Open bananenpampe opened 5 months ago
this is the full error message:
Building wheel for rascaline-torch (pyproject.toml) ... error
error: subprocess-exited-with-error
× Building wheel for rascaline-torch (pyproject.toml) did not run successfully.
│ exit code: 1
╰─> [102 lines of output]
running bdist_wheel
running build
running build_py
creating build
creating build/lib.linux-x86_64-cpython-310
creating build/lib.linux-x86_64-cpython-310/rascaline
creating build/lib.linux-x86_64-cpython-310/rascaline/torch
copying rascaline/torch/calculators.py -> build/lib.linux-x86_64-cpython-310/rascaline/torch
copying rascaline/torch/__init__.py -> build/lib.linux-x86_64-cpython-310/rascaline/torch
copying rascaline/torch/system.py -> build/lib.linux-x86_64-cpython-310/rascaline/torch
copying rascaline/torch/calculator_base.py -> build/lib.linux-x86_64-cpython-310/rascaline/torch
copying rascaline/torch/_c_lib.py -> build/lib.linux-x86_64-cpython-310/rascaline/torch
copying rascaline/torch/utils.py -> build/lib.linux-x86_64-cpython-310/rascaline/torch
running egg_info
writing rascaline_torch.egg-info/PKG-INFO
writing dependency_links to rascaline_torch.egg-info/dependency_links.txt
writing requirements to rascaline_torch.egg-info/requires.txt
writing top-level names to rascaline_torch.egg-info/top_level.txt
reading manifest file 'rascaline_torch.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
warning: no previously-included files matching '*.pyc' found anywhere in distribution
warning: no previously-included files matching '.DS_Store' found anywhere in distribution
warning: no files found matching 'rascaline-torch.tar.gz'
adding license file 'LICENSE'
adding license file 'AUTHORS'
writing manifest file 'rascaline_torch.egg-info/SOURCES.txt'
running build_ext
Not searching for unused variables given on the command line.
-- Running CMake version 3.29.3
-- The CXX compiler identification is GNU 7.5.0
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
CUDA_TOOLKIT_ROOT_DIR not found or specified
-- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY)
CMake Warning at /tmp/pip-build-env-5lqlxsvc/normal/lib/python3.10/site-packages/torch/share/cmake/Caffe2/public/cuda.cmake:31 (message):
Caffe2: CUDA cannot be found. Depending on whether you are building Caffe2
or a Caffe2 dependent library, the next warning / error will give you more
info.
Call Stack (most recent call first):
/tmp/pip-build-env-5lqlxsvc/normal/lib/python3.10/site-packages/torch/share/cmake/Caffe2/Caffe2Config.cmake:87 (include)
/tmp/pip-build-env-5lqlxsvc/normal/lib/python3.10/site-packages/torch/share/cmake/Torch/TorchConfig.cmake:68 (find_package)
CMakeLists.txt:56 (find_package)
CMake Error at /tmp/pip-build-env-5lqlxsvc/normal/lib/python3.10/site-packages/torch/share/cmake/Caffe2/Caffe2Config.cmake:91 (message):
Your installed Caffe2 version uses CUDA but I cannot find the CUDA
libraries. Please set the proper CUDA prefixes and / or install CUDA.
Call Stack (most recent call first):
/tmp/pip-build-env-5lqlxsvc/normal/lib/python3.10/site-packages/torch/share/cmake/Torch/TorchConfig.cmake:68 (find_package)
CMakeLists.txt:56 (find_package)
-- Configuring incomplete, errors occurred!
Traceback (most recent call last):
and these are the pip list:
Package Version Editable project location
--------------------- ------------ --------------------------
aiohttp 3.9.5
aiosignal 1.3.1
appdirs 1.4.4
ase 3.22.1
async-timeout 4.0.3
attrs 23.2.0
certifi 2024.2.2
charset-normalizer 3.3.2
click 8.1.7
cmake 3.29.3
contourpy 1.2.1
cycler 0.12.1
docker-pycreds 0.4.0
filelock 3.14.0
fonttools 4.52.4
frozenlist 1.4.1
fsspec 2024.5.0
gitdb 4.0.11
GitPython 3.1.43
idna 3.7
ipi 3.0.0a2 /home/kellner/install/i-pi
Jinja2 3.1.4
kiwisolver 1.4.5
lightning-utilities 0.11.2
MarkupSafe 2.1.5
matplotlib 3.9.0
metatensor 0.2.0
metatensor-core 0.1.8
metatensor-learn 0.2.2
metatensor-operations 0.2.1
metatensor-torch 0.5.1
mpmath 1.3.0
multidict 6.0.5
networkx 3.3
numpy 1.26.4
packaging 24.0
pathtools 0.1.2
pillow 10.3.0
pip 24.0
plumed 2.9.0
protobuf 4.25.3
psutil 5.9.8
pyparsing 3.1.2
python-dateutil 2.9.0.post0
pytorch-lightning 2.0.8
PyYAML 6.0.1
rascaline 0.1.0.dev546
requests 2.32.2
scipy 1.13.1
sentry-sdk 2.3.1
setproctitle 1.3.3
setuptools 70.0.0
six 1.16.0
smmap 5.0.1
sympy 1.12
torch 2.3.0+cpu
torchmetrics 1.4.0.post0
tqdm 4.66.4
typing_extensions 4.12.0
urllib3 2.2.1
wandb 0.15.10
wheel 0.43.0
wigners 0.3.0
yarl 1.9.4
This is the usual issue with Torch's CMake files on Linux: https://github.com/pytorch/pytorch/issues/78530. They try to find a CUDA compiler even if there is no CUDA code to compile.
The workaround is to build against the CPU version of torch, by running pip install --extra-index-url https://download.pytorch.org/whl/cpu rascaline-torch ...
(or equivalently, exporting PIP_EXTRA_INDEX_URL=https://download.pytorch.org/whl/cpu
)
This is happening even if you already installed the CPU only version of torch; because pip does build isolation by default and re-install all dependencies in a fresh virtual environment to build the code. This means you either need to pass the flag to all installation (which is what the environment variable does) or disable build isolation in pip.
Hello,
I am trying to make this installscript run. On my M1 mac it runs without problems, on cosmosrv it yields this error:
CUDA_TOOLKIT_ROOT_DIR not found or specified
what can be done to fix it?