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txie-93 / cdvae

An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
MIT License
230 stars 91 forks source link

matminer>=0.7.3 instead of =0.7.3 #15

Open sgbaird opened 2 years ago

sgbaird commented 2 years ago

https://github.com/txie-93/cdvae/issues/2

sgbaird commented 2 years ago 
(base) PS C:\Users\sterg\Documents\GitHub\sgbaird-5DOF\cdvae> mamba env create -f env.yml
conda-forge/win-64                                          Using cache
conda-forge/noarch                                          Using cache
bioconda/win-64                                             Using cache
bioconda/noarch                                             Using cache
pkgs/main/win-64                                              No change
pkgs/r/win-64                                                 No change
pkgs/main/noarch                                              No change
pytorch/win-64                                                No change
pkgs/r/noarch                                                 No change
pytorch/noarch                                                No change
pyg/win-64                                                    No change
sgbaird/noarch                                                No change
plotly/win-64                                                 No change
plotly/noarch                                                 No change
pkgs/msys2/win-64                                             No change
pyg/noarch                                                    No change
pkgs/msys2/noarch                                             No change
numba/noarch                                       589.0 B @ 630.0 B/s  0.2s
sgbaird/win-64                                                No change
numba/win-64                                       148.9kB @ 107.1kB/s  1.1s

Looking for: ['ase=3.22', 'autopep8', 'cudatoolkit=10.2', 'jupyterlab', "matminer[version='>=0.7.3']", 'matplotl]

warning  libmamba Extracted package cache 'C:\Users\sterg\miniconda3\pkgs\winpty-0.4.3-4' has invalid size
warning  libmamba Extracted package cache 'C:\Users\sterg\miniconda3\pkgs\winpty-0.4.3-4' has invalid SHA-256 chm
Transaction

  Prefix: C:\Users\sterg\miniconda3\envs\cdvae

  Updating specs:

   - ase=3.22
   - autopep8
   - cudatoolkit=10.2
   - jupyterlab
   - matminer[version='>=0.7.3']
   - matplotlib
   - nglview
   - pip
   - pyg=2.0.1
   - ipywidgets
   - pylint
   - pymatgen=2020.12.31
   - python=3.8
   - pytorch-lightning=1.3.8
   - pytorch=1.8.1
   - seaborn
   - tqdm

  Package                                     Version  Build                    Channel                  Size
---------------------------------------------------------------------------------------------------------------  
  Install:
---------------------------------------------------------------------------------------------------------------  

