From c9f995f20b3e0589c0c56e4995a01730c135ec47 Mon Sep 17 00:00:00 2001 From: "Haoyu (Daniel)" Date: Sun, 13 Oct 2024 11:56:59 +0800 Subject: [PATCH] remove duplicate in dep declare --- pyproject.toml | 8 ++------ 1 file changed, 2 insertions(+), 6 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 49aa41805c3..6442d024663 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -90,7 +90,7 @@ 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"] @@ -98,26 +98,22 @@ 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)