Adding conda packages

To get latest versions of pandas-profiling:

dependencies:
  - pandas-profiling

This is equivalent to running conda install pandas-profiling in a notebook.

Adding pip packages

You can also customize an environment using pip if a particular package is not available in conda channels:

dependencies:
  - pip:
    - ibm-watson-machine-learning

This is equivalent to running pip install ibm-watson-machine-learning in a notebook.

The customization will actually do more than just install the specified pip package. The default behavior of conda is to also look for a new version of pip itself and then install it. Checking all the implicit dependencies in conda often takes several minutes and also gigabytes of memory. The following customization will shortcut the installation of pip:

channels:
  - empty
  - nodefaults

dependencies:
  - pip:
    - ibm-watson-machine-learning

The conda channel empty does not provide any packages. There is no pip package in particular. conda won't try to install pip and will use the already pre-installed version instead. Note that the keyword nodefaults in the list of channels needs at least one other channel in the list. Otherwise conda will silently ignore the keyword and use the default channels.

Combining conda and pip packages

You can list multiple packages with one package per line. A single customization can have both conda packages and pip packages.

dependencies:
  - pandas-profiling
  - scikit-learn=0.20
  - pip:
    - watson-machine-learning-client-V4
    - sklearn-pandas==1.8.0

Note that the required template notation is sensitive to leading spaces. Each item in the list of conda packages must have two leading spaces. Each item in the list of pip packages must have four leading spaces. The version of a conda package must be specified using a single equals symbol (=), while the version of a pip package must be added using two equals symbols (==).

Adding complex packages with internal dependencies

When you add many packages or a complex package with many internal dependencies, the conda installation might take long or might even stop without you seeing any error message. To avoid this from happening:

• Specify the versions of the packages you want to add. This reduces the search space for conda to resolve dependencies.
• Increase the memory size of the environment.
• Use a specific channel instead of the default conda channels that are defined in the .condarc file. This avoids running lengthy searches through big channels.

Example of a customization that doesn't use the default conda channels:

# get latest version of the prophet package from the conda-forge channel
channels:
  - conda-forge
  - nodefaults

dependencies:
  - prophet

This customization corresponds to the following command in a notebook:

!conda install -c conda-forge --override-channels prophet -y

Adding conda packages for R notebooks

The following example shows you how to create a customization that adds conda packages to use in an R notebook:

channels:
  - defaults

dependencies:
  - r-plotly

This customization corresponds to the following command in a notebook:

print(system("conda install r-plotly", intern=TRUE))

The names of R packages in conda generally start with the prefix r-. If you just use plotly in your customization, the installation would succeed but the Python package would be installed instead of the R package. If you then try to use the package in your R code as in library(plotly), this would return an error.

Setting environment variables

You can set environment variables in your environment by adding a variables section to the software customization template as shown in the following example:

variables:
  my_var: my_value
  HTTP_PROXY: https://myproxy:3128
  HTTPS_PROXY: https://myproxy:3128
  NO_PROXY: cluster.local

The example also shows that you can use the variables section to set a proxy server for an environment.

Limitation: You cannot override existing environment variables, for example LD_LIBRARY_PATH, using this approach.

Best practices

To avoid problems that can arise finding packages or resolving conflicting dependencies, start by installing the packages you need manually through a notebook in a test environment. This enables you to check interactively if packages can be installed without errors. After you have verified that the packages were all correctly installed, create a customization for your development or production environment and add the packages to the customization template.

Parent topic: Customizing environments