  + absl-py                                     1.1.0  pyhd8ed1ab_0             conda-forge/noarch       96kB    
  + aiohttp                                     3.8.1  py38h294d835_1           conda-forge/win-64      560kB    
  + aiosignal                                   1.2.0  pyhd8ed1ab_0             conda-forge/noarch       13kB    
  + anyio                                       3.6.1  py38haa244fe_0           conda-forge/win-64      158kB    
  + apscheduler                                 3.9.1  py38haa244fe_0           conda-forge/win-64       85kB
  + argon2-cffi                                21.3.0  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + argon2-cffi-bindings                       21.2.0  py38h294d835_2           conda-forge/win-64       35kB    
  + ase                                        3.22.1  pyhd8ed1ab_1             conda-forge/noarch     Cached    
  + astroid                                    2.11.5  py38haa244fe_0           conda-forge/win-64      369kB    
  + asttokens                                   2.0.5  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + async-timeout                               4.0.2  pyhd8ed1ab_0             conda-forge/noarch        9kB    
  + attrs                                      21.4.0  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + autopep8                                    1.6.0  pyhd8ed1ab_1             conda-forge/noarch       42kB    
  + babel                                      2.10.1  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + backcall                                    0.2.0  pyh9f0ad1d_0             conda-forge/noarch     Cached
  + backports                                     1.0  py_2                     conda-forge/noarch     Cached    
  + backports.functools_lru_cache               1.6.4  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + beautifulsoup4                             4.11.1  pyha770c72_0             conda-forge/noarch       98kB    
  + blas                                        2.115  mkl                      conda-forge/win-64       14kB    
  + blas-devel                                  3.9.0  15_win64_mkl             conda-forge/win-64       13kB    
  + bleach                                      5.0.0  pyhd8ed1ab_0             conda-forge/noarch      126kB    
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  + brotli                                      1.0.9  h8ffe710_7               conda-forge/win-64     Cached    
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  + brotlipy                                    0.7.0  py38h294d835_1004        conda-forge/win-64      337kB
  + bzip2                                       1.0.8  h8ffe710_4               conda-forge/win-64     Cached    
  + ca-certificates                       2022.5.18.1  h5b45459_0               conda-forge/win-64     Cached    
  + cachetools                                  5.0.0  pyhd8ed1ab_0             conda-forge/noarch       12kB    
  + certifi                               2022.5.18.1  py38haa244fe_0           conda-forge/win-64     Cached    
  + cffi                                       1.15.0  py38hd8c33c5_0           conda-forge/win-64     Cached    
  + cftime                                      1.6.0  py38hbdcd294_1           conda-forge/win-64      165kB    
  + charset-normalizer                         2.0.12  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + click                                       8.1.3  py38haa244fe_0           conda-forge/win-64      150kB    
  + colorama                                    0.4.4  pyh9f0ad1d_0             conda-forge/noarch     Cached
  + cryptography                               37.0.2  py38hb7941b4_0           conda-forge/win-64        1MB    
  + cudatoolkit                               10.2.89  hb195166_10              conda-forge/win-64     Cached    
  + curl                                       7.83.1  h789b8ee_0               conda-forge/win-64     Cached    
  + cycler                                     0.11.0  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + debugpy                                     1.6.0  py38h885f38d_0           conda-forge/win-64        3MB    
  + decorator                                   5.1.1  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + defusedxml                                  0.7.1  pyhd8ed1ab_0             conda-forge/noarch     Cached
  + dill                                      0.3.5.1  pyhd8ed1ab_0             conda-forge/noarch       73kB    
  + double-conversion                           3.2.0  h0e60522_0               conda-forge/win-64     Cached    
  + eigen                                       3.4.0  h2d74725_0               conda-forge/win-64     Cached    
  + entrypoints                                   0.4  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + executing                                   0.8.3  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + expat                                       2.4.8  h39d44d4_0               conda-forge/win-64     Cached    
