# Getting started on Colab

Google Colab comes pre-configured with a python environment capable of machine learning

```python
import numpy as np

rand_arr = np.random.rand(1000000)
rand_arr = rand_arr.reshape(1000, 1000)
np.mean(rand_arr)
```

    0.49978312636745387

```python
import tensorflow as tf
print(tf.reduce_mean(tf.random.uniform([1000, 1000])))
```

    tf.Tensor(0.5002437, shape=(), dtype=float32)

## Navigating the notebook

Use `Enter` to select and interact with a cell

Use `Esc` to deselect a cell

```python
#Try to type something into this box:
```

Run a cell using `Shift+Enter`

## Use the `!` command to execute shell commands

```python
!python --version
```

    Python 3.7.11

```python
!pwd
```

    /content

```python
!ls /content/sample_data/
```

    anscombe.json		      mnist_test.csv
    california_housing_test.csv   mnist_train_small.csv
    california_housing_train.csv  README.md

## Use `%%bash` to set entire cell to execute as shell commands

```bash
%%bash

pwd
which python3
```

    /content
    /usr/bin/python3

# Opening notebooks

# Finding and Installing Packages

```python

```

# Install Conda using conda-colab
This will allow you to use conda to install packages

Check location of conda binary. This should return none, since there is no conda installation

```python
!which conda
```

```python
%%timeit -n 1 -r 1
!pip install -q condacolab
```

```python
%%timeit -n 1 -r 1
import condacolab
condacolab.install_miniconda()
```

    ⏬ Downloading https://repo.anaconda.com/miniconda/Miniconda3-py37_4.9.2-Linux-x86_64.sh...
    📦 Installing...
    📌 Adjusting configuration...
    🩹 Patching environment...
    ⏲ Done in 0:00:32
    🔁 Restarting kernel...
    1 loop, best of 1: 31.5 s per loop

Now that miniconda has been installed, we should be able to locate a conda installation

```python
!which conda
```

    /usr/local/bin/conda

```python
%%timeit -n 1 -r 1
import numpy as np

rand_arr = np.random.rand(1000000)
rand_arr = rand_arr.reshape(1000, 1000)
np.mean(rand_arr)
```

    1 loop, best of 1: 18.3 ms per loop

# Installing Materials Science packages

```python
pip install pymatgen
```

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         |████████████████████████████████| 3.3 MB 6.1 MB/s
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    Successfully installed cycler-0.10.0 decorator-4.4.2 future-0.18.2 kiwisolver-1.3.1 matplotlib-3.4.2 monty-2021.7.8 mpmath-1.2.1 networkx-2.5.1 numpy-1.21.1 palettable-3.3.0 pandas-1.3.0 pillow-8.3.1 plotly-5.1.0 pymatgen-2022.0.10 pyparsing-2.4.7 python-dateutil-2.8.2 pytz-2021.1 scipy-1.7.0 spglib-1.16.1 sympy-1.8 tabulate-0.8.9 tenacity-8.0.1 typing-extensions-3.10.0.0 uncertainties-3.1.6

```python
%%timeit -n 1 -r 1
!conda install --channel conda-forge pymatgen -y
```

    Collecting package metadata (current_repodata.json): - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / done
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\ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \

```python
import pymatgen
```

```python
from pymatgen.core import Structure
```

# Opening up an interactive shell session

An interactive shell command can be opened up with the command `!bash`. To exit the shell, type `exit` into the input box

```python
!bash
```

    bash: cannot set terminal process group (62): Inappropriate ioctl for device
    bash: no job control in this shell
    /content# ls
    sample_data
    /content# cd ..
    /# cd /usr/local/bin/pbhon
    bash: cd: /usr/local/bin/pbhon: No such file or directory
    /# cd /usr/local/bin/python
    bash: cd: /usr/local/bin/python: Not a directory
    /# which python
    /usr/local/bin/python
    /# exit
    exit

# Install Conda

```python
!which conda
```

```python
!python --version
```

    Python 3.7.10

Install conda with python 3.7 (should be same python minor version as provided by google colab)
- Check https://docs.conda.io/en/latest/miniconda_hashes.html for desired version

```bash
%%bash
MINICONDA_INSTALLER_SCRIPT=Miniconda3-py37_4.9.2-Linux-x86_64.sh
MINICONDA_PREFIX=/usr/local
wget https://repo.continuum.io/miniconda/$MINICONDA_INSTALLER_SCRIPT
chmod +x $MINICONDA_INSTALLER_SCRIPT
./$MINICONDA_INSTALLER_SCRIPT -b -f -p $MINICONDA_PREFIX

```

    PREFIX=/usr/local
    Unpacking payload ...
    Collecting package metadata (current_repodata.json): ...working... done
    Solving environment: ...working... done

    ## Package Plan ##

      environment location: /usr/local

      added / updated specs:
        - _libgcc_mutex==0.1=main
        - brotlipy==0.7.0=py37h27cfd23_1003
        - ca-certificates==2020.10.14=0
        - certifi==2020.6.20=pyhd3eb1b0_3
        - cffi==1.14.3=py37h261ae71_2
        - chardet==3.0.4=py37h06a4308_1003
        - conda-package-handling==1.7.2=py37h03888b9_0
        - conda==4.9.2=py37h06a4308_0
        - cryptography==3.2.1=py37h3c74f83_1
        - idna==2.10=py_0
        - ld_impl_linux-64==2.33.1=h53a641e_7
        - libedit==3.1.20191231=h14c3975_1
        - libffi==3.3=he6710b0_2
        - libgcc-ng==9.1.0=hdf63c60_0
        - libstdcxx-ng==9.1.0=hdf63c60_0
        - ncurses==6.2=he6710b0_1
        - openssl==1.1.1h=h7b6447c_0
        - pip==20.2.4=py37h06a4308_0
        - pycosat==0.6.3=py37h27cfd23_0
        - pycparser==2.20=py_2
        - pyopenssl==19.1.0=pyhd3eb1b0_1
        - pysocks==1.7.1=py37_1
        - python==3.7.9=h7579374_0
        - readline==8.0=h7b6447c_0
        - requests==2.24.0=py_0
        - ruamel_yaml==0.15.87=py37h7b6447c_1
        - setuptools==50.3.1=py37h06a4308_1
        - six==1.15.0=py37h06a4308_0
        - sqlite==3.33.0=h62c20be_0
        - tk==8.6.10=hbc83047_0
        - tqdm==4.51.0=pyhd3eb1b0_0
        - urllib3==1.25.11=py_0
        - wheel==0.35.1=pyhd3eb1b0_0
        - xz==5.2.5=h7b6447c_0
        - yaml==0.2.5=h7b6447c_0
        - zlib==1.2.11=h7b6447c_3

    The following NEW packages will be INSTALLED:

      _libgcc_mutex      pkgs/main/linux-64::_libgcc_mutex-0.1-main
      brotlipy           pkgs/main/linux-64::brotlipy-0.7.0-py37h27cfd23_1003
      ca-certificates    pkgs/main/linux-64::ca-certificates-2020.10.14-0
      certifi            pkgs/main/noarch::certifi-2020.6.20-pyhd3eb1b0_3
      cffi               pkgs/main/linux-64::cffi-1.14.3-py37h261ae71_2
      chardet            pkgs/main/linux-64::chardet-3.0.4-py37h06a4308_1003
      conda              pkgs/main/linux-64::conda-4.9.2-py37h06a4308_0
      conda-package-han~ pkgs/main/linux-64::conda-package-handling-1.7.2-py37h03888b9_0
      cryptography       pkgs/main/linux-64::cryptography-3.2.1-py37h3c74f83_1
      idna               pkgs/main/noarch::idna-2.10-py_0
      ld_impl_linux-64   pkgs/main/linux-64::ld_impl_linux-64-2.33.1-h53a641e_7
      libedit            pkgs/main/linux-64::libedit-3.1.20191231-h14c3975_1
      libffi             pkgs/main/linux-64::libffi-3.3-he6710b0_2
      libgcc-ng          pkgs/main/linux-64::libgcc-ng-9.1.0-hdf63c60_0
      libstdcxx-ng       pkgs/main/linux-64::libstdcxx-ng-9.1.0-hdf63c60_0
      ncurses            pkgs/main/linux-64::ncurses-6.2-he6710b0_1
      openssl            pkgs/main/linux-64::openssl-1.1.1h-h7b6447c_0
      pip                pkgs/main/linux-64::pip-20.2.4-py37h06a4308_0
      pycosat            pkgs/main/linux-64::pycosat-0.6.3-py37h27cfd23_0
      pycparser          pkgs/main/noarch::pycparser-2.20-py_2
      pyopenssl          pkgs/main/noarch::pyopenssl-19.1.0-pyhd3eb1b0_1
      pysocks            pkgs/main/linux-64::pysocks-1.7.1-py37_1
      python             pkgs/main/linux-64::python-3.7.9-h7579374_0
      readline           pkgs/main/linux-64::readline-8.0-h7b6447c_0
      requests           pkgs/main/noarch::requests-2.24.0-py_0
      ruamel_yaml        pkgs/main/linux-64::ruamel_yaml-0.15.87-py37h7b6447c_1
      setuptools         pkgs/main/linux-64::setuptools-50.3.1-py37h06a4308_1
      six                pkgs/main/linux-64::six-1.15.0-py37h06a4308_0
      sqlite             pkgs/main/linux-64::sqlite-3.33.0-h62c20be_0
      tk                 pkgs/main/linux-64::tk-8.6.10-hbc83047_0
      tqdm               pkgs/main/noarch::tqdm-4.51.0-pyhd3eb1b0_0
      urllib3            pkgs/main/noarch::urllib3-1.25.11-py_0
      wheel              pkgs/main/noarch::wheel-0.35.1-pyhd3eb1b0_0
      xz                 pkgs/main/linux-64::xz-5.2.5-h7b6447c_0
      yaml               pkgs/main/linux-64::yaml-0.2.5-h7b6447c_0
      zlib               pkgs/main/linux-64::zlib-1.2.11-h7b6447c_3

