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remove duplicate in dep declare
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DanielYang59 committed Oct 13, 2024
1 parent a4f88e3 commit 5b862e2
Showing 1 changed file with 2 additions and 6 deletions.
8 changes: 2 additions & 6 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -90,34 +90,30 @@ Pypi = "https://pypi.org/project/pymatgen"
ase = ["ase>=3.23.0"]
# tblite only support Python 3.12+ through conda-forge
# https://github.com/tblite/tblite/issues/175
tblite = ["tblite[ase]>=0.3.0; python_version<'3.12'"]
tblite = ["tblite[ase]>=0.3.0; platform_system=='Linux' and python_version<'3.12'"]
vis = ["vtk>=6.0.0"]
abinit = ["netcdf4>=1.7.1"]
mlp = ["chgnet>=0.3.8", "matgl>=1.1.3"]
electronic_structure = ["fdint>=2.0.2"]
ci = ["pytest-cov>=4", "pytest-split>=0.8", "pytest>=8"]
docs = ["invoke", "sphinx", "sphinx_markdown_builder", "sphinx_rtd_theme"]
optional = [
"ase>=3.23.0",
"[pymatgen[abinit,ase,mlp,tblite]]",
"beautifulsoup4>=4.6.0",
# BoltzTraP2 build fails on Windows GitHub runners
"BoltzTraP2>=24.9.4 ; platform_system != 'Windows'",
"chemview>=0.6",
"chgnet>=0.3.8",
"f90nml>=1.1.2",
"galore>=0.6.1",
"h5py>=3.11.0",
"jarvis-tools>=2020.7.14",
"matgl>=1.1.3",
"matplotlib>=3.8",
"netCDF4>=1.6.5",
"phonopy>=2.23",
"seekpath>=2.0.1",
# tblite only support Python 3.12+ through conda-forge
# https://github.com/tblite/tblite/issues/175
"hiphive>=1.3.1",
"openbabel-wheel>=3.1.1.20",
"tblite[ase]>=0.3.0; platform_system=='Linux' and python_version<'3.12'",
]
numba = ["numba>=0.55"]
numpy-v1 = ["numpy>=1.25.0,<2"] # Test NP1 on Windows (quite buggy ATM)
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