  + ffmpeg                                      4.3.1  ha925a31_0               conda-forge/win-64     Cached    
  + flask                                       2.1.2  pyhd8ed1ab_1             conda-forge/noarch     Cached    
  + flit-core                                   3.7.1  pyhd8ed1ab_0             conda-forge/noarch       45kB    
  + fonttools                                  4.33.3  py38h294d835_0           conda-forge/win-64        2MB    
  + freetype                                   2.10.4  h546665d_1               conda-forge/win-64     Cached
  + frozenlist                                  1.3.0  py38h294d835_1           conda-forge/win-64       41kB    
  + fsspec                                   2022.5.0  pyhd8ed1ab_0             conda-forge/noarch       98kB    
  + future                                     0.18.2  py38haa244fe_5           conda-forge/win-64      757kB    
  + gettext                                  0.19.8.1  ha2e2712_1008            conda-forge/win-64     Cached    
  + gl2ps                                       1.4.2  h0597ee9_0               conda-forge/win-64     Cached    
  + glew                                        2.1.0  h39d44d4_2               conda-forge/win-64     Cached    
  + google-auth                                 2.7.0  pyh6c4a22f_1             conda-forge/noarch       89kB    
  + google-auth-oauthlib                        0.4.6  pyhd8ed1ab_0             conda-forge/noarch       19kB    
  + googledrivedownloader                         0.4  pyhd3deb0d_1             conda-forge/noarch        7kB    
  + grpcio                                     1.46.3  py38he5377a8_0           conda-forge/win-64        2MB
  + gst-plugins-base                           1.20.2  he07aa86_1               conda-forge/win-64        2MB    
  + gstreamer                                  1.20.2  hdff456e_1               conda-forge/win-64        2MB    
  + hdf4                                       4.2.15  h0e5069d_3               conda-forge/win-64     Cached    
  + hdf5                                       1.12.1  nompi_h2a0e4a3_104       conda-forge/win-64     Cached    
  + icu                                          70.1  h0e60522_0               conda-forge/win-64     Cached    
  + idna                                          3.3  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + importlib-metadata                         4.11.4  py38haa244fe_0           conda-forge/win-64       34kB    
  + importlib_metadata                         4.11.4  hd8ed1ab_0               conda-forge/noarch        4kB    
  + importlib_resources                         5.7.1  pyhd8ed1ab_1             conda-forge/noarch       22kB    
  + intel-openmp                             2022.1.0  h57928b3_3787            conda-forge/win-64     Cached
  + ipykernel                                  6.13.1  py38h4317176_0           conda-forge/win-64      191kB    
  + ipython                                     8.4.0  py38haa244fe_0           conda-forge/win-64        1MB    
  + ipython_genutils                            0.2.0  py_1                     conda-forge/noarch     Cached    
  + ipywidgets                                  7.7.0  pyhd8ed1ab_0             conda-forge/noarch      106kB    
  + isort                                      5.10.1  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + itsdangerous                                2.1.2  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + jedi                                       0.18.1  py38haa244fe_1           conda-forge/win-64        1MB    
  + jinja2                                      3.1.2  pyhd8ed1ab_1             conda-forge/noarch      101kB    
  + joblib                                      1.1.0  pyhd8ed1ab_0             conda-forge/noarch     Cached    
  + jpeg                                           9e  h8ffe710_1               conda-forge/win-64     Cached
  + json5                                       0.9.5  pyh9f0ad1d_0             conda-forge/noarch     Cached    
  + jsoncpp                                     1.9.5  h2d74725_1               conda-forge/win-64     Cached    
  + jsonschema                                  4.6.0  pyhd8ed1ab_0             conda-forge/noarch       64kB    
  + jupyter_client                              7.3.4  pyhd8ed1ab_0             conda-forge/noarch       93kB    
  + jupyter_core                               4.10.0  py38haa244fe_0           conda-forge/win-64      108kB    
  + jupyter_server                             1.17.1  pyhd8ed1ab_0             conda-forge/noarch      242kB    
  + jupyterlab                                  3.4.3  pyhd8ed1ab_0             conda-forge/noarch        6MB    
  + jupyterlab_pygments                         0.2.2  pyhd8ed1ab_0             conda-forge/noarch       17kB    
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  + krb5                                       1.19.3  h1176d77_0               conda-forge/win-64     Cached    