    Preparing transaction: ...working... done
    Executing transaction: ...working... done
    installation finished.
    WARNING:
        You currently have a PYTHONPATH environment variable set. This may cause
        unexpected behavior when running the Python interpreter in Miniconda3.
        For best results, please verify that your PYTHONPATH only points to
        directories of packages that are compatible with the Python interpreter
        in Miniconda3: /usr/local

    --2021-07-13 18:58:29--  https://repo.continuum.io/miniconda/Miniconda3-py37_4.9.2-Linux-x86_64.sh
    Resolving repo.continuum.io (repo.continuum.io)... 104.18.200.79, 104.18.201.79, 2606:4700::6812:c94f, ...
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    HTTP request sent, awaiting response... 301 Moved Permanently
    Location: https://repo.anaconda.com/miniconda/Miniconda3-py37_4.9.2-Linux-x86_64.sh [following]
    --2021-07-13 18:58:29--  https://repo.anaconda.com/miniconda/Miniconda3-py37_4.9.2-Linux-x86_64.sh
    Resolving repo.anaconda.com (repo.anaconda.com)... 104.16.131.3, 104.16.130.3, 2606:4700::6810:8303, ...
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    HTTP request sent, awaiting response... 200 OK
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     69450K .......... .......... .......... .......... .......... 79%  187M 0s
     69500K .......... .......... .......... .......... .......... 79% 15.5M 0s
     69550K .......... .......... .......... .......... .......... 79%  124M 0s
     69600K .......... .......... .......... .......... .......... 79% 59.9M 0s
     69650K .......... .......... .......... .......... .......... 79%  121M 0s
     69700K .......... .......... .......... .......... .......... 79%  187M 0s
     69750K .......... .......... .......... .......... .......... 79%  130M 0s
     69800K .......... .......... .......... .......... .......... 79% 34.6M 0s
     69850K .......... .......... .......... .......... .......... 79% 72.5M 0s
     69900K .......... .......... .......... .......... .......... 79%  184M 0s
     69950K .......... .......... .......... .......... .......... 79%  166M 0s
     70000K .......... .......... .......... .......... .......... 79%  183M 0s
     70050K .......... .......... .......... .......... .......... 79%  186M 0s
     70100K .......... .......... .......... .......... .......... 79%  189M 0s
     70150K .......... .......... .......... .......... .......... 79%  165M 0s
     70200K .......... .......... .......... .......... .......... 79%  200M 0s
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     70300K .......... .......... .......... .......... .......... 80%  120M 0s
     70350K .......... .......... .......... .......... .......... 80% 16.7M 0s
     70400K .......... .......... .......... .......... .......... 80% 63.8M 0s
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     70550K .......... .......... .......... .......... .......... 80% 73.1M 0s
     70600K .......... .......... .......... .......... .......... 80% 91.6M 0s
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     70700K .......... .......... .......... .......... .......... 80%  183M 0s
     70750K .......... .......... .......... .......... .......... 80%  162M 0s
     70800K .......... .......... .......... .......... .......... 80%  183M 0s
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     70950K .......... .......... .......... .......... .......... 80% 18.7M 0s
     71000K .......... .......... .......... .......... .......... 80%  189M 0s
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     71100K .......... .......... .......... .......... .......... 80%  179M 0s
     71150K .......... .......... .......... .......... .......... 80% 59.0M 0s
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     71550K .......... .......... .......... .......... .......... 81%  146M 0s
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     71850K .......... .......... .......... .......... .......... 81% 28.3M 0s
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     83650K .......... .......... .......... .......... .......... 95% 56.9M 0s
     83700K .......... .......... .......... .......... .......... 95%  169M 0s
     83750K .......... .......... .......... .......... .......... 95%  168M 0s
     83800K .......... .......... .......... .......... .......... 95%  179M 0s
     83850K .......... .......... .......... .......... .......... 95%  155M 0s
     83900K .......... .......... .......... .......... .......... 95%  193M 0s
     83950K .......... .......... .......... .......... .......... 95%  148M 0s
     84000K .......... .......... .......... .......... .......... 95%  188M 0s
     84050K .......... .......... .......... .......... .......... 95%  170M 0s
     84100K .......... .......... .......... .......... .......... 95%  182M 0s
     84150K .......... .......... .......... .......... .......... 95% 30.2M 0s
     84200K .......... .......... .......... .......... .......... 95% 76.1M 0s
     84250K .......... .......... .......... .......... .......... 95% 53.6M 0s
     84300K .......... .......... .......... .......... .......... 95%  106M 0s
     84350K .......... .......... .......... .......... .......... 95%  166M 0s
     84400K .......... .......... .......... .......... .......... 96%  121M 0s
     84450K .......... .......... .......... .......... .......... 96% 55.5M 0s
     84500K .......... .......... .......... .......... .......... 96%  183M 0s
     84550K .......... .......... .......... .......... .......... 96% 86.8M 0s
     84600K .......... .......... .......... .......... .......... 96%  153M 0s
     84650K .......... .......... .......... .......... .......... 96%  173M 0s
     84700K .......... .......... .......... .......... .......... 96%  184M 0s
     84750K .......... .......... .......... .......... .......... 96%  134M 0s
     84800K .......... .......... .......... .......... .......... 96%  184M 0s
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     84900K .......... .......... .......... .......... .......... 96%  190M 0s
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     85050K .......... .......... .......... .......... .......... 96%  168M 0s
     85100K .......... .......... .......... .......... .......... 96% 65.7M 0s
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     85200K .......... .......... .......... .......... .......... 96%  176M 0s
     85250K .......... .......... .......... .......... .......... 97% 54.0M 0s
     85300K .......... .......... .......... .......... .......... 97%  188M 0s
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     85700K .......... .......... .......... .......... .......... 97% 74.7M 0s
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     85850K .......... .......... .......... .......... .......... 97%  205M 0s
     85900K .......... .......... .......... .......... .......... 97%  182M 0s
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     86000K .......... .......... .......... .......... .......... 97%  187M 0s
     86050K .......... .......... .......... .......... .......... 97%  193M 0s
     86100K .......... .......... .......... .......... .......... 97%  170M 0s
     86150K .......... .......... .......... .......... .......... 98%  173M 0s
     86200K .......... .......... .......... .......... .......... 98% 65.4M 0s
     86250K .......... .......... .......... .......... .......... 98%  176M 0s
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     86350K .......... .......... .......... .......... .......... 98%  136M 0s
     86400K .......... .......... .......... .......... .......... 98%  183M 0s
     86450K .......... .......... .......... .......... .......... 98%  195M 0s
     86500K .......... .......... .......... .......... .......... 98%  148M 0s
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     86650K .......... .......... .......... .......... .......... 98% 32.6M 0s
     86700K .......... .......... .......... .......... .......... 98%  119M 0s
     86750K .......... .......... .......... .......... .......... 98%  158M 0s
     86800K .......... .......... .......... .......... .......... 98%  178M 0s
     86850K .......... .......... .......... .......... .......... 98%  201M 0s
     86900K .......... .......... .......... .......... .......... 98% 7.23M 0s
     86950K .......... .......... .......... .......... .......... 98% 48.1M 0s
     87000K .......... .......... .......... .......... .......... 98% 68.2M 0s
     87050K .......... .......... .......... .......... .......... 99%  183M 0s
     87100K .......... .......... .......... .......... .......... 99%  193M 0s
     87150K .......... .......... .......... .......... .......... 99%  160M 0s
     87200K .......... .......... .......... .......... .......... 99% 92.0M 0s
     87250K .......... .......... .......... .......... .......... 99%  184M 0s
     87300K .......... .......... .......... .......... .......... 99%  187M 0s
     87350K .......... .......... .......... .......... .......... 99%  158M 0s
     87400K .......... .......... .......... .......... .......... 99%  187M 0s
     87450K .......... .......... .......... .......... .......... 99%  194M 0s
     87500K .......... .......... .......... .......... .......... 99%  187M 0s
     87550K .......... .......... .......... .......... .......... 99%  139M 0s
     87600K .......... .......... .......... .......... .......... 99%  187M 0s
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     87700K .......... .......... .......... .......... .......... 99%  174M 0s
     87750K .......... .......... .......... .......... .......... 99%  146M 0s
     87800K .......... .......... .......... .......... .......... 99%  186M 0s
     87850K .......... .......... .......... .......... .......... 99%  192M 0s
     87900K .......... .......... ..........                      100%  159M=0.7s

    2021-07-13 18:58:30 (119 MB/s) - ‘Miniconda3-py37_4.9.2-Linux-x86_64.sh’ saved [90040905/90040905]

Clear output if you don't want to see wall of text

```python
!which conda
!conda --version
```

    /usr/local/bin/conda
    conda 4.9.2

```bash
%%bash
conda install --channel defaults conda python=3.7 --yes
conda update --channel defaults --all --yes
```

    Collecting package metadata (current_repodata.json): ...working... done
    Solving environment: ...working... done

    ## Package Plan ##

      environment location: /usr/local

      added / updated specs:
        - conda
        - python=3.7

    The following packages will be downloaded:

        package                    |            build
        ---------------------------|-----------------
        ca-certificates-2021.7.5   |       h06a4308_1         113 KB
        certifi-2021.5.30          |   py37h06a4308_0         139 KB
        conda-4.10.3               |   py37h06a4308_0         2.9 MB
        openssl-1.1.1k             |       h27cfd23_0         2.5 MB
        python-3.7.10              |       hdb3f193_0        45.2 MB
        ------------------------------------------------------------
                                               Total:        50.8 MB

