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Adding doc
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mikibonacci committed Jan 28, 2025
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29 changes: 28 additions & 1 deletion docs/gallery/autogen/how_to.py
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# from aiida_pythonjob.utils import create_conda_env
# # create a conda environment on remote computer
# create_conda_env(
# "merlin6", # Remote computer
# "merlin6", # Remote computer, already stored in the AiiDA database
# "test_pythonjob", # Name of the conda environment
# modules=["anaconda"], # Modules to load (e.g., Anaconda)
# pip=["numpy", "matplotlib"], # Python packages to install via pip
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# )
#
#
# If you don't have conda installed on the remote computer, or you can use Anaconda for license reasons,
# you can run the `create_conda_env` function
# with the `install_conda` parameter set to `True`. This will install conda on the remote computer via the
# miniforge installer. You can find more information about Miniforge and download the installer from the
# official [Miniforge GitHub repository](https://github.com/conda-forge/miniforge). The `conda` dictionary
# can be used to specify the desired conda environment path, adding a new key "path": "/path/to/conda"`.,
# e.g.:
#
# .. code-block:: python
#
# from aiida_pythonjob.utils import create_conda_env
# # create a conda environment on remote computer
# create_conda_env(
# "merlin6", # Remote computer, already stored in the AiiDA database
# "test_pythonjob", # Name of the conda environment
# modules=["anaconda"], # Modules to load (e.g., Anaconda)
# pip=["numpy", "matplotlib"], # Python packages to install via pip
# conda={ # Conda-specific settings
# "channels": ["conda-forge"], # Channels to use
# "dependencies": ["qe"] # Conda packages to install
# "path": "$HOME/miniforge3/" # path to the (new) conda installation
# },
# )
#
#
# By default, the conda path will be set to `$HOME/miniforge3/`, if the `path` key is not provided.
#

######################################################################
# Default outputs
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