Remember use the normal environment file that takes long time but eventually it works. You will face problem with version of torch, torch_sparse, torch_scatter, torch_cluster and torch_spline_conv. Try to install these mentioning their cuda compatibility. Like in my case it was cuda 11.1. As I installed torch 1.9.0 with cuda 11.1.
Try to install these packages if want to run cdvae. Package Version Editable project location
absl-py 1.4.0 aflow 0.0.11 aiohttp 3.8.5 aiosignal 1.3.1 altair 5.1.2 antlr4-python3-runtime 4.8 anyio 4.0.0 appdirs 1.4.4 APScheduler 3.10.4 argon2-cffi 23.1.0 argon2-cffi-bindings 21.2.0 arrow 1.3.0 ase 3.22.1 astor 0.8.1 astroid 3.0.0 asttokens 2.4.0 async-lru 2.0.4 async-timeout 4.0.2 attrs 23.1.0 autopep8 2.0.4 Babel 2.12.1 backcall 0.2.0 backports.functools-lru-cache 1.6.5 backports.zoneinfo 0.2.1 base58 2.1.1 beautifulsoup4 4.12.2 bleach 6.0.0 blinker 1.6.2 Brotli 1.1.0 cached-property 1.5.2 cachetools 5.3.1 cdvae 0.0.1 /home/abid/cdvae certifi 2023.7.22 cffi 1.15.1 cftime 1.6.2 charset-normalizer 2.0.12 citrination-client 6.5.1 click 8.1.6 colorama 0.4.6 comm 0.1.4 configparser 6.0.0 contourpy 1.1.0 cryptography 41.0.4 cycler 0.11.0 debugpy 1.8.0 decorator 5.1.1 defusedxml 0.7.1 dill 0.3.7 dnspython 2.4.1 docker-pycreds 0.4.0 dpcpp-cpp-rt 2023.2.0 dscribe 2.1.0 entrypoints 0.4 exceptiongroup 1.1.3 executing 1.2.0 fair-research-login 0.3.1 fastjsonschema 2.18.1 filelock 3.9.0 Flask 3.0.0 fonttools 4.41.1 fqdn 1.5.1 frozenlist 1.4.0 fsspec 2023.6.0 future 0.18.3 gitdb 4.0.10 GitPython 3.1.32 globus-nexus-client 0.4.1 globus-sdk 3.28.0 gmpy2 2.1.2 google-auth 2.22.0 google-auth-oauthlib 1.0.0 googledrivedownloader 0.4 grpcio 1.56.2 h11 0.14.0 h2 4.1.0 h5py 3.9.0 hpack 4.0.0 httpcore 0.18.0 httplib2 0.22.0 hydra-core 1.1.0 hydra-joblib-launcher 1.1.5 hyperframe 6.0.1 idna 3.4 imageio 2.31.1 importlib-metadata 6.8.0 importlib-resources 6.0.0 iniconfig 2.0.0 intel-cmplr-lib-rt 2023.2.0 intel-cmplr-lic-rt 2023.2.0 intel-opencl-rt 2023.2.0 intel-openmp 2023.2.0 ipykernel 6.25.2 ipython 8.12.2 ipywidgets 8.1.1 isodate 0.6.1 isoduration 20.11.0 isort 5.12.0 itsdangerous 2.1.2 jedi 0.19.1 Jinja2 3.1.2 jmespath 1.0.1 joblib 1.1.0 json5 0.9.14 jsonpointer 2.4 jsonschema 4.18.4 jsonschema-specifications 2023.7.1 jupyter_client 8.3.1 jupyter_core 5.3.2 jupyter-events 0.7.0 jupyter-lsp 2.2.0 jupyter_server 2.7.3 jupyter_server_terminals 0.4.4 jupyterlab 4.0.6 jupyterlab-pygments 0.2.2 jupyterlab_server 2.25.0 jupyterlab-widgets 3.0.9 kiwisolver 1.4.4 latexcodec 2.0.1 lazy_loader 0.3 lightning-utilities 0.9.0 llvmlite 0.40.1 loguru 0.7.2 Markdown 3.4.4 MarkupSafe 2.1.1 matminer 0.7.3 matplotlib 3.7.2 matplotlib-inline 0.1.6 mccabe 0.7.0 mdf-forge 0.8.0 mdf-toolbox 0.5.8 mistune 3.0.1 mkl 2023.2.0 mkl-fft 1.3.6 mkl-random 1.2.2 mkl-service 2.4.0 monty 2023.5.8 mpmath 1.2.1 multidict 6.0.4 multiprocess 0.70.15 munkres 