    The following packages will be UPDATED:

      ca-certificates                              2020.10.14-0 --> 2021.7.5-h06a4308_1
      certifi            pkgs/main/noarch::certifi-2020.6.20-p~ --> pkgs/main/linux-64::certifi-2021.5.30-py37h06a4308_0
      conda                                4.9.2-py37h06a4308_0 --> 4.10.3-py37h06a4308_0
      openssl                                 1.1.1h-h7b6447c_0 --> 1.1.1k-h27cfd23_0
      python                                   3.7.9-h7579374_0 --> 3.7.10-hdb3f193_0

    Downloading and Extracting Packages
    python-3.7.10        | 45.2 MB   | ########## | 100%
    openssl-1.1.1k       | 2.5 MB    | ########## | 100%
    ca-certificates-2021 | 113 KB    | ########## | 100%
    certifi-2021.5.30    | 139 KB    | ########## | 100%
    conda-4.10.3         | 2.9 MB    | ########## | 100%
    Preparing transaction: ...working... done
    Verifying transaction: ...working... done
    Executing transaction: ...working... done
    Collecting package metadata (current_repodata.json): ...working... done
    Solving environment: ...working... done

    ## Package Plan ##

      environment location: /usr/local

    The following packages will be downloaded:

        package                    |            build
        ---------------------------|-----------------
        _openmp_mutex-4.5          |            1_gnu          22 KB
        cffi-1.14.6                |   py37h400218f_0         223 KB
        chardet-4.0.0              |py37h06a4308_1003         195 KB
        conda-package-handling-1.7.3|   py37h27cfd23_1         881 KB
        cryptography-3.4.7         |   py37hd23ed53_0         904 KB
        idna-2.10                  |     pyhd3eb1b0_0          52 KB
        ld_impl_linux-64-2.35.1    |       h7274673_9         586 KB
        libgcc-ng-9.3.0            |      h5101ec6_17         4.8 MB
        libgomp-9.3.0              |      h5101ec6_17         311 KB
        libstdcxx-ng-9.3.0         |      hd4cf53a_17         3.1 MB
        pip-21.1.3                 |   py37h06a4308_0         1.8 MB
        pyopenssl-20.0.1           |     pyhd3eb1b0_1          49 KB
        python-3.7.10              |       h12debd9_4        44.0 MB
        readline-8.1               |       h27cfd23_0         362 KB
        requests-2.25.1            |     pyhd3eb1b0_0          52 KB
        ruamel_yaml-0.15.100       |   py37h27cfd23_0         253 KB
        setuptools-52.0.0          |   py37h06a4308_0         710 KB
        six-1.16.0                 |     pyhd3eb1b0_0          18 KB
        sqlite-3.36.0              |       hc218d9a_0         990 KB
        tqdm-4.61.2                |     pyhd3eb1b0_1          83 KB
        urllib3-1.26.6             |     pyhd3eb1b0_1         112 KB
        wheel-0.36.2               |     pyhd3eb1b0_0          33 KB
        ------------------------------------------------------------
                                               Total:        59.3 MB

    The following NEW packages will be INSTALLED:

      _openmp_mutex      pkgs/main/linux-64::_openmp_mutex-4.5-1_gnu
      libgomp            pkgs/main/linux-64::libgomp-9.3.0-h5101ec6_17

    The following packages will be REMOVED:

      libedit-3.1.20191231-h14c3975_1

    The following packages will be UPDATED:

      cffi                                1.14.3-py37h261ae71_2 --> 1.14.6-py37h400218f_0
      chardet                           3.0.4-py37h06a4308_1003 --> 4.0.0-py37h06a4308_1003
      conda-package-han~                   1.7.2-py37h03888b9_0 --> 1.7.3-py37h27cfd23_1
      cryptography                         3.2.1-py37h3c74f83_1 --> 3.4.7-py37hd23ed53_0
      ld_impl_linux-64                        2.33.1-h53a641e_7 --> 2.35.1-h7274673_9
      libgcc-ng                                9.1.0-hdf63c60_0 --> 9.3.0-h5101ec6_17
      libstdcxx-ng                             9.1.0-hdf63c60_0 --> 9.3.0-hd4cf53a_17
      pip                                 20.2.4-py37h06a4308_0 --> 21.1.3-py37h06a4308_0
      pyopenssl                             19.1.0-pyhd3eb1b0_1 --> 20.0.1-pyhd3eb1b0_1
      python                                  3.7.10-hdb3f193_0 --> 3.7.10-h12debd9_4
      readline                                   8.0-h7b6447c_0 --> 8.1-h27cfd23_0
      requests                                      2.24.0-py_0 --> 2.25.1-pyhd3eb1b0_0
      ruamel_yaml                        0.15.87-py37h7b6447c_1 --> 0.15.100-py37h27cfd23_0
      setuptools                          50.3.1-py37h06a4308_1 --> 52.0.0-py37h06a4308_0
      six                pkgs/main/linux-64::six-1.15.0-py37h0~ --> pkgs/main/noarch::six-1.16.0-pyhd3eb1b0_0
      sqlite                                  3.33.0-h62c20be_0 --> 3.36.0-hc218d9a_0
      tqdm                                  4.51.0-pyhd3eb1b0_0 --> 4.61.2-pyhd3eb1b0_1
      urllib3                                      1.25.11-py_0 --> 1.26.6-pyhd3eb1b0_1
      wheel                                 0.35.1-pyhd3eb1b0_0 --> 0.36.2-pyhd3eb1b0_0

    The following packages will be DOWNGRADED:

      idna                                            2.10-py_0 --> 2.10-pyhd3eb1b0_0

    Downloading and Extracting Packages
    pyopenssl-20.0.1     | 49 KB     | ########## | 100%
    ruamel_yaml-0.15.100 | 253 KB    | ########## | 100%
    sqlite-3.36.0        | 990 KB    | ########## | 100%
    _openmp_mutex-4.5    | 22 KB     | ########## | 100%
    six-1.16.0           | 18 KB     | ########## | 100%
    readline-8.1         | 362 KB    | ########## | 100%
    idna-2.10            | 52 KB     | ########## | 100%
    tqdm-4.61.2          | 83 KB     | ########## | 100%
    libstdcxx-ng-9.3.0   | 3.1 MB    | ########## | 100%
    pip-21.1.3           | 1.8 MB    | ########## | 100%
    conda-package-handli | 881 KB    | ########## | 100%
    wheel-0.36.2         | 33 KB     | ########## | 100%
    chardet-4.0.0        | 195 KB    | ########## | 100%
    ld_impl_linux-64-2.3 | 586 KB    | ########## | 100%
    libgomp-9.3.0        | 311 KB    | ########## | 100%
    python-3.7.10        | 44.0 MB   | ########## | 100%
    cffi-1.14.6          | 223 KB    | ########## | 100%
    setuptools-52.0.0    | 710 KB    | ########## | 100%
    requests-2.25.1      | 52 KB     | ########## | 100%
    libgcc-ng-9.3.0      | 4.8 MB    | ########## | 100%
    cryptography-3.4.7   | 904 KB    | ########## | 100%
    urllib3-1.26.6       | 112 KB    | ########## | 100%
    Preparing transaction: ...working... done
    Verifying transaction: ...working... done
    Executing transaction: ...working... done

```python
!which conda
!conda --version
!python --version
```

    /usr/local/bin/conda
    conda 4.10.3
    Python 3.7.10

```python
import sys
sys.path
```

    ['',
     '/content',
     '/env/python',
     '/usr/lib/python37.zip',
     '/usr/lib/python3.7',
     '/usr/lib/python3.7/lib-dynload',
     '/usr/local/lib/python3.7/dist-packages',
     '/usr/lib/python3/dist-packages',
     '/usr/local/lib/python3.7/dist-packages/IPython/extensions',
     '/root/.ipython']

```python
_ = (sys.path
        .append("/usr/local/lib/python3.7/site-packages"))
sys.path
```

    ['',
     '/content',
     '/env/python',
     '/usr/lib/python37.zip',
     '/usr/lib/python3.7',
     '/usr/lib/python3.7/lib-dynload',
     '/usr/local/lib/python3.7/dist-packages',
     '/usr/lib/python3/dist-packages',
     '/usr/local/lib/python3.7/dist-packages/IPython/extensions',
     '/root/.ipython',
     '/usr/local/lib/python3.7/site-packages']

## Installing packages using conda

```python
!conda install --channel conda-forge pymatgen -y
```

    Collecting package metadata (current_repodata.json): - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / done
    Solving environment: \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - failed with initial frozen solve. Retrying with flexible solve.
    Solving environment: | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | failed with repodata from current_repodata.json, will retry with next repodata source.
    Collecting package metadata (repodata.json): - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / done
    Solving environment: \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ done

