6.3.0
# via nbconvert
blinker==1.9.0
# via flask
boltztrap2==25.11.1
# via ifermi
boltztrap2==25.3.1
# via
# crystal_toolkit (pyproject.toml)
# ifermi
boto3==1.42.33
# via mp-api
botocore==1.42.33
Expand Down Expand Up @@ -1030,7 +1032,7 @@ vtk==9.5.2
# via dash-vtk
waitress==3.0.2
# via dash
wcwidth==0.3.0
wcwidth==0.3.1
# via prompt-toolkit
webcolors==25.10.0
# via
Expand Down
31 changes: 27 additions & 4 deletions requirements/ubuntu-latest_py3.12.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,8 @@
#
annotated-types==0.7.0
# via pydantic
ase==3.27.0
# via boltztrap2
asttokens==3.0.1
# via stack-data
bibtexparser==1.4.3
Expand All @@ -14,6 +16,8 @@ blake3==1.0.8
# via emmet-core
blinker==1.9.0
# via flask
boltztrap2==25.3.1
# via crystal_toolkit (pyproject.toml)
boto3==1.42.33
# via mp-api
botocore==1.42.33
Expand All @@ -23,7 +27,11 @@ botocore==1.42.33
cachelib==0.13.0
# via flask-caching
certifi==2026.1.4
# via requests
# via
# netcdf4
# requests
cftime==1.6.5
# via netcdf4
charset-normalizer==3.4.4
# via requests
click==8.3.1
Expand All @@ -32,6 +40,8 @@ contourpy==1.3.3
# via matplotlib
cycler==0.12.1
# via matplotlib
cython==3.2.4
# via boltztrap2
dash==3.4.0
# via crystal_toolkit (pyproject.toml)
dash-mp-components==0.5.0rc0
Expand Down Expand Up @@ -88,7 +98,10 @@ markupsafe==3.0.3
# jinja2
# werkzeug
matplotlib==3.10.8
# via pymatgen
# via
# ase
# boltztrap2
# pymatgen
matplotlib-inline==0.2.1
# via ipython
monty==2025.3.3
Expand All @@ -106,16 +119,22 @@ narwhals==2.15.0
# via plotly
nest-asyncio==1.6.0
# via dash
netcdf4==1.7.4
# via boltztrap2
networkx==3.6.1
# via
# pymatgen
# scikit-image
numpy==2.4.1
# via
# ase
# boltztrap2
# cftime
# contourpy
# imageio
# matplotlib
# monty
# netcdf4
# pandas
# pymatgen
# pymatgen-io-validation
Expand Down Expand Up @@ -217,6 +236,8 @@ scikit-learn==1.8.0
# via crystal_toolkit (pyproject.toml)
scipy==1.17.0
# via
# ase
# boltztrap2
# pymatgen
# scikit-image
# scikit-learn
Expand All @@ -227,7 +248,9 @@ six==1.17.0
smart-open==7.5.0
# via mp-api
spglib==2.7.0
# via pymatgen
# via
# boltztrap2
# pymatgen
stack-data==0.6.3
# via ipython
sympy==1.14.0
Expand Down Expand Up @@ -263,7 +286,7 @@ urllib3==2.6.3
# via
# botocore
# requests
wcwidth==0.3.0
wcwidth==0.3.1
# via prompt-toolkit
webcolors==25.10.0
# via crystal_toolkit (pyproject.toml)
Expand Down
8 changes: 5 additions & 3 deletions requirements/ubuntu-latest_py3.12_extras.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -68,8 +68,10 @@ bleach[css]==6.3.0
# via nbconvert
blinker==1.9.0
# via flask
boltztrap2==25.11.1
# via ifermi
boltztrap2==25.3.1
# via
# crystal_toolkit (pyproject.toml)
# ifermi
boto3==1.42.33
# via mp-api
botocore==1.42.33
Expand Down Expand Up @@ -1024,7 +1026,7 @@ vtk==9.5.2
# via dash-vtk
waitress==3.0.2
# via dash
wcwidth==0.3.0
wcwidth==0.3.1
# via prompt-toolkit
webcolors==25.10.0
# via
Expand Down
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