  + latexcodec                                  2.0.1  pyh9f0ad1d_0             conda-forge/noarch     Cached    
  + lazy-object-proxy                           1.7.1  py38h294d835_1           conda-forge/win-64       34kB    
  + lerc                                          3.0  h0e60522_0               conda-forge/win-64     Cached    
  + libblas                                     3.9.0  15_win64_mkl             conda-forge/win-64        6MB
  + libbrotlicommon                             1.0.9  h8ffe710_7               conda-forge/win-64     Cached    
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  + libbrotlienc                                1.0.9  h8ffe710_7               conda-forge/win-64     Cached    
  + libcblas                                    3.9.0  15_win64_mkl             conda-forge/win-64        6MB    
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  + libdeflate                                   1.10  h8ffe710_0               conda-forge/win-64     Cached
  + libffi                                      3.4.2  h8ffe710_5               conda-forge/win-64     Cached    
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  + libiconv                                     1.16  he774522_0               conda-forge/win-64     Cached    
  + liblapack                                   3.9.0  15_win64_mkl             conda-forge/win-64        6MB    
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  + libogg                                      1.3.4  h8ffe710_1               conda-forge/win-64     Cached    
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  + libsodium                                  1.0.18  h8d14728_1               conda-forge/win-64     Cached    
  + libssh2                                    1.10.0  h680486a_2               conda-forge/win-64     Cached    
  + libtheora                                   1.1.1  h8d14728_1005            conda-forge/win-64     Cached    
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  + libwebp                                     1.2.2  h57928b3_0               conda-forge/win-64     Cached    
  + libwebp-base                                1.2.2  h8ffe710_1               conda-forge/win-64     Cached
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  + libzip                                      1.8.0  hfed4ece_1               conda-forge/win-64     Cached    
  + libzlib                                    1.2.12  h8ffe710_0               conda-forge/win-64     Cached    
  + loguru                                      0.6.0  py38haa244fe_1           conda-forge/win-64       89kB    
  + lz4-c                                       1.9.3  h8ffe710_1               conda-forge/win-64     Cached    
  + m2w64-gcc-libgfortran                       5.3.0  6                        conda-forge/win-64     Cached    
  + m2w64-gcc-libs                              5.3.0  7                        conda-forge/win-64     Cached    
  + m2w64-gcc-libs-core                         5.3.0  7                        conda-forge/win-64     Cached    
  + m2w64-gmp                                   6.1.0  2                        conda-forge/win-64     Cached
  + m2w64-libwinpthread-git        5.0.0.4634.697f757  2                        conda-forge/win-64     Cached    
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  + markupsafe                                  2.1.1  py38h294d835_1           conda-forge/win-64       26kB    
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  + matplotlib-base                             3.5.2  py38he529843_0           conda-forge/win-64        8MB    
  + matplotlib-inline                           0.1.3  pyhd8ed1ab_0             conda-forge/noarch     Cached    
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  + mistune                                     0.8.4  py38h294d835_1005        conda-forge/win-64     Cached    
  + mkl                                      2022.1.0  h6a75c08_874             conda-forge/win-64      192MB    
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  + msys2-conda-epoch                        20160418  1                        conda-forge/win-64     Cached    
  + multidict                                   6.0.2  py38h294d835_1           conda-forge/win-64       48kB    
  + munkres                                     1.1.4  pyh9f0ad1d_0             conda-forge/noarch     Cached    
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  + python_abi                                    3.8  2_cp38                   conda-forge/win-64     Cached    
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  + xz                                          5.2.5  h62dcd97_1               conda-forge/win-64     Cached    
  + yacs                                        0.1.8  pyhd8ed1ab_0             conda-forge/noarch       18kB    
  + yaml                                        0.2.5  h8ffe710_2               conda-forge/win-64     Cached    
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  Summary:

  Install: 290 packages

  Total download: 1GB

---------------------------------------------------------------------------------------------------------------  

libvorbis                                          273.7kB @ 478.9kB/s  0.6s
ninja                                              307.7kB @ 318.3kB/s  1.0s
mkl-include                                        778.6kB @ 449.4kB/s  1.7s
libtiff                                              1.1MB @ 656.7kB/s  1.2s
liblapack                                            5.9MB @ 913.9kB/s  5.5s
blinker                                             13.0kB @   2.0kB/s  0.1s
python-fastjsonschema                              248.8kB @  36.0kB/s  0.4s
flit-core                                           45.2kB @   6.4kB/s  0.2s
websocket-client                                    42.2kB @   5.8kB/s  0.2s
jupyterlab_widgets                                 136.4kB @  18.0kB/s  0.3s
fsspec                                              97.9kB @  12.5kB/s  0.2s
pandoc                                              18.9MB @   2.4MB/s  7.8s
pyasn1-modules                                      61.3kB @   7.6kB/s  0.2s
tzlocal                                             18.0kB @   2.2kB/s  0.2s
pyu2f                                               31.9kB @   3.7kB/s  0.5s
multidict                                           48.4kB @   5.4kB/s  0.3s
ruamel.yaml.clib                                   114.7kB @  12.2kB/s  0.4s
wrapt                                               50.0kB @   5.2kB/s  0.3s
psutil                                             371.9kB @  35.0kB/s  1.0s
plotly                                               7.3MB @ 682.6kB/s  2.8s
pyzmq                                              453.5kB @  41.3kB/s  0.3s
pywinpty                                           229.5kB @  20.5kB/s  0.6s
future                                             757.2kB @  66.4kB/s  0.4s
protobuf                                           242.3kB @  20.8kB/s  0.2s
click                                              149.7kB @  12.6kB/s  0.2s
liblapacke                                           5.9MB @ 495.1kB/s 10.2s
yarl                                               130.6kB @  10.8kB/s  0.2s
anyio                                              158.3kB @  13.0kB/s  0.3s
jupyter_core                                       107.9kB @   8.8kB/s  0.2s
jedi                                                 1.0MB @  80.8kB/s  1.3s
cftime                                             165.5kB @  13.0kB/s  0.6s
cryptography                                         1.1MB @  84.3kB/s  0.9s
jinja2                                             101.4kB @   7.6kB/s  0.2s
markdown                                            69.0kB @   5.1kB/s  0.2s
ipython                                              1.2MB @  84.2kB/s  1.4s
pylint                                             316.8kB @  22.6kB/s  0.4s
nbformat                                           106.3kB @   7.5kB/s  0.2s
nbconvert-pandoc                                     4.6kB @ 313.0 B/s  0.4s
nbconvert-core                                     434.9kB @  29.7kB/s  0.6s
notebook-shim                                       15.0kB @   1.0kB/s  0.1s
scikit-learn                                         7.8MB @ 407.2kB/s  6.5s
pyg                                                620.1kB @  29.2kB/s  2.0s
matplotlib-base                                      7.7MB @ 344.4kB/s  7.5s
widgetsnbextension                                   1.3MB @  53.6kB/s  1.7s
tensorboard                                          5.5MB @ 219.0kB/s  3.8s
mkl-devel                                            7.5MB @ 247.6kB/s  5.1s
nglview                                              6.6MB @ 217.6kB/s  6.4s
setuptools                                           1.4MB @  44.7kB/s  1.1s
blas                                                14.0kB @ 442.0 B/s  0.2s
cachetools                                          12.5kB @ 393.0 B/s  0.2s
nest-asyncio                                         9.5kB @ 296.0 B/s  0.2s
libprotobuf                                          2.5MB @  79.3kB/s  2.0s
pint                                               192.4kB @   6.0kB/s  0.3s
tinycss2                                            23.1kB @ 713.0 B/s  0.1s
autopep8                                            42.3kB @   1.3kB/s  0.1s
bleach                                             126.0kB @   3.9kB/s  0.1s
tensorboard-data-server                             12.8kB @ 390.0 B/s  0.1s
unicodedata2                                       504.4kB @  15.0kB/s  0.9s
markupsafe                                          25.6kB @ 757.0 B/s  0.2s
networkx                                             1.6MB @  48.3kB/s  1.8s
pymongo                                              1.4MB @  40.2kB/s  1.8s
loguru                                              89.0kB @   2.5kB/s  0.3s
pysocks                                             28.9kB @ 801.0 B/s  0.2s
fonttools                                            1.6MB @  43.0kB/s  2.2s
qt-main                                             73.3MB @   1.6MB/s 42.8s
argon2-cffi-bindings                                35.3kB @ 790.0 B/s  0.2s
sympy                                               12.3MB @ 267.6kB/s 12.1s
python-louvain                                      12.9kB @ 280.0 B/s  0.2s
jupyter_client                                      92.9kB @   2.0kB/s  0.2s
requests                                            53.7kB @   1.2kB/s  0.2s
jupyter_server                                     241.8kB @   5.2kB/s  0.4s
aiohttp                                            559.6kB @  11.7kB/s  0.7s
matplotlib                                           7.0kB @ 146.0 B/s  0.2s
pyqt                                                 4.9MB @ 100.7kB/s  4.2s