    ## Package Plan ##

      environment location: /usr/local

      added / updated specs:
        - pymatgen

    The following packages will be downloaded:

        package                    |            build
        ---------------------------|-----------------
        alsa-lib-1.2.3             |       h516909a_0         560 KB  conda-forge
        ase-3.22.0                 |     pyhd8ed1ab_0         1.6 MB  conda-forge
        bzip2-1.0.8                |       h7f98852_4         484 KB  conda-forge
        c-ares-1.17.1              |       h7f98852_1         109 KB  conda-forge
        ca-certificates-2021.5.30  |       ha878542_0         136 KB  conda-forge
        certifi-2021.5.30          |   py37h89c1867_0         141 KB  conda-forge
        cftime-1.5.0               |   py37h6f94858_0         224 KB  conda-forge
        click-8.0.1                |   py37h89c1867_0         145 KB  conda-forge
        conda-4.10.3               |   py37h89c1867_0         3.1 MB  conda-forge
        curl-7.77.0                |       hea6ffbf_0         149 KB  conda-forge
        cycler-0.10.0              |             py_2           9 KB  conda-forge
        dataclasses-0.8            |     pyhc8e2a94_1           7 KB  conda-forge
        dbus-1.13.6                |       h48d8840_2         572 KB  conda-forge
        decorator-5.0.9            |     pyhd8ed1ab_0          11 KB  conda-forge
        double-conversion-3.1.5    |       h9c3ff4c_2          84 KB  conda-forge
        eigen-3.3.9                |       h4bd325d_1         970 KB  conda-forge
        expat-2.4.1                |       h9c3ff4c_0         182 KB  conda-forge
        ffmpeg-4.3.1               |       hca11adc_2        91.9 MB  conda-forge
        flask-2.0.1                |     pyhd8ed1ab_0          70 KB  conda-forge
        fontconfig-2.13.1          |    hba837de_1005         357 KB  conda-forge
        freetype-2.10.4            |       h0708190_1         890 KB  conda-forge
        future-0.18.2              |   py37h89c1867_3         714 KB  conda-forge
        gettext-0.19.8.1           |    h0b5b191_1005         3.6 MB  conda-forge
        gl2ps-1.4.2                |       h0708190_0         147 KB  conda-forge
        glew-2.1.0                 |       h9c3ff4c_2         647 KB  conda-forge
        glib-2.68.3                |       h9c3ff4c_0         449 KB  conda-forge
        glib-tools-2.68.3          |       h9c3ff4c_0          86 KB  conda-forge
        gmp-6.2.1                  |       h58526e2_0         806 KB  conda-forge
        gmpy2-2.1.0b5              |   py37h025e8b9_0         207 KB  conda-forge
        gnutls-3.6.13              |       h85f3911_1         2.0 MB  conda-forge
        gst-plugins-base-1.18.4    |       hf529b03_2         2.6 MB  conda-forge
        gstreamer-1.18.4           |       h76c114f_2         2.0 MB  conda-forge
        hdf4-4.2.15                |       h10796ff_3         950 KB  conda-forge
        hdf5-1.10.6                |nompi_h6a2412b_1114         3.1 MB  conda-forge
        icu-68.1                   |       h58526e2_0        13.0 MB  conda-forge
        importlib-metadata-4.6.1   |   py37h89c1867_0          31 KB  conda-forge
        itsdangerous-2.0.1         |     pyhd8ed1ab_0          17 KB  conda-forge
        jbig-2.1                   |    h7f98852_2003          43 KB  conda-forge
        jinja2-3.0.1               |     pyhd8ed1ab_0          99 KB  conda-forge
        jpeg-9d                    |       h36c2ea0_0         264 KB  conda-forge
        jsoncpp-1.9.4              |       h4bd325d_2         310 KB  conda-forge
        kiwisolver-1.3.1           |   py37h2527ec5_1          78 KB  conda-forge
        krb5-1.19.1                |       hcc1bbae_0         1.4 MB  conda-forge
        lame-3.100                 |    h7f98852_1001         496 KB  conda-forge
        latexcodec-2.0.1           |     pyh9f0ad1d_0          18 KB  conda-forge
        lcms2-2.12                 |       hddcbb42_0         443 KB  conda-forge
        lerc-2.2.1                 |       h9c3ff4c_0         213 KB  conda-forge
        libblas-3.9.0              |       9_openblas          11 KB  conda-forge
        libcblas-3.9.0             |       9_openblas          11 KB  conda-forge
        libclang-11.1.0            |default_ha53f305_1        19.2 MB  conda-forge
        libcurl-7.77.0             |       h2574ce0_0         334 KB  conda-forge
        libdeflate-1.7             |       h7f98852_5          67 KB  conda-forge
        libedit-3.1.20191231       |       he28a2e2_2         121 KB  conda-forge
        libev-4.33                 |       h516909a_1         104 KB  conda-forge
        libevent-2.1.10            |       hcdb4288_3         1.1 MB  conda-forge
        libgfortran-ng-9.3.0       |      hff62375_19          22 KB  conda-forge
        libgfortran5-9.3.0         |      hff62375_19         2.0 MB  conda-forge
        libglib-2.68.3             |       h3e27bee_0         3.1 MB  conda-forge
        libglu-9.0.0               |    he1b5a44_1001         413 KB  conda-forge
        libiconv-1.16              |       h516909a_0         1.4 MB  conda-forge
        liblapack-3.9.0            |       9_openblas          11 KB  conda-forge
        libllvm11-11.1.0           |       hf817b99_2        29.1 MB  conda-forge
        libnetcdf-4.8.0            |nompi_hcd642e3_103         1.5 MB  conda-forge
        libnghttp2-1.43.0          |       h812cca2_0         808 KB  conda-forge
        libogg-1.3.4               |       h7f98852_1         206 KB  conda-forge
        libopenblas-0.3.15         |pthreads_h8fe5266_1         9.2 MB  conda-forge
        libopus-1.3.1              |       h7f98852_1         255 KB  conda-forge
        libpng-1.6.37              |       h21135ba_2         306 KB  conda-forge
        libpq-13.3                 |       hd57d9b9_0         2.7 MB  conda-forge
        libssh2-1.9.0              |       ha56f1ee_6         226 KB  conda-forge
        libtheora-1.1.1            |    h7f98852_1005         651 KB  conda-forge
        libtiff-4.3.0              |       hf544144_1         668 KB  conda-forge
        libuuid-2.32.1             |    h7f98852_1000          28 KB  conda-forge
        libvorbis-1.3.7            |       h9c3ff4c_0         280 KB  conda-forge
        libwebp-base-1.2.0         |       h7f98852_2         815 KB  conda-forge
        libxcb-1.13                |    h7f98852_1003         395 KB  conda-forge
        libxkbcommon-1.0.3         |       he3ba5ed_0         581 KB  conda-forge
        libxml2-2.9.12             |       h72842e0_0         772 KB  conda-forge
        libzip-1.8.0               |       h4de3113_0         127 KB  conda-forge
        loguru-0.5.3               |   py37h89c1867_2          85 KB  conda-forge
        lz4-c-1.9.3                |       h9c3ff4c_0         179 KB  conda-forge
        markupsafe-2.0.1           |   py37h5e8e339_0          22 KB  conda-forge
        matplotlib-base-3.4.2      |   py37hdd32ed1_0         7.2 MB  conda-forge
        monty-2021.7.8             |     pyhd8ed1ab_0          37 KB  conda-forge
        mpc-1.1.0                  |    h04dde30_1009         105 KB  conda-forge
        mpfr-4.0.2                 |       he80fd80_1         648 KB  conda-forge
        mpmath-1.2.1               |     pyhd8ed1ab_0         437 KB  conda-forge
        mysql-common-8.0.25        |       ha770c72_2         1.6 MB  conda-forge
        mysql-libs-8.0.25          |       hfa10184_2         1.8 MB  conda-forge
        netcdf4-1.5.7              |nompi_py37h946d57d_100         530 KB  conda-forge
        nettle-3.6                 |       he412f7d_0         6.5 MB  conda-forge
        networkx-2.5               |             py_0         1.2 MB  conda-forge
        nspr-4.30                  |       h9c3ff4c_0         233 KB  conda-forge
        nss-3.67                   |       hb5efdd6_0         2.1 MB  conda-forge
        numpy-1.21.0               |   py37h038b26d_0         6.1 MB  conda-forge
        olefile-0.46               |     pyh9f0ad1d_1          32 KB  conda-forge
        openh264-2.1.1             |       h780b84a_0         1.5 MB  conda-forge
        openjpeg-2.4.0             |       hb52868f_1         444 KB  conda-forge
        openssl-1.1.1k             |       h7f98852_0         2.1 MB  conda-forge
        palettable-3.3.0           |             py_0          86 KB  conda-forge
        pandas-1.3.0               |   py37h219a48f_0        12.7 MB  conda-forge
        pcre-8.45                  |       h9c3ff4c_0         253 KB  conda-forge
        pillow-8.3.1               |   py37h0f21c89_0         692 KB  conda-forge
        plotly-4.14.3              |     pyh44b312d_0         5.9 MB  conda-forge
        proj-7.2.0                 |       h277dcde_2         3.0 MB  conda-forge
        pthread-stubs-0.4          |    h36c2ea0_1001           5 KB  conda-forge
        pugixml-1.11.4             |       h9c3ff4c_0         125 KB  conda-forge
        pybtex-0.24.0              |   py37h89c1867_0         305 KB  conda-forge
        pymatgen-2022.0.10         |   py37h2527ec5_0         3.6 MB  conda-forge
        pyparsing-2.4.7            |     pyh9f0ad1d_0          60 KB  conda-forge
        python-dateutil-2.8.1      |             py_0         220 KB  conda-forge
        python_abi-3.7             |          2_cp37m           4 KB  conda-forge
        pytz-2021.1                |     pyhd8ed1ab_0         239 KB  conda-forge
        pyyaml-5.4.1               |   py37h5e8e339_0         189 KB  conda-forge
        qt-5.12.9                  |       hda022c4_4        99.5 MB  conda-forge
        retrying-1.3.3             |             py_2          11 KB  conda-forge
        ruamel.yaml-0.17.10        |   py37h5e8e339_0         169 KB  conda-forge
        ruamel.yaml.clib-0.2.2     |   py37h5e8e339_2         171 KB  conda-forge
        scipy-1.7.0                |   py37h29e03ee_0        21.7 MB  conda-forge
        spglib-1.16.1              |   py37h902c9e0_0         610 KB  conda-forge
        sympy-1.8                  |   py37h89c1867_0        11.1 MB  conda-forge
        tabulate-0.8.9             |     pyhd8ed1ab_0          26 KB  conda-forge
        tbb-2020.2                 |       h4bd325d_4         1.5 MB  conda-forge
        tbb-devel-2020.2           |       h4bd325d_4         1.5 MB  conda-forge
        tornado-6.1                |   py37h5e8e339_1         646 KB  conda-forge
        typing-extensions-3.10.0.0 |       hd8ed1ab_0           8 KB  conda-forge
        typing_extensions-3.10.0.0 |     pyha770c72_0          28 KB  conda-forge
        uncertainties-3.1.6        |     pyhd8ed1ab_0          76 KB  conda-forge
        utfcpp-3.2.1               |       ha770c72_0          10 KB  conda-forge
        vtk-9.0.3                  |no_osmesa_py37h7b56ff3_100        36.0 MB  conda-forge
        werkzeug-2.0.1             |     pyhd8ed1ab_0         219 KB  conda-forge
        x264-1!161.3030            |       h7f98852_1         2.5 MB  conda-forge
        xorg-kbproto-1.0.7         |    h7f98852_1002          27 KB  conda-forge
        xorg-libice-1.0.10         |       h7f98852_0          58 KB  conda-forge
        xorg-libsm-1.2.3           |    hd9c2040_1000          26 KB  conda-forge
        xorg-libx11-1.7.2          |       h7f98852_0         941 KB  conda-forge
        xorg-libxau-1.0.9          |       h7f98852_0          13 KB  conda-forge
        xorg-libxdmcp-1.1.3        |       h7f98852_0          19 KB  conda-forge
        xorg-libxext-1.3.4         |       h7f98852_1          54 KB  conda-forge
        xorg-libxt-1.2.1           |       h7f98852_2         375 KB  conda-forge
        xorg-xextproto-7.3.0       |    h7f98852_1002          28 KB  conda-forge
        xorg-xproto-7.0.31         |    h7f98852_1007          73 KB  conda-forge
        zipp-3.5.0                 |     pyhd8ed1ab_0          12 KB  conda-forge
        zstd-1.5.0                 |       ha95c52a_0         490 KB  conda-forge
        ------------------------------------------------------------
                                               Total:       449.2 MB

