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docs/hpc/06_tools_and_software/02_conda_environments.md

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@@ -23,14 +23,14 @@ One of the ways to ensure the reproducibility of your results is to have an inde
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## Advantages/disadvantages of using Conda
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### Advantages
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- A lot of pre-compiled packages (fast and easy to install)
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- Note for Python: pip also offers pre-compiled packages (wheels). List can be found here https://pythonwheels.com. However, Conda has a significantly larger number of pre-compiled packages.
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- Compiled packages use highly efficient Intel Math Kernel Library (MKL) library
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- A lot of pre-compiled packages (fast and easy to install)
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- Note for Python: pip also offers pre-compiled packages (wheels). List can be found here https://pythonwheels.com. However, Conda has a significantly larger number of pre-compiled packages.
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- Compiled packages use highly efficient Intel Math Kernel Library (MKL) library
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### Disadvantages
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- Conda does not take advantage of packages already installed in the system (while [virtualenv and venv](./03_python_packages_with_virtual_environments.md) do)
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- As you will see below, you may need to do additional steps to keep track of all installed packages (including those installed by pip and/or install.packages)
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- Conda does not take advantage of packages already installed in the system (while [virtualenv and venv](./03_python_packages_with_virtual_environments.md) do)
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- As you will see below, you may need to do additional steps to keep track of all installed packages (including those installed by pip and/or install.packages)
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## Initializing Conda
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Load anaconda module
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Thus you can consider the following options
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- Reinstall your packages if some of the files get deleted
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- You can do this manually
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- You can do this automatically. For example, within a workflow of a pipeline software like [Nextflow](https://www.nextflow.io/)
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- Pay for "Research Project Space" - read more [here](../03_storage/05_research_project_space.md)
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- Use Singularity and install packages within a corresponding overlay file - read more [here](../07_containers/03_singularity_with_conda.md)
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- Reinstall your packages if some of the files get deleted
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- You can do this manually
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- You can do this automatically. For example, within a workflow of a pipeline software like [Nextflow](https://www.nextflow.io/)
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- Pay for "Research Project Space" - read more [here](../03_storage/05_research_project_space.md)
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- Use Singularity and install packages within a corresponding overlay file - read more [here](../07_containers/03_singularity_with_conda.md)
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## Python
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Conda + pakcrat: specific version of R and install.packages (R)
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- use conda to install version of R you need
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- do not use 'conda install' at all
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- use renv
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- install all the packages using install.packages
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- use [renv as described here](../09_ood/r_packages_with_renv.md) to keep track of the environment
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- use conda to install version of R you need
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- do not use 'conda install' at all
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- use renv
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- install all the packages using install.packages
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- use [renv as described here](../09_ood/r_packages_with_renv.md) to keep track of the environment
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In order for conda + renv to work, you need to add following steps:
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- After you activate conda AND before loading R
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- After you activate conda AND before loading R
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```sh
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export R_RENV_DEFAULT_LIBPATHS=<path_to_project_directory>/renv/lib/x86_64-conda_cos6-linux-gnu/<version>/
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```
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- Start R and execute
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- Start R and execute
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```sh
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.libPaths(c(.libPaths(), Sys.getenv("R_RENV_SYSTEM_LIBRARY")))
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```

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