1.1.4 nbclient 0.8.0 nbconvert 7.8.0 nbformat 5.9.2 nest-asyncio 1.5.6 netCDF4 1.6.4 networkx 2.8.4 nglview 3.0.8 notebook_shim 0.2.3 numba 0.57.1 numpy 1.21.5 oauthlib 3.2.2 omegaconf 2.1.2 overrides 7.4.0 p-tqdm 1.3.3 packaging 21.3 palettable 3.3.3 pandas 2.0.3 pandocfilters 1.5.0 parso 0.8.3 pathos 0.3.1 pathtools 0.1.2 patsy 0.5.3 pexpect 4.8.0 pickleshare 0.7.5 Pillow 10.0.0 Pint 0.21.1 pip 23.2.1 pkgutil_resolve_name 1.3.10 platformdirs 3.11.0 plotly 5.15.0 pluggy 1.3.0 ply 3.11 plyfile 1.0.1 pooch 1.7.0 pox 0.3.3 ppft 1.7.6.7 prometheus-client 0.17.1 promise 2.3 prompt-toolkit 3.0.39 protobuf 3.20.1 psutil 5.9.0 ptyprocess 0.7.0 pure-eval 0.2.2 pyarrow 13.0.0 pyasn1 0.5.0 pyasn1-modules 0.3.0 pybind11 2.11.1 pybind11-global 2.11.1 pybtex 0.24.0 pycodestyle 2.11.0 pycparser 2.21 pydeck 0.8.1b0 pyDeprecate 0.3.0 Pygments 2.16.1 PyJWT 2.8.0 pylint 3.0.0 pymatgen 2022.4.26 pymongo 4.4.1 pyOpenSSL 23.2.0 pyparsing 3.0.9 pypif 2.1.1 PyQt5 5.15.9 PyQt5-sip 12.12.2 PySocks 1.7.1 pytest 7.4.2 python-dateutil 2.8.2 python-dotenv 1.0.0 python-json-logger 2.0.7 python-louvain 0.16 pytorch-lightning 1.3.8 pytz 2023.3 pyu2f 0.1.5 PyWavelets 1.4.1 PyYAML 5.4.1 pyzmq 25.1.1 rdflib 6.3.2 referencing 0.30.0 requests 2.31.0 requests-mock 1.11.0 requests-oauthlib 1.3.1 rfc3339-validator 0.1.4 rfc3986-validator 0.1.1 rpds-py 0.9.2 rsa 4.9 ruamel.yaml 0.17.32 ruamel.yaml.clib 0.2.7 scikit-learn 1.1.0 scipy 1.7.3 seaborn 0.13.0 Send2Trash 1.8.2 sentry-sdk 1.28.1 setproctitle 1.3.2 setuptools 59.5.0 shortuuid 1.0.11 sip 6.7.11 six 1.16.0 SMACT 2.2.1 smmap 5.0.0 sniffio 1.3.0 soupsieve 2.5 sparse 0.14.0 spglib 2.0.2 stack-data 0.6.2 statsmodels 0.14.0 streamlit 0.79.0 subprocess32 3.5.4 sympy 1.11.1 tabulate 0.9.0 tbb 2021.10.0 tenacity 8.2.2 tensorboard 2.14.1 tensorboard-data-server 0.7.1 termcolor 2.3.0 terminado 0.17.1 threadpoolctl 3.1.0 tifffile 2023.7.10 tinycss2 1.2.1 toml 0.10.2 tomli 2.0.1 tomlkit 0.12.1 toolz 0.12.0 torch 1.9.0+cu111 torch-cluster 1.5.9 torch-geometric 1.7.2 torch-scatter 2.0.9 torch-sparse 0.6.12 torch-spline-conv 1.2.1 torchmetrics 0.7.0 tornado 6.3.3 tqdm 4.65.0 traitlets 5.11.2 types-python-dateutil 2.8.19.14 typing_extensions 4.7.1 typing-utils 0.1.0 tzdata 2023.3 tzlocal 5.0.1 ujson 5.8.0 uncertainties 3.1.7 unicodedata2 15.1.0 uri-template 1.3.0 urllib3 1.26.11 validators 0.22.0 vtk 9.2.6 wandb 0.10.33 watchdog 3.0.0 wcwidth 0.2.8 webcolors 1.13 webencodings 0.5.1 websocket-client 1.6.3 Werkzeug 2.3.6 wheel 0.38.4 widgetsnbextension 4.0.9 wslink 1.12.2 yacs 0.1.8 yarl 1.9.2 zipp 3.16.2
Remember use the normal environment file that takes long time but eventually it works. You will face problem with version of torch, torch_sparse, torch_scatter, torch_cluster and torch_spline_conv. Try to install these mentioning their cuda compatibility. Like in my case it was cuda 11.1. As I installed torch 1.9.0 with cuda 11.1.