    The following NEW packages will be INSTALLED:

      alsa-lib           conda-forge/linux-64::alsa-lib-1.2.3-h516909a_0
      ase                conda-forge/noarch::ase-3.22.0-pyhd8ed1ab_0
      bzip2              conda-forge/linux-64::bzip2-1.0.8-h7f98852_4
      c-ares             conda-forge/linux-64::c-ares-1.17.1-h7f98852_1
      cftime             conda-forge/linux-64::cftime-1.5.0-py37h6f94858_0
      click              conda-forge/linux-64::click-8.0.1-py37h89c1867_0
      curl               conda-forge/linux-64::curl-7.77.0-hea6ffbf_0
      cycler             conda-forge/noarch::cycler-0.10.0-py_2
      dataclasses        conda-forge/noarch::dataclasses-0.8-pyhc8e2a94_1
      dbus               conda-forge/linux-64::dbus-1.13.6-h48d8840_2
      decorator          conda-forge/noarch::decorator-5.0.9-pyhd8ed1ab_0
      double-conversion  conda-forge/linux-64::double-conversion-3.1.5-h9c3ff4c_2
      eigen              conda-forge/linux-64::eigen-3.3.9-h4bd325d_1
      expat              conda-forge/linux-64::expat-2.4.1-h9c3ff4c_0
      ffmpeg             conda-forge/linux-64::ffmpeg-4.3.1-hca11adc_2
      flask              conda-forge/noarch::flask-2.0.1-pyhd8ed1ab_0
      fontconfig         conda-forge/linux-64::fontconfig-2.13.1-hba837de_1005
      freetype           conda-forge/linux-64::freetype-2.10.4-h0708190_1
      future             conda-forge/linux-64::future-0.18.2-py37h89c1867_3
      gettext            conda-forge/linux-64::gettext-0.19.8.1-h0b5b191_1005
      gl2ps              conda-forge/linux-64::gl2ps-1.4.2-h0708190_0
      glew               conda-forge/linux-64::glew-2.1.0-h9c3ff4c_2
      glib               conda-forge/linux-64::glib-2.68.3-h9c3ff4c_0
      glib-tools         conda-forge/linux-64::glib-tools-2.68.3-h9c3ff4c_0
      gmp                conda-forge/linux-64::gmp-6.2.1-h58526e2_0
      gmpy2              conda-forge/linux-64::gmpy2-2.1.0b5-py37h025e8b9_0
      gnutls             conda-forge/linux-64::gnutls-3.6.13-h85f3911_1
      gst-plugins-base   conda-forge/linux-64::gst-plugins-base-1.18.4-hf529b03_2
      gstreamer          conda-forge/linux-64::gstreamer-1.18.4-h76c114f_2
      hdf4               conda-forge/linux-64::hdf4-4.2.15-h10796ff_3
      hdf5               conda-forge/linux-64::hdf5-1.10.6-nompi_h6a2412b_1114
      icu                conda-forge/linux-64::icu-68.1-h58526e2_0
      importlib-metadata conda-forge/linux-64::importlib-metadata-4.6.1-py37h89c1867_0
      itsdangerous       conda-forge/noarch::itsdangerous-2.0.1-pyhd8ed1ab_0
      jbig               conda-forge/linux-64::jbig-2.1-h7f98852_2003
      jinja2             conda-forge/noarch::jinja2-3.0.1-pyhd8ed1ab_0
      jpeg               conda-forge/linux-64::jpeg-9d-h36c2ea0_0
      jsoncpp            conda-forge/linux-64::jsoncpp-1.9.4-h4bd325d_2
      kiwisolver         conda-forge/linux-64::kiwisolver-1.3.1-py37h2527ec5_1
      krb5               conda-forge/linux-64::krb5-1.19.1-hcc1bbae_0
      lame               conda-forge/linux-64::lame-3.100-h7f98852_1001
      latexcodec         conda-forge/noarch::latexcodec-2.0.1-pyh9f0ad1d_0
      lcms2              conda-forge/linux-64::lcms2-2.12-hddcbb42_0
      lerc               conda-forge/linux-64::lerc-2.2.1-h9c3ff4c_0
      libblas            conda-forge/linux-64::libblas-3.9.0-9_openblas
      libcblas           conda-forge/linux-64::libcblas-3.9.0-9_openblas
      libclang           conda-forge/linux-64::libclang-11.1.0-default_ha53f305_1
      libcurl            conda-forge/linux-64::libcurl-7.77.0-h2574ce0_0
      libdeflate         conda-forge/linux-64::libdeflate-1.7-h7f98852_5
      libedit            conda-forge/linux-64::libedit-3.1.20191231-he28a2e2_2
      libev              conda-forge/linux-64::libev-4.33-h516909a_1
      libevent           conda-forge/linux-64::libevent-2.1.10-hcdb4288_3
      libgfortran-ng     conda-forge/linux-64::libgfortran-ng-9.3.0-hff62375_19
      libgfortran5       conda-forge/linux-64::libgfortran5-9.3.0-hff62375_19
      libglib            conda-forge/linux-64::libglib-2.68.3-h3e27bee_0
      libglu             conda-forge/linux-64::libglu-9.0.0-he1b5a44_1001
      libiconv           conda-forge/linux-64::libiconv-1.16-h516909a_0
      liblapack          conda-forge/linux-64::liblapack-3.9.0-9_openblas
      libllvm11          conda-forge/linux-64::libllvm11-11.1.0-hf817b99_2
      libnetcdf          conda-forge/linux-64::libnetcdf-4.8.0-nompi_hcd642e3_103
      libnghttp2         conda-forge/linux-64::libnghttp2-1.43.0-h812cca2_0
      libogg             conda-forge/linux-64::libogg-1.3.4-h7f98852_1
      libopenblas        conda-forge/linux-64::libopenblas-0.3.15-pthreads_h8fe5266_1
      libopus            conda-forge/linux-64::libopus-1.3.1-h7f98852_1
      libpng             conda-forge/linux-64::libpng-1.6.37-h21135ba_2
      libpq              conda-forge/linux-64::libpq-13.3-hd57d9b9_0
      libssh2            conda-forge/linux-64::libssh2-1.9.0-ha56f1ee_6
      libtheora          conda-forge/linux-64::libtheora-1.1.1-h7f98852_1005
      libtiff            conda-forge/linux-64::libtiff-4.3.0-hf544144_1
      libuuid            conda-forge/linux-64::libuuid-2.32.1-h7f98852_1000
      libvorbis          conda-forge/linux-64::libvorbis-1.3.7-h9c3ff4c_0
      libwebp-base       conda-forge/linux-64::libwebp-base-1.2.0-h7f98852_2
      libxcb             conda-forge/linux-64::libxcb-1.13-h7f98852_1003
      libxkbcommon       conda-forge/linux-64::libxkbcommon-1.0.3-he3ba5ed_0
      libxml2            conda-forge/linux-64::libxml2-2.9.12-h72842e0_0
      libzip             conda-forge/linux-64::libzip-1.8.0-h4de3113_0
      loguru             conda-forge/linux-64::loguru-0.5.3-py37h89c1867_2
      lz4-c              conda-forge/linux-64::lz4-c-1.9.3-h9c3ff4c_0
      markupsafe         conda-forge/linux-64::markupsafe-2.0.1-py37h5e8e339_0
      matplotlib-base    conda-forge/linux-64::matplotlib-base-3.4.2-py37hdd32ed1_0
      monty              conda-forge/noarch::monty-2021.7.8-pyhd8ed1ab_0
      mpc                conda-forge/linux-64::mpc-1.1.0-h04dde30_1009
      mpfr               conda-forge/linux-64::mpfr-4.0.2-he80fd80_1
      mpmath             conda-forge/noarch::mpmath-1.2.1-pyhd8ed1ab_0
      mysql-common       conda-forge/linux-64::mysql-common-8.0.25-ha770c72_2
      mysql-libs         conda-forge/linux-64::mysql-libs-8.0.25-hfa10184_2
      netcdf4            conda-forge/linux-64::netcdf4-1.5.7-nompi_py37h946d57d_100
      nettle             conda-forge/linux-64::nettle-3.6-he412f7d_0
      networkx           conda-forge/noarch::networkx-2.5-py_0
      nspr               conda-forge/linux-64::nspr-4.30-h9c3ff4c_0
      nss                conda-forge/linux-64::nss-3.67-hb5efdd6_0
      numpy              conda-forge/linux-64::numpy-1.21.0-py37h038b26d_0
      olefile            conda-forge/noarch::olefile-0.46-pyh9f0ad1d_1
      openh264           conda-forge/linux-64::openh264-2.1.1-h780b84a_0
      openjpeg           conda-forge/linux-64::openjpeg-2.4.0-hb52868f_1
      palettable         conda-forge/noarch::palettable-3.3.0-py_0
      pandas             conda-forge/linux-64::pandas-1.3.0-py37h219a48f_0
      pcre               conda-forge/linux-64::pcre-8.45-h9c3ff4c_0
      pillow             conda-forge/linux-64::pillow-8.3.1-py37h0f21c89_0
      plotly             conda-forge/noarch::plotly-4.14.3-pyh44b312d_0
      proj               conda-forge/linux-64::proj-7.2.0-h277dcde_2
      pthread-stubs      conda-forge/linux-64::pthread-stubs-0.4-h36c2ea0_1001
      pugixml            conda-forge/linux-64::pugixml-1.11.4-h9c3ff4c_0
      pybtex             conda-forge/linux-64::pybtex-0.24.0-py37h89c1867_0
      pymatgen           conda-forge/linux-64::pymatgen-2022.0.10-py37h2527ec5_0
      pyparsing          conda-forge/noarch::pyparsing-2.4.7-pyh9f0ad1d_0
      python-dateutil    conda-forge/noarch::python-dateutil-2.8.1-py_0
      python_abi         conda-forge/linux-64::python_abi-3.7-2_cp37m
      pytz               conda-forge/noarch::pytz-2021.1-pyhd8ed1ab_0
      pyyaml             conda-forge/linux-64::pyyaml-5.4.1-py37h5e8e339_0
      qt                 conda-forge/linux-64::qt-5.12.9-hda022c4_4
      retrying           conda-forge/noarch::retrying-1.3.3-py_2
      ruamel.yaml        conda-forge/linux-64::ruamel.yaml-0.17.10-py37h5e8e339_0
      ruamel.yaml.clib   conda-forge/linux-64::ruamel.yaml.clib-0.2.2-py37h5e8e339_2
      scipy              conda-forge/linux-64::scipy-1.7.0-py37h29e03ee_0
      spglib             conda-forge/linux-64::spglib-1.16.1-py37h902c9e0_0
      sympy              conda-forge/linux-64::sympy-1.8-py37h89c1867_0
      tabulate           conda-forge/noarch::tabulate-0.8.9-pyhd8ed1ab_0
      tbb                conda-forge/linux-64::tbb-2020.2-h4bd325d_4
      tbb-devel          conda-forge/linux-64::tbb-devel-2020.2-h4bd325d_4
      tornado            conda-forge/linux-64::tornado-6.1-py37h5e8e339_1
      typing-extensions  conda-forge/noarch::typing-extensions-3.10.0.0-hd8ed1ab_0
      typing_extensions  conda-forge/noarch::typing_extensions-3.10.0.0-pyha770c72_0
      uncertainties      conda-forge/noarch::uncertainties-3.1.6-pyhd8ed1ab_0
      utfcpp             conda-forge/linux-64::utfcpp-3.2.1-ha770c72_0
      vtk                conda-forge/linux-64::vtk-9.0.3-no_osmesa_py37h7b56ff3_100
      werkzeug           conda-forge/noarch::werkzeug-2.0.1-pyhd8ed1ab_0
      x264               conda-forge/linux-64::x264-1!161.3030-h7f98852_1
      xorg-kbproto       conda-forge/linux-64::xorg-kbproto-1.0.7-h7f98852_1002
      xorg-libice        conda-forge/linux-64::xorg-libice-1.0.10-h7f98852_0
      xorg-libsm         conda-forge/linux-64::xorg-libsm-1.2.3-hd9c2040_1000
      xorg-libx11        conda-forge/linux-64::xorg-libx11-1.7.2-h7f98852_0
      xorg-libxau        conda-forge/linux-64::xorg-libxau-1.0.9-h7f98852_0
      xorg-libxdmcp      conda-forge/linux-64::xorg-libxdmcp-1.1.3-h7f98852_0
      xorg-libxext       conda-forge/linux-64::xorg-libxext-1.3.4-h7f98852_1
      xorg-libxt         conda-forge/linux-64::xorg-libxt-1.2.1-h7f98852_2
      xorg-xextproto     conda-forge/linux-64::xorg-xextproto-7.3.0-h7f98852_1002
      xorg-xproto        conda-forge/linux-64::xorg-xproto-7.0.31-h7f98852_1007
      zipp               conda-forge/noarch::zipp-3.5.0-pyhd8ed1ab_0
      zstd               conda-forge/linux-64::zstd-1.5.0-ha95c52a_0

