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environment-gpu-cu111.yml
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name: roost
channels:
- pytorch
- pyg
- nvidia
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=4.5=1_gnu
- absl-py=0.13.0=py37h06a4308_0
- aiohttp=3.7.4=py37h27cfd23_1
- async-timeout=3.0.1=py37h06a4308_0
- attrs=21.2.0=pyhd3eb1b0_0
- blas=1.0=mkl
- blinker=1.4=py37h06a4308_0
- brotlipy=0.7.0=py37h5e8e339_1001
- c-ares=1.17.1=h27cfd23_0
- ca-certificates=2021.7.5=h06a4308_1
- cachetools=4.2.2=pyhd3eb1b0_0
- certifi=2021.5.30=py37h06a4308_0
- cffi=1.14.6=py37hc58025e_0
- chardet=3.0.4=py37h06a4308_1003
- charset-normalizer=2.0.0=pyhd8ed1ab_0
- click=8.0.1=pyhd3eb1b0_0
- colorama=0.4.4=pyh9f0ad1d_0
- coverage=5.5=py37h27cfd23_2
- cryptography=3.4.7=py37h5d9358c_0
- cudatoolkit=11.1.74=h6bb024c_0
- cython=0.29.24=py37h295c915_0
- decorator=4.4.2=py_0
- future=0.18.2=py37h89c1867_3
- google-auth=1.33.0=pyhd3eb1b0_0
- google-auth-oauthlib=0.4.1=py_2
- googledrivedownloader=0.4=pyhd3deb0d_1
- grpcio=1.36.1=py37h2157cd5_1
- idna=3.1=pyhd3deb0d_0
- importlib-metadata=4.6.4=py37h06a4308_0
- intel-openmp=2021.3.0=h06a4308_3350
- jinja2=3.0.1=pyhd8ed1ab_0
- joblib=1.0.1=pyhd8ed1ab_0
- ld_impl_linux-64=2.35.1=h7274673_9
- libblas=3.9.0=11_linux64_mkl
- libcblas=3.9.0=11_linux64_mkl
- libffi=3.3=he6710b0_2
- libgcc-ng=9.3.0=h5101ec6_17
- libgfortran-ng=11.1.0=h69a702a_8
- libgfortran5=11.1.0=h6c583b3_8
- libgomp=9.3.0=h5101ec6_17
- liblapack=3.9.0=11_linux64_mkl
- libprotobuf=3.17.2=h4ff587b_1
- libstdcxx-ng=9.3.0=hd4cf53a_17
- libuv=1.40.0=h7b6447c_0
- markdown=3.3.4=py37h06a4308_0
- markupsafe=2.0.1=py37h5e8e339_0
- mkl=2021.3.0=h06a4308_520
- multidict=5.1.0=py37h27cfd23_2
- ncurses=6.2=he6710b0_1
- networkx=2.5.1=pyhd8ed1ab_0
- ninja=1.10.2=h4bd325d_0
- numpy=1.20.3=py37h038b26d_1
- oauthlib=3.1.1=pyhd3eb1b0_0
- openssl=1.1.1l=h7f8727e_0
- pandas=1.3.0=py37h219a48f_0
- pip=21.0.1=py37h06a4308_0
- protobuf=3.17.2=py37h295c915_0
- pyasn1=0.4.8=pyhd3eb1b0_0
- pyasn1-modules=0.2.8=py_0
- pycparser=2.20=pyh9f0ad1d_2
- pyg=2.0.0=py37_torch_1.9.0_cu111
- pyjwt=2.1.0=py37h06a4308_0
- pyopenssl=20.0.1=pyhd8ed1ab_0
- pyparsing=2.4.7=pyh9f0ad1d_0
- pysocks=1.7.1=py37h89c1867_3
- python=3.7.10=h12debd9_4
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-louvain=0.15=pyhd3deb0d_0
- python_abi=3.7=2_cp37m
- pytorch=1.9.0=py3.7_cuda11.1_cudnn8.0.5_0
- pytorch-cluster=1.5.9=py37_torch_1.9.0_cu111
- pytorch-scatter=2.0.8=py37_torch_1.9.0_cu111
- pytorch-sparse=0.6.12=py37_torch_1.9.0_cu111
- pytorch-spline-conv=1.2.1=py37_torch_1.9.0_cu111
- pytz=2021.1=pyhd8ed1ab_0
- pyyaml=5.4.1=py37h5e8e339_0
- readline=8.1=h27cfd23_0
- requests=2.26.0=pyhd8ed1ab_0
- requests-oauthlib=1.3.0=py_0
- rsa=4.7.2=pyhd3eb1b0_1
- scikit-learn=0.24.2=py37h18a542f_0
- scipy=1.6.3=py37h29e03ee_0
- setuptools=52.0.0=py37h06a4308_0
- six=1.16.0=pyh6c4a22f_0
- sleef=3.5.1=h7f98852_1
- sqlite=3.36.0=hc218d9a_0
- tensorboard=2.5.0=py_0
- tensorboard-plugin-wit=1.6.0=py_0
- threadpoolctl=2.2.0=pyh8a188c0_0
- tk=8.6.10=hbc83047_0
- tqdm=4.62.2=pyhd8ed1ab_0
- typing-extensions=3.10.0.0=hd3eb1b0_0
- typing_extensions=3.10.0.0=pyh06a4308_0
- urllib3=1.26.6=pyhd8ed1ab_0
- werkzeug=1.0.1=pyhd3eb1b0_0
- wheel=0.37.0=pyhd3eb1b0_1
- xz=5.2.5=h7b6447c_0
- yacs=0.1.6=py_0
- yaml=0.2.5=h516909a_0
- yarl=1.6.3=py37h27cfd23_0
- zipp=3.5.0=pyhd3eb1b0_0
- zlib=1.2.11=h7b6447c_3
- pip:
- cycler==0.10.0
- kiwisolver==1.3.2
- matplotlib==3.4.3
- monty==2021.8.17
- mpmath==1.2.1
- palettable==3.3.0
- pillow==8.3.2
- plotly==5.3.1
- pymatgen==2022.0.14
- ruamel-yaml==0.17.16
- ruamel-yaml-clib==0.2.6
- spglib==1.16.2
- sympy==1.8
- tabulate==0.8.9
- tenacity==8.0.1
- uncertainties==3.1.6
prefix: /home/reag2/miniconda3/envs/roost