nbclassic                                           14.7kB @ 299.0 B/s  0.2s
pytorch-cluster                                    996.0kB @  19.5kB/s  3.3s
pymatgen                                             3.6MB @  69.3kB/s  3.5s
libcblas                                             5.9MB @  99.1kB/s  6.8s
blas-devel                                          13.4kB @ 225.0 B/s  0.1s
tensorboard-plugin-wit                             684.5kB @  11.3kB/s  0.9s
prometheus_client                                   50.2kB @ 826.0 B/s  0.2s
pydeprecate                                         13.3kB @ 217.0 B/s  0.3s
jupyterlab_pygments                                 17.4kB @ 284.0 B/s  0.2s
frozenlist                                          40.8kB @ 664.0 B/s  0.2s
lazy-object-proxy                                   33.6kB @ 546.0 B/s  0.2s
pyrsistent                                          87.0kB @   1.4kB/s  0.3s
scipy                                               28.7MB @ 430.8kB/s 28.3s
apscheduler                                         84.6kB @   1.3kB/s  0.5s
astroid                                            368.6kB @   5.5kB/s  0.6s
libclang13                                          25.7MB @ 371.2kB/s 18.2s
pyqt5-sip                                           73.9kB @   1.1kB/s  0.2s
importlib_metadata                                   3.9kB @  56.0 B/s  0.1s
nbclient                                            66.3kB @ 948.0 B/s  0.2s
nbconvert                                            6.0kB @  85.0 B/s  0.1s
numpy                                                6.4MB @  90.5kB/s  9.1s
pandas                                              11.5MB @ 148.1kB/s 10.4s
statsmodels                                         10.8MB @ 137.9kB/s  8.5s
pytorch-lightning                                  271.7kB @   3.5kB/s  0.6s
gstreamer                                            2.2MB @  27.6kB/s  2.0s
pyjwt                                               19.3kB @ 238.0 B/s  0.1s
mccabe                                              10.9kB @ 134.0 B/s  0.3s
tomlkit                                             31.9kB @ 393.0 B/s  0.1s
win_inet_pton                                        9.0kB @ 111.0 B/s  0.1s
pytorch-sparse                                       2.7MB @  32.7kB/s 10.3s
kiwisolver                                          62.1kB @ 762.0 B/s  0.2s
ruamel.yaml                                        172.5kB @   2.1kB/s  0.4s
importlib-metadata                                  34.2kB @ 417.0 B/s  0.6s
jsonschema                                          63.9kB @ 770.0 B/s  1.0s
googledrivedownloader                                7.0kB @  84.0 B/s  0.2s
pytorch-spline-conv                                534.9kB @   6.3kB/s  2.1s
python                                              17.7MB @ 195.3kB/s 12.2s
libclang                                           146.8kB @   1.6kB/s  0.2s
absl-py                                             96.0kB @   1.1kB/s  0.2s
beautifulsoup4                                      98.3kB @   1.1kB/s  0.2s
sniffio                                             16.2kB @ 177.0 B/s  0.1s
pyyaml                                             167.2kB @   1.8kB/s  0.2s
terminado                                           28.8kB @ 313.0 B/s  0.1s
aiosignal                                           12.6kB @ 136.0 B/s  0.1s
requests-oauthlib                                   22.2kB @ 240.0 B/s  0.1s
jupyterlab                                           6.2MB @  66.3kB/s  8.4s
ipywidgets                                         105.7kB @   1.1kB/s  0.2s
pip                                                  1.6MB @  16.7kB/s  2.0s
importlib_resources                                 22.5kB @ 234.0 B/s  0.1s
tornado                                            665.6kB @   6.9kB/s  0.9s
spglib                                             484.8kB @   5.0kB/s  1.0s
oauthlib                                            91.9kB @ 937.0 B/s  0.3s
torchmetrics                                       200.1kB @   2.0kB/s  0.4s
google-auth-oauthlib                                19.3kB @ 195.0 B/s  0.2s
gst-plugins-base                                     2.4MB @  23.9kB/s  3.2s
async-timeout                                        9.3kB @  91.0 B/s  0.1s
sip                                                440.0kB @   4.3kB/s  0.7s
jupyterlab_server                                   49.8kB @ 484.0 B/s  0.2s
pytorch-scatter                                      4.7MB @  44.8kB/s 12.5s
traitlets                                           86.6kB @ 820.0 B/s  1.0s
brotlipy                                           336.6kB @   3.2kB/s  0.7s
google-auth                                         88.7kB @ 832.0 B/s  0.3s
dill                                                73.0kB @ 683.0 B/s  0.2s
yacs                                                17.7kB @ 165.0 B/s  0.2s
vtk                                                 35.4MB @ 324.2kB/s 27.5s
ipykernel                                          190.5kB @   1.7kB/s  0.3s
notebook                                             6.6MB @  60.1kB/s  7.3s
matminer                                             1.1MB @   9.8kB/s  1.1s
grpcio                                               2.1MB @  19.1kB/s  1.7s
debugpy                                              3.3MB @  29.0kB/s  2.2s
libblas                                              5.9MB @  51.3kB/s  7.9s
mkl                                                191.6MB @   1.7MB/s 1m:55.4s
pytorch                                            901.6MB @   2.5MB/s 5m:52.0s
Preparing transaction: done
Verifying transaction: done
Executing transaction: - "By downloading and using the CUDA Toolkit conda packages, you accept the terms and con 

