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matgl>=1.1.1 numba>=0.55
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janosh committed Jun 1, 2024
1 parent 9a01a84 commit c8320c5
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions setup.py
Original file line number Diff line number Diff line change
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"tblite": ["tblite[ase]>=0.3.0; python_version<'3.12'"],
"vis": ["vtk>=6.0.0"],
"abinit": ["netcdf4>=1.6"],
"relaxation": ["matgl", "chgnet==0.3.5"],
"relaxation": ["matgl>=1.1.1", "chgnet==0.3.5"],
"electronic_structure": ["fdint>=2.0.2"],
"dev": [
"mypy>=1.10.0",
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"h5py>=3.8.0",
"jarvis-tools>=2020.7.14",
"matgl>=1.1.1",
"netCDF4>=1.5.8",
"netCDF4>=1.6",
"phonopy>=2.4.2",
"seekpath>=1.9.4",
# don't depend on tblite above 3.11 since unsupported https://github.com/tblite/tblite/issues/175
"tblite[ase]>=0.3.0; platform_system=='Linux' and python_version<'3.12'",
# "hiphive>=0.6",
# "openbabel>=3.1.1; platform_system=='Linux'",
],
"numba": ["numba"],
"numba": ["numba>=0.55"],
},
# All package data has to be explicitly defined. Do not use automated codes like last time. It adds
# all sorts of useless files like test files and is prone to path errors.
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