From c8320c5844fb943ded59b3a5a27ebb3d37f51e06 Mon Sep 17 00:00:00 2001 From: Janosh Riebesell Date: Sat, 1 Jun 2024 08:26:16 -0400 Subject: [PATCH] matgl>=1.1.1 numba>=0.55 --- setup.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/setup.py b/setup.py index d87684754fd..1677546b2c8 100644 --- a/setup.py +++ b/setup.py @@ -52,7 +52,7 @@ "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", @@ -81,7 +81,7 @@ "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 @@ -89,7 +89,7 @@ # "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.