- Enabling notebook extension jupyter-js-widgets/extension...
      - Validating: ok

done
Installing pip dependencies: | Ran pip subprocess with arguments:
['C:\\Users\\sterg\\miniconda3\\envs\\cdvae\\python.exe', '-m', 'pip', 'install', '-U', '-r', 'C:\\Users\\sterg\]
Pip subprocess output:
Collecting hydra-core==1.1.0
  Downloading hydra_core-1.1.0-py3-none-any.whl (144 kB)
     -------------------------------------- 144.6/144.6 kB 1.7 MB/s eta 0:00:00
Collecting hydra-joblib-launcher==1.1.5
  Downloading hydra_joblib_launcher-1.1.5-py3-none-any.whl (5.2 kB)
Collecting p-tqdm==1.3.3
  Downloading p_tqdm-1.3.3.tar.gz (4.3 kB)
  Preparing metadata (setup.py): started
  Preparing metadata (setup.py): finished with status 'done'
Collecting pytest
  Using cached pytest-7.1.2-py3-none-any.whl (297 kB)
Collecting python-dotenv
  Downloading python_dotenv-0.20.0-py3-none-any.whl (17 kB)
Collecting smact==2.2.1
  Downloading SMACT-2.2.1-py3-none-any.whl (113 kB)
     -------------------------------------- 113.2/113.2 kB 6.4 MB/s eta 0:00:00
Collecting streamlit==0.79.0
  Downloading streamlit-0.79.0-py2.py3-none-any.whl (7.0 MB)
     ---------------------------------------- 7.0/7.0 MB 5.6 MB/s eta 0:00:00
Collecting wandb==0.10.33
  Downloading wandb-0.10.33-py2.py3-none-any.whl (1.8 MB)
     ---------------------------------------- 1.8/1.8 MB 5.8 MB/s eta 0:00:00
Collecting antlr4-python3-runtime==4.8
  Downloading antlr4-python3-runtime-4.8.tar.gz (112 kB)
     -------------------------------------- 112.4/112.4 kB 3.3 MB/s eta 0:00:00
  Preparing metadata (setup.py): started
  Preparing metadata (setup.py): finished with status 'done'
Collecting omegaconf==2.1.*
  Downloading omegaconf-2.1.2-py3-none-any.whl (74 kB)
     ---------------------------------------- 74.7/74.7 kB 4.0 MB/s eta 0:00:00
Requirement already satisfied: importlib-resources in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (fr)
Requirement already satisfied: joblib>=0.14.0 in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from hy)
Requirement already satisfied: tqdm in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from p-tqdm==1.3.)
Collecting pathos
  Downloading pathos-0.2.9-py3-none-any.whl (76 kB)
     ---------------------------------------- 76.9/76.9 kB 4.2 MB/s eta 0:00:00
Requirement already satisfied: six in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from p-tqdm==1.3.3)
Requirement already satisfied: pandas in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from smact==2.2)
Requirement already satisfied: spglib in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from smact==2.2)
Requirement already satisfied: scipy in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from smact==2.2.)
Requirement already satisfied: numpy in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from smact==2.2.)
Requirement already satisfied: pymatgen in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from smact==2)
Requirement already satisfied: ase in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from smact==2.2.1-)
Requirement already satisfied: tornado>=5.0 in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from stre)
Requirement already satisfied: python-dateutil in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from s)
Collecting pydeck>=0.1.dev5
  Downloading pydeck-0.7.1-py2.py3-none-any.whl (4.3 MB)
     ---------------------------------------- 4.3/4.3 MB 6.1 MB/s eta 0:00:00
Collecting gitpython
  Downloading GitPython-3.1.27-py3-none-any.whl (181 kB)
     -------------------------------------- 181.2/181.2 kB 5.3 MB/s eta 0:00:00
Requirement already satisfied: tzlocal in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from streamlit)
Requirement already satisfied: pillow>=6.2.0 in c:\users\sterg\miniconda3\envs\cdvae\lib\site-packages (from str)
Collecting base58
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done
#
# To activate this environment, use
#
#     $ conda activate cdvae
#
# To deactivate an active environment, use
#
#     $ conda deactivate
sgbaird commented 2 years ago

Hmm...

(cdvae) PS C:\Users\sterg\Documents\GitHub\sgbaird-5DOF\cdvae> python cdvae/run.py data=perov expname=perov                                     Traceback (most recent call last):                                        File "cdvae/run.py", line 8, in <module>                                  import pytorch_lightning as pl
  File "C:\Users\sterg\Miniconda3\envs\cdvae\lib\site-packages\pytorch_lightning\__init__.py", line 20, in <module>
    from pytorch_lightning import metrics  # noqa: E402
  File "C:\Users\sterg\Miniconda3\envs\cdvae\lib\site-packages\pytorch_lightning\metrics\__init__.py", line 15, in <module>
    from pytorch_lightning.metrics.classification import (  # noqa: F401
  File "C:\Users\sterg\Miniconda3\envs\cdvae\lib\site-packages\pytorch_lightning\metrics\classification\__init__.py", line 14, in <module>
    from pytorch_lightning.metrics.classification.accuracy import Accuracy  # noqa: F401
  File "C:\Users\sterg\Miniconda3\envs\cdvae\lib\site-packages\pytorch_lightning\metrics\classification\accuracy.py", line 18, in <module>
    from pytorch_lightning.metrics.utils import deprecated_metrics
  File "C:\Users\sterg\Miniconda3\envs\cdvae\lib\site-packages\pytorch_lightning\metrics\utils.py", line 22, in <module>
    from torchmetrics.utilities.data import get_num_classes as _get_num_classes
ImportError: cannot import name 'get_num_classes' from 'torchmetrics.utilities.data' (C:\Users\sterg\Miniconda3\envs\cdvae\lib\site-packages\torchmetrics\utilities\data.py)
txie-93 commented 2 years ago

Thanks for your contribution. I think to solve this problem, you need to use an older version of torchmetrics. Try:

conda install torchmetrics=0.7.3
sgbaird commented 2 years ago

@txie-93 Did you see the post in https://github.com/txie-93/cdvae/issues/2#issuecomment-1153000418?

sgbaird commented 2 years ago

@txie-93 @kyonofx

This Colab notebook shows that:

    The user requested pymatgen==2020.12.31
    matminer 0.7.3 depends on pymatgen>=2022.0.8
...
ERROR: ResolutionImpossible

hence my suggestion about matminer>=0.7.3 (pymatgen>=2022.0.8 might be a suitable alternative).