    The following packages will be SUPERSEDED by a higher-priority channel:

      ca-certificates    pkgs/main::ca-certificates-2021.7.5-h~ --> conda-forge::ca-certificates-2021.5.30-ha878542_0
      certifi            pkgs/main::certifi-2021.5.30-py37h06a~ --> conda-forge::certifi-2021.5.30-py37h89c1867_0
      conda              pkgs/main::conda-4.10.3-py37h06a4308_0 --> conda-forge::conda-4.10.3-py37h89c1867_0
      openssl              pkgs/main::openssl-1.1.1k-h27cfd23_0 --> conda-forge::openssl-1.1.1k-h7f98852_0

    Downloading and Extracting Packages
    matplotlib-base-3.4. | 7.2 MB    | : 100% 1.0/1 [00:01<00:00,  1.80s/it]
    pyparsing-2.4.7      | 60 KB     | : 100% 1.0/1 [00:00<00:00, 13.04it/s]
    eigen-3.3.9          | 970 KB    | : 100% 1.0/1 [00:00<00:00,  2.27it/s]
    libgfortran-ng-9.3.0 | 22 KB     | : 100% 1.0/1 [00:00<00:00, 18.95it/s]
    gst-plugins-base-1.1 | 2.6 MB    | : 100% 1.0/1 [00:00<00:00,  1.34it/s]
    cftime-1.5.0         | 224 KB    | : 100% 1.0/1 [00:00<00:00, 10.71it/s]
    alsa-lib-1.2.3       | 560 KB    | : 100% 1.0/1 [00:00<00:00,  6.46it/s]
    tbb-devel-2020.2     | 1.5 MB    | : 100% 1.0/1 [00:00<00:00,  2.85it/s]
    gmpy2-2.1.0b5        | 207 KB    | : 100% 1.0/1 [00:00<00:00, 12.11it/s]
    openh264-2.1.1       | 1.5 MB    | : 100% 1.0/1 [00:00<00:00,  3.01it/s]
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    pyyaml-5.4.1         | 189 KB    | : 100% 1.0/1 [00:00<00:00, 12.89it/s]
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    libopenblas-0.3.15   | 9.2 MB    | : 100% 1.0/1 [00:02<00:00,  2.19s/it]
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    future-0.18.2        | 714 KB    | : 100% 1.0/1 [00:00<00:00,  3.40it/s]
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    libvorbis-1.3.7      | 280 KB    | : 100% 1.0/1 [00:00<00:00, 10.02it/s]
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    xorg-xproto-7.0.31   | 73 KB     | : 100% 1.0/1 [00:00<00:00, 17.11it/s]
    spglib-1.16.1        | 610 KB    | : 100% 1.0/1 [00:00<00:00,  2.38it/s]
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    libevent-2.1.10      | 1.1 MB    | : 100% 1.0/1 [00:00<00:00,  2.20it/s]
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    openssl-1.1.1k       | 2.1 MB    | : 100% 1.0/1 [00:00<00:00,  2.02it/s]
    proj-7.2.0           | 3.0 MB    | : 100% 1.0/1 [00:00<00:00,  1.37it/s]
    typing-extensions-3. | 8 KB      | : 100% 1.0/1 [00:00<00:00, 29.40it/s]
    vtk-9.0.3            | 36.0 MB   | : 100% 1.0/1 [00:09<00:00,  9.79s/it]
    libclang-11.1.0      | 19.2 MB   | : 100% 1.0/1 [00:04<00:00,  4.47s/it]
    nspr-4.30            | 233 KB    | : 100% 1.0/1 [00:00<00:00,  9.40it/s]
    libllvm11-11.1.0     | 29.1 MB   | : 100% 1.0/1 [00:06<00:00,  6.39s/it]
    ase-3.22.0           | 1.6 MB    | : 100% 1.0/1 [00:00<00:00,  1.52it/s]
    libxml2-2.9.12       | 772 KB    | : 100% 1.0/1 [00:00<00:00,  5.20it/s]
    glib-2.68.3          | 449 KB    | : 100% 1.0/1 [00:00<00:00,  4.44it/s]
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    libopus-1.3.1        | 255 KB    | : 100% 1.0/1 [00:00<00:00,  9.00it/s]
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    kiwisolver-1.3.1     | 78 KB     | : 100% 1.0/1 [00:00<00:00, 20.15it/s]
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    certifi-2021.5.30    | 141 KB    | : 100% 1.0/1 [00:00<00:00, 13.96it/s]
    werkzeug-2.0.1       | 219 KB    | : 100% 1.0/1 [00:00<00:00, 10.01it/s]
    cycler-0.10.0        | 9 KB      | : 100% 1.0/1 [00:00<00:00, 16.31it/s]
    decorator-5.0.9      | 11 KB     | : 100% 1.0/1 [00:00<00:00, 16.68it/s]
    glib-tools-2.68.3    | 86 KB     | : 100% 1.0/1 [00:00<00:00, 17.65it/s]
    libpq-13.3           | 2.7 MB    | : 100% 1.0/1 [00:00<00:00,  1.24it/s]
    pymatgen-2022.0.10   | 3.6 MB    | : 100% 1.0/1 [00:01<00:00,  1.52s/it]
    double-conversion-3. | 84 KB     | : 100% 1.0/1 [00:00<00:00, 21.58it/s]
    libogg-1.3.4         | 206 KB    | : 100% 1.0/1 [00:00<00:00, 13.22it/s]
    libuuid-2.32.1       | 28 KB     | : 100% 1.0/1 [00:00<00:00, 16.78it/s]
    conda-4.10.3         | 3.1 MB    | : 100% 1.0/1 [00:00<00:00,  1.20it/s]
    libcblas-3.9.0       | 11 KB     | : 100% 1.0/1 [00:00<00:00, 16.23it/s]
    numpy-1.21.0         | 6.1 MB    | : 100% 1.0/1 [00:01<00:00,  1.73s/it]
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    xorg-libxt-1.2.1     | 375 KB    | : 100% 1.0/1 [00:00<00:00,  6.81it/s]
    hdf5-1.10.6          | 3.1 MB    | : 100% 1.0/1 [00:00<00:00,  1.45it/s]
    dataclasses-0.8      | 7 KB      | : 100% 1.0/1 [00:00<00:00, 30.39it/s]
    libcurl-7.77.0       | 334 KB    | : 100% 1.0/1 [00:00<00:00,  9.60it/s]
    pytz-2021.1          | 239 KB    | : 100% 1.0/1 [00:00<00:00,  6.38it/s]
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    qt-5.12.9            | 99.5 MB   | : 100% 1.0/1 [00:24<00:00, 24.33s/it]
    lame-3.100           | 496 KB    | : 100% 1.0/1 [00:00<00:00,  6.55it/s]
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    expat-2.4.1          | 182 KB    | : 100% 1.0/1 [00:00<00:00, 12.91it/s]
