On O2, we encourage cluster users to install the packages and software they need. One method to install packages and manage environments is to use conda, which is available through the conda2/4.2.13 or miniconda3/4.10.3 module. Conda manages dependencies by default when you install packages, which can make it easier to install software. Packages that can be installed with conda include Python modules, libraries, or executable programs.
Commonly used commands, examples
module spider conda
shows the versions of conda installed on O2
module load miniconda3/version
loads an individual conda module
(replace version with an actual version)
conda info --envs
see available conda environments
conda create -n test_env
create conda environment named test_env
(name the environment whatever you'd like)
conda create -n aligners_env bwa bowtie star
create conda environment, and install some packages (bwa, bowtie, and star) on the fly
source activate test_env
"activate" a conda environment named test_env
exit current conda environment
conda-env remove -n test_env
delete a conda environment named test_env
conda search numpy
search for a package
(replace numpy with the package of your choice)
conda install numpy
install a package, and must be within a conda environment or this command will fail.
(replace numpy with the package of your choice)
To install packages on O2 using conda, you must first create a conda environment. Environments are simply directories in ~/.conda/envs/ that contain packages you installed. You "source" an environment to use those packages, and can "deactivate" to exit the environment. You can have multiple environments, and can switch between them.
First let's get into an interactive session, as installing conda packages is resource intensive and should not be done on the login nodes.
mfk8@compute-a-01-01:~$ which conda
Running conda info will return information about the current conda installation:
mfk8@compute-a-01-01:~$ conda info
You can see available conda environments with conda info --envs. If you have not created any conda environments yet, the only listing you will see is the root environment in /n/app/conda2. Cluster users do not have access to alter this.
mfk8@compute-a-01-01:~$ conda info --envs
You can create your own environment to install packages to. You can change the environment name (specified after -n):
As you just exited the environment, any packages installed to that environment will not be able to be used now.
You can create as many conda environments as you need. Environments are independent (changing one environment won't affect another). They can be used for different analyses, or perhaps if you need more than one version of the same tool. You can run conda info --envs to list all of your conda environments.
To search for available versions of a package that can be installed, use conda search:
With your conda environment activate, you can install a package with conda install. Conda will handle dependencies by default. Make sure that you do not install conda packages when on a login node. Only install packages when you have requested dedicated resources beforehand (i.e. you are on a compute node and in a interactive job).
mfk8@login01:~$ srun --pty -p interactive -t 0-2 bash
mfk8@compute-a-01-01:~$ module load miniconda3/4.10.3
mfk8@compute-a-01-01:~$ module list
Currently Loaded Modules:
1) miniconda3/4.10.3 (E)
mfk8@compute-a-01-01:~$ conda create -n my_env
mfk8@compute-a-01-01:~$ source activate my_env
# install example python package, scipy, which is available through conda:
(my_env) mfk8@compute-a-01-01:~$ conda install scipy
# see list of packages available in this conda environment:
(my_env) mfk8@compute-a-01-01:~$ conda list
# will report scipy in the list
# test importing scipy in python to verify it is installed correctly
(my_env) mfk8@compute-a-01-01:~$ python -c "import scipy"
# exit environment
(my_env) mfk8@compute-a-01-01:~$ source deactivate
The centralized conda installation, available through the conda modules, includes several channels that we support. Channels are repositories where conda looks for packages. This is done with a centralized .condarc file that contains:
The order here matters, as conda will pull packages from channels based upon the channel "priority". For example, the channel listed first in .condarc has the highest priority, and the channel listed last has the lowest priority. This means that if the package you want to install is found in multiple channels in your .condarc, conda will default to installing the version found in the highest priority channel. See here in the conda documentation for more information on channel management.
Conda-forge is a repository of recipes, which are used to build conda packages. The defaults channel is necessary for several dependencies, including conda and conda-build. The r channel contains common R packages, some of which are dependencies for bioconda packages. Bioconda is a channel geared for bioinformatics packages.
If you wish, you can still maintain your own ~/.condarc file, but we may be unable to assist when using unsupported channels.