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Update to released metatensor
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Luthaf committed Oct 16, 2023
1 parent 82195f6 commit 471db81
Showing 1 changed file with 15 additions and 14 deletions.
29 changes: 15 additions & 14 deletions setup.py
Original file line number Diff line number Diff line change
@@ -1,31 +1,32 @@
from setuptools import setup, find_packages
import sys
import subprocess

from setuptools import find_packages, setup

# Detecting if pytorch with or without CUDA support should be installed
try:
subprocess.check_output('nvidia-smi')
subprocess.check_output("nvidia-smi")
HAS_NVIDIA = True
except:
HAS_NVIDIA = False

if HAS_NVIDIA:
dependency_links = []
else:
dependency_links = ['https://download.pytorch.org/whl/cpu']
print("torch_spex setup info: Did not find NVIDIA card defaulting to CPU-only installation")
dependency_links = ["https://download.pytorch.org/whl/cpu"]
print(
"torch_spex setup info: Did not find NVIDIA card, defaulting to CPU-only installation"
)

setup(
name='torch_spex',
packages = find_packages(),
name="torch_spex",
packages=find_packages(),
install_requires=[
'sphericart[torch] @ git+https://github.com/lab-cosmo/sphericart.git@ecf4145', # pre-built wheels don't work
'numpy',
'ase',
'torch',
'scipy',
'metatensor[torch] @ https://github.com/lab-cosmo/metatensor/archive/2248a3c.zip',
"sphericart[torch] @ git+https://github.com/lab-cosmo/sphericart.git@ecf4145", # pre-built wheels don't work
"numpy",
"ase",
"torch",
"scipy",
"metatensor[torch]",
],
dependency_links = dependency_links
dependency_links=dependency_links,
)

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