After loosening to matminer>=0.7.3 (also demonstrated above), the following Colab notebooks reproduce the error with get_num_classes (without pinning torchmetrics==0.7.3).

After pinning torchmetrics==0.7.3 with matminer>=0.7.3, cdvae-debug-strictest-torchmetrics==0.7.3.ipynb shows a new error:

/usr/local/lib/python3.7/dist-packages/torchvision/io/image.py:13: UserWarning: Failed to load image Python extension: libtorch_cuda_cu.so: cannot open shared object file: No such file or directory
  warn(f"Failed to load image Python extension: {e}")
Traceback (most recent call last):
  File "cdvae/run.py", line 8, in <module>
    import pytorch_lightning as pl
  File "/usr/local/lib/python3.7/dist-packages/pytorch_lightning/__init__.py", line 20, in <module>
    from pytorch_lightning import metrics  # noqa: E402
  File "/usr/local/lib/python3.7/dist-packages/pytorch_lightning/metrics/__init__.py", line 15, in <module>
    from pytorch_lightning.metrics.classification import (  # noqa: F401
  File "/usr/local/lib/python3.7/dist-packages/pytorch_lightning/metrics/classification/__init__.py", line 14, in <module>
    from pytorch_lightning.metrics.classification.accuracy import Accuracy  # noqa: F401
  File "/usr/local/lib/python3.7/dist-packages/pytorch_lightning/metrics/classification/accuracy.py", line 18, in <module>
    from pytorch_lightning.metrics.utils import deprecated_metrics
  File "/usr/local/lib/python3.7/dist-packages/pytorch_lightning/metrics/utils.py", line 29, in <module>
    from pytorch_lightning.utilities import rank_zero_deprecation
  File "/usr/local/lib/python3.7/dist-packages/pytorch_lightning/utilities/__init__.py", line 18, in <module>
    from pytorch_lightning.utilities.apply_func import move_data_to_device  # noqa: F401
  File "/usr/local/lib/python3.7/dist-packages/pytorch_lightning/utilities/apply_func.py", line 29, in <module>
    if _compare_version("torchtext", operator.ge, "0.9.0"):
  File "/usr/local/lib/python3.7/dist-packages/pytorch_lightning/utilities/imports.py", line 53, in _compare_version
    pkg = importlib.import_module(package)
  File "/usr/lib/python3.7/importlib/__init__.py", line 127, in import_module
    return _bootstrap._gcd_import(name[level:], package, level)
  File "/usr/local/lib/python3.7/dist-packages/torchtext/__init__.py", line 7, in <module>
    from . import datasets
  File "/usr/local/lib/python3.7/dist-packages/torchtext/datasets/__init__.py", line 3, in <module>
    from .ag_news import AG_NEWS
  File "/usr/local/lib/python3.7/dist-packages/torchtext/datasets/ag_news.py", line 5, in <module>
    from torchtext.data.datasets_utils import (
  File "/usr/local/lib/python3.7/dist-packages/torchtext/data/datasets_utils.py", line 11, in <module>
    from torch.utils.data import functional_datapipe, IterDataPipe
ImportError: cannot import name 'functional_datapipe' from 'torch.utils.data' (/usr/local/lib/python3.7/dist-packages/torch/utils/data/__init__.py)

Related: Cannot import name 'functional_datapipe' from 'torch.utils.data'

Maybe after trying this again locally but with torchmetrics==0.7.3 and python==3.8.*, I might have some better luck. However, I've been chasing down error-after-error over the course of hours and days (coming up on weeks). It would be great if you could verify from a fresh installation that you're able to run to completion the instructions in the README. Ideally, this would be using a separate user account on your machine (in my case I just appended -alt to my usual username) or someone else's "fresh" machine. That would definitely give me some light at the end of the tunnel ⛰️🚋⛰️🌞

sasanamari commented 1 year ago

@sgbaird Thanks for documenting your struggle! :D I've also been wrestling with setting this repo up and fixing error after error for a few days... It's a shame since this library seems promising. Did you eventually manage to get it up and running?

sgbaird commented 1 year ago

Unfortunately, no. The only thing I don't think I've tried yet is running it on a purely Linux system (i.e., not just WSL2).

sasanamari commented 1 year ago

Thanks! I've been trying to run it on a remote Linux machine through ssh and vscode; still no luck.

sgbaird commented 1 year ago

Good info. Thanks!

Saurav-Abid-Rahman commented 1 year ago

I have been trying for couple of weeks and still no luck