    curl-7.77.0          | 149 KB    | : 100% 1.0/1 [00:00<00:00, 17.20it/s]
    ruamel.yaml.clib-0.2 | 171 KB    | : 100% 1.0/1 [00:00<00:00, 14.31it/s]
    scipy-1.7.0          | 21.7 MB   | : 100% 1.0/1 [00:04<00:00,  4.90s/it]
    gstreamer-1.18.4     | 2.0 MB    | : 100% 1.0/1 [00:00<00:00,  1.68it/s]
    jpeg-9d              | 264 KB    | : 100% 1.0/1 [00:00<00:00,  8.33it/s]
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    libgfortran5-9.3.0   | 2.0 MB    | : 100% 1.0/1 [00:00<00:00,  1.72it/s]
    xorg-libxdmcp-1.1.3  | 19 KB     | : 100% 1.0/1 [00:00<00:00, 21.51it/s]
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    flask-2.0.1          | 70 KB     | : 100% 1.0/1 [00:00<00:00, 14.21it/s]
    fontconfig-2.13.1    | 357 KB    | : 100% 1.0/1 [00:00<00:00,  6.69it/s]
    jinja2-3.0.1         | 99 KB     | : 100% 1.0/1 [00:00<00:00, 12.16it/s]
    gettext-0.19.8.1     | 3.6 MB    | : 100% 1.0/1 [00:01<00:00,  1.20s/it]
    libssh2-1.9.0        | 226 KB    | : 100% 1.0/1 [00:00<00:00, 10.03it/s]
    latexcodec-2.0.1     | 18 KB     | : 100% 1.0/1 [00:00<00:00, 35.38it/s]
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    xorg-libice-1.0.10   | 58 KB     | : 100% 1.0/1 [00:00<00:00, 23.60it/s]
    libblas-3.9.0        | 11 KB     | : 100% 1.0/1 [00:00<00:00, 15.28it/s]
    jbig-2.1             | 43 KB     | : 100% 1.0/1 [00:00<00:00, 29.40it/s]
    libedit-3.1.20191231 | 121 KB    | : 100% 1.0/1 [00:00<00:00, 16.81it/s]
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    tabulate-0.8.9       | 26 KB     | : 100% 1.0/1 [00:00<00:00, 25.91it/s]
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    libglu-9.0.0         | 413 KB    | : 100% 1.0/1 [00:00<00:00,  8.20it/s]
    gl2ps-1.4.2          | 147 KB    | : 100% 1.0/1 [00:00<00:00, 17.55it/s]
    plotly-4.14.3        | 5.9 MB    | : 100% 1.0/1 [00:03<00:00,  3.86s/it]
    utfcpp-3.2.1         | 10 KB     | : 100% 1.0/1 [00:00<00:00, 27.50it/s]
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    pthread-stubs-0.4    | 5 KB      | : 100% 1.0/1 [00:00<00:00, 16.28it/s]
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    gnutls-3.6.13        | 2.0 MB    | : 100% 1.0/1 [00:00<00:00,  1.28it/s]
    openjpeg-2.4.0       | 444 KB    | : 100% 1.0/1 [00:00<00:00,  6.52it/s]
    mysql-common-8.0.25  | 1.6 MB    | : 100% 1.0/1 [00:00<00:00,  1.26it/s]
    libnghttp2-1.43.0    | 808 KB    | : 100% 1.0/1 [00:00<00:00,  5.28it/s]
    icu-68.1             | 13.0 MB   | : 100% 1.0/1 [00:02<00:00,  2.61s/it]
    ca-certificates-2021 | 136 KB    | : 100% 1.0/1 [00:00<00:00, 22.45it/s]
    uncertainties-3.1.6  | 76 KB     | : 100% 1.0/1 [00:00<00:00, 18.95it/s]
    libtiff-4.3.0        | 668 KB    | : 100% 1.0/1 [00:00<00:00,  5.37it/s]
    lz4-c-1.9.3          | 179 KB    | : 100% 1.0/1 [00:00<00:00, 15.16it/s]
    xorg-xextproto-7.3.0 | 28 KB     | : 100% 1.0/1 [00:00<00:00, 21.33it/s]
    xorg-libx11-1.7.2    | 941 KB    | : 100% 1.0/1 [00:00<00:00,  4.24it/s]
    libzip-1.8.0         | 127 KB    | : 100% 1.0/1 [00:00<00:00, 12.56it/s]
    zipp-3.5.0           | 12 KB     | : 100% 1.0/1 [00:00<00:00, 33.05it/s]
    krb5-1.19.1          | 1.4 MB    | : 100% 1.0/1 [00:00<00:00,  2.34it/s]
    olefile-0.46         | 32 KB     | : 100% 1.0/1 [00:00<00:00, 24.32it/s]
    mpmath-1.2.1         | 437 KB    | : 100% 1.0/1 [00:00<00:00,  6.42it/s]
    retrying-1.3.3       | 11 KB     | : 100% 1.0/1 [00:00<00:00, 31.35it/s]
    Preparing transaction: / - \ | / - \ | / - \ | / - \ | / - \ | / - done
    Verifying transaction: | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / done
    Executing transaction: \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / done

```python
import sys
sys.path
```

    ['',
     '/content',
     '/env/python',
     '/usr/lib/python37.zip',
     '/usr/lib/python3.7',
     '/usr/lib/python3.7/lib-dynload',
     '/usr/local/lib/python3.7/dist-packages',
     '/usr/lib/python3/dist-packages',
     '/usr/local/lib/python3.7/dist-packages/IPython/extensions',
     '/root/.ipython',
     '/usr/local/lib/python3.7/site-packages']

```python
from pymatgen.core import Composition
```

# Create a conda environment

```python
!conda create -y --name mp_env python=3.9
```

    Collecting package metadata (current_repodata.json): - \ | / - done
    Solving environment: | / done

    ## Package Plan ##

      environment location: /usr/local/envs/mp_env

      added / updated specs:
        - python=3.9

    The following packages will be downloaded:

        package                    |            build
        ---------------------------|-----------------
        certifi-2021.5.30          |   py39h06a4308_0         139 KB
        pip-21.1.3                 |   py39h06a4308_0         1.8 MB
        python-3.9.5               |       h12debd9_4        22.6 MB
        setuptools-52.0.0          |   py39h06a4308_0         724 KB
        tzdata-2021a               |       h52ac0ba_0         108 KB
        ------------------------------------------------------------
                                               Total:        25.4 MB

    The following NEW packages will be INSTALLED:

      _libgcc_mutex      pkgs/main/linux-64::_libgcc_mutex-0.1-main
      _openmp_mutex      pkgs/main/linux-64::_openmp_mutex-4.5-1_gnu
      ca-certificates    pkgs/main/linux-64::ca-certificates-2021.7.5-h06a4308_1
      certifi            pkgs/main/linux-64::certifi-2021.5.30-py39h06a4308_0
      ld_impl_linux-64   pkgs/main/linux-64::ld_impl_linux-64-2.35.1-h7274673_9
      libffi             pkgs/main/linux-64::libffi-3.3-he6710b0_2
      libgcc-ng          pkgs/main/linux-64::libgcc-ng-9.3.0-h5101ec6_17
      libgomp            pkgs/main/linux-64::libgomp-9.3.0-h5101ec6_17
      libstdcxx-ng       pkgs/main/linux-64::libstdcxx-ng-9.3.0-hd4cf53a_17
      ncurses            pkgs/main/linux-64::ncurses-6.2-he6710b0_1
      openssl            pkgs/main/linux-64::openssl-1.1.1k-h27cfd23_0
      pip                pkgs/main/linux-64::pip-21.1.3-py39h06a4308_0
      python             pkgs/main/linux-64::python-3.9.5-h12debd9_4
      readline           pkgs/main/linux-64::readline-8.1-h27cfd23_0
      setuptools         pkgs/main/linux-64::setuptools-52.0.0-py39h06a4308_0
      sqlite             pkgs/main/linux-64::sqlite-3.36.0-hc218d9a_0
      tk                 pkgs/main/linux-64::tk-8.6.10-hbc83047_0
      tzdata             pkgs/main/noarch::tzdata-2021a-h52ac0ba_0
      wheel              pkgs/main/noarch::wheel-0.36.2-pyhd3eb1b0_0
      xz                 pkgs/main/linux-64::xz-5.2.5-h7b6447c_0
      zlib               pkgs/main/linux-64::zlib-1.2.11-h7b6447c_3

    Downloading and Extracting Packages
    certifi-2021.5.30    | 139 KB    | : 100% 1.0/1 [00:00<00:00, 10.91it/s]
    python-3.9.5         | 22.6 MB   | : 100% 1.0/1 [00:05<00:00,  5.26s/it]
    setuptools-52.0.0    | 724 KB    | : 100% 1.0/1 [00:00<00:00,  8.13it/s]
    tzdata-2021a         | 108 KB    | : 100% 1.0/1 [00:00<00:00,  9.29it/s]
    pip-21.1.3           | 1.8 MB    | : 100% 1.0/1 [00:00<00:00,  4.73it/s]
    Preparing transaction: \ | / - done
    Verifying transaction: | / - \ | / - \ | / - \ | / - \ | / - \ | done
    Executing transaction: - \ | / - \ | / - \ | / - done
    #
    # To activate this environment, use
    #
    #     $ conda activate mp_env
    #
    # To deactivate an active environment, use
    #
    #     $ conda deactivate

```python
!conda info | grep -i 'base environment'
```

           base environment : /usr/local  (writable)

```bash
%%bash

#make conda functions available in subshell
source /usr/local/etc/profile.d/conda.sh
conda activate mp_env
python --version
pip install pymatgen
```

    no change     /usr/local/condabin/conda
    no change     /usr/local/bin/conda
    no change     /usr/local/bin/conda-env
    no change     /usr/local/bin/activate
    no change     /usr/local/bin/deactivate
    no change     /usr/local/etc/profile.d/conda.sh
    no change     /usr/local/etc/fish/conf.d/conda.fish
    no change     /usr/local/shell/condabin/Conda.psm1
    no change     /usr/local/shell/condabin/conda-hook.ps1
    no change     /usr/local/lib/python3.7/site-packages/xontrib/conda.xsh
    no change     /usr/local/etc/profile.d/conda.csh
    no change     /root/.bashrc
    No action taken.
    Python 3.9.5
    Requirement already satisfied: pymatgen in /usr/local/envs/mp_env/lib/python3.9/site-packages (2022.0.10)
    Requirement already satisfied: spglib>=1.9.9.44 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (1.16.1)
    Requirement already satisfied: pandas in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (1.3.0)
    Requirement already satisfied: plotly>=4.5.0 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (5.1.0)
    Requirement already satisfied: matplotlib>=1.5 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (3.4.2)
    Requirement already satisfied: scipy>=1.5.0 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (1.7.0)
    Requirement already satisfied: monty>=3.0.2 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (2021.7.8)
    Requirement already satisfied: palettable>=3.1.1 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (3.3.0)
    Requirement already satisfied: requests in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (2.26.0)
    Requirement already satisfied: tabulate in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (0.8.9)
    Requirement already satisfied: networkx>=2.2 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (2.5.1)
    Requirement already satisfied: uncertainties>=3.1.4 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (3.1.6)
    Requirement already satisfied: sympy in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (1.8)
    Requirement already satisfied: ruamel.yaml>=0.15.6 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (0.17.10)
    Requirement already satisfied: numpy>=1.20.1 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pymatgen) (1.21.0)
    Requirement already satisfied: kiwisolver>=1.0.1 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from matplotlib>=1.5->pymatgen) (1.3.1)
    Requirement already satisfied: python-dateutil>=2.7 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from matplotlib>=1.5->pymatgen) (2.8.1)
    Requirement already satisfied: pillow>=6.2.0 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from matplotlib>=1.5->pymatgen) (8.3.1)
    Requirement already satisfied: cycler>=0.10 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from matplotlib>=1.5->pymatgen) (0.10.0)
    Requirement already satisfied: pyparsing>=2.2.1 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from matplotlib>=1.5->pymatgen) (2.4.7)
    Requirement already satisfied: six in /usr/local/envs/mp_env/lib/python3.9/site-packages (from cycler>=0.10->matplotlib>=1.5->pymatgen) (1.16.0)
    Requirement already satisfied: decorator<5,>=4.3 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from networkx>=2.2->pymatgen) (4.4.2)
    Requirement already satisfied: tenacity>=6.2.0 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from plotly>=4.5.0->pymatgen) (8.0.1)
    Requirement already satisfied: ruamel.yaml.clib>=0.1.2 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from ruamel.yaml>=0.15.6->pymatgen) (0.2.6)
    Requirement already satisfied: future in /usr/local/envs/mp_env/lib/python3.9/site-packages (from uncertainties>=3.1.4->pymatgen) (0.18.2)
    Requirement already satisfied: pytz>=2017.3 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from pandas->pymatgen) (2021.1)
    Requirement already satisfied: charset-normalizer~=2.0.0 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from requests->pymatgen) (2.0.1)
    Requirement already satisfied: certifi>=2017.4.17 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from requests->pymatgen) (2021.5.30)
    Requirement already satisfied: idna<4,>=2.5 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from requests->pymatgen) (3.2)
    Requirement already satisfied: urllib3<1.27,>=1.21.1 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from requests->pymatgen) (1.26.6)
    Requirement already satisfied: mpmath>=0.19 in /usr/local/envs/mp_env/lib/python3.9/site-packages (from sympy->pymatgen) (1.2.1)

    WARNING: Running pip as the 'root' user can result in broken permissions and conflicting behaviour with the system package manager. It is recommended to use a virtual environment instead: https://pip.pypa.io/warnings/venv

# Activate the conda environment

```python
# activate your conda environment
%%bash
source /usr/local/etc/profile.d/conda.sh
conda activate mp_env
python

# python commands are ready to run within your environment
import sys
print("Python version")
print (sys.version)
print(sys.path)
from pymatgen.core import Composition
c = Composition('LiSi')
print(c)
```

    Python version
    3.9.5 (default, Jun  4 2021, 12:28:51)
    [GCC 7.5.0]
    ['', '/env/python', '/usr/local/envs/mp_env/lib/python39.zip', '/usr/local/envs/mp_env/lib/python3.9', '/usr/local/envs/mp_env/lib/python3.9/lib-dynload', '/usr/local/envs/mp_env/lib/python3.9/site-packages']
    Li1 Si1

# Make Environment using Virtual Env (venv)

```bash
%%bash
rm -r /usr/local/envs/
```

    rm: cannot remove '/usr/local/envs/': No such file or directory

```bash
%%bash
mkdir /usr/local/envs/
mkdir /usr/local/envs/mp_env
python3 -m venv /usr/local/envs/mp_env
```

    Error: Command '['/usr/local/envs/mp_env/bin/python3', '-Im', 'ensurepip', '--upgrade', '--default-pip']' returned non-zero exit status 1.

```python
!ls -lh /usr/local
```

    total 68K
    drwxr-xr-x  1 root root 4.0K Jul 12 13:18 bin
    lrwxrwxrwx  1 root root    9 Jul  1 13:35 cuda -> cuda-11.0
    drwxr-xr-x 16 root root 4.0K Jul  1 13:30 cuda-10.0
    drwxr-xr-x 15 root root 4.0K Jul  1 13:32 cuda-10.1
    drwxr-xr-x  1 root root 4.0K Jul  1 13:34 cuda-11.0
    drwxr-xr-x  1 root root 4.0K Jul  7 13:19 etc
    drwxr-xr-x  2 root root 4.0K Sep 21  2020 games
    drwxr-xr-x  2 root root 4.0K Jul  7 13:32 _gcs_config_ops.so
    drwxr-xr-x  1 root root 4.0K Jul  7 13:40 include
    drwxr-xr-x  1 root root 4.0K Jul  7 13:40 lib
    -rw-r--r--  1 root root 1.6K Jul  7 13:34 LICENSE.txt
    drwxr-xr-x  3 root root 4.0K Jul  7 13:31 licensing
    lrwxrwxrwx  1 root root    9 Sep 21  2020 man -> share/man
    drwxr-xr-x  2 root root 4.0K Sep 21  2020 sbin
    -rw-r--r--  1 root root 7.2K Jul  7 13:34 setup.cfg
    drwxr-xr-x  1 root root 4.0K Jul  7 13:31 share
    drwxr-xr-x  2 root root 4.0K Sep 21  2020 src
    drwxr-xr-x  2 root root 4.0K Jul  7 13:42 xgboost