====== Anaconda on Caviness ======

<code bash>
$ vpkg_versions anaconda

Available versions in package (* = default version):

[/opt/shared/valet/2.1/etc/anaconda.vpkg_yaml]
anaconda         Open Enterprise Python
* 5.2.0:python2  Anaconda Python2
  5.2.0:python3  Anaconda Python3
  2020.07        Anaconda Python3 (Python 2 deprecated)
  2022.05        Anaconda Python3 (Python 2 deprecated)
  2023.03        Anaconda Python3 (Python 2 deprecated)
  2024.02        Anaconda Python3 (Python 2 deprecated)
</code>

See [[software:anaconda:caviness#Recipes|Recipes]] for examples of building virtual environments for specific packages.
===== Virtual Environment ====

If you are going to follow the instructions for creating an Anaconda virtual environment on Caviness consider using a slight modification to the documentation provided by each software package and use VALET to load the proper version of Anaconda for Python 2 or Python 3, specify a path in your home (''$HOME'') or workgroup (''$WORKDIR'') directory not in the system path for Anaconda, and also ignore the warnings to update ''conda'' as it is building your virtual environment.


See the example below which creates a virtual Anaconda environment based on Python 3 for FEniCS called ''fenicsproject'' in the ''traine'' home directory and installs all the fenics packages and mshr. Once the environment is created, then a simple interactive test is done on a compute node via the ''devel'' partition to verify the new ''fenicsproject'' Anaconda environment is working properly. 

<code>
[traine@login00 ~]$ vpkg_devrequire anaconda/2024.02
Adding package `anaconda/2024.02` to your environment
[traine@login00 ~]$ conda create -p ~/fenicsproject -c conda-forge fenics fenics-dijitso fenics-dolfin fenics-ffc fenics-fiat fenics-libdolfin fenics-ufl mshr
Solving environment: done

## Package Plan ##

  environment location: /home/1201/fenicsproject

  added / updated specs:
    - fenics
    - fenics-dijitso
    - fenics-dolfin
    - fenics-ffc
    - fenics-fiat
    - fenics-libdolfin
    - fenics-ufl
    - mshr


The following packages will be downloaded:
...
...
...
Proceed ([y]/n)? y

Preparing transaction: done
Verifying transaction: done
Executing transaction: done
...
...
...
#
# To activate this environment, use:
# > conda activate /home/1201/fenicsproject
#
# To deactivate an active environment, use:
# > conda deactivate
#

[traine@login00 ~]$ workgroup -g it_css
[(it_css:traine)@login00 ~]$ salloc --partition=devel
salloc: Pending job allocation 28214017
salloc: job 28214017 queued and waiting for resources
salloc: job 28214017 has been allocated resources
salloc: Granted job allocation 28214017
salloc: Waiting for resource configuration
salloc: Nodes r00n56 are ready for job
[traine@r00n56 ~]$ vpkg_devrequire anaconda/2024.02
Adding package `anaconda/2024.02` to your environment
[traine@r00n56 ~]$ conda activate ~/fenicsproject
(/home/1201/fenicsproject) [traine@r00n56 ~]$ python3 -c "import mshr"
(/home/1201/fenicsproject) [traine@r00n56 ~]$ conda deactivate
[traine@r00n56 ~]$ exit
logout
salloc: Relinquishing job allocation 28214017
[(it_css:traine)@login00 ~]$
</code>

===== Recipes ====

Examples documented as recipes to be used for specific installations including using a ''workgroup'' directory as well as creating VALET packages for these environments and job scripts setup for batch runs, but can also perhaps help others in solving similar installation dilemmas.

  * [[technical:recipes:pyqt5-in-virtualenv|Building PyQt5 in a Python Virtual Environment]]
  * [[technical:recipes:jupyter-notebook|Building a Jupyter Notebook Python Virtual Environment]]
  * [[technical:recipes:keras-in-virtualenv|Keras Python Virtual Environment]]
  * Gurobi Python Virtual Environments
    * [[software:gurobi:caviness#serial-or-threaded-python-environment|Gurobi Python Threaded and Serial]]
    * [[software:gurobi:caviness#mpi-python-environment|Gurobi Python MPI]]
  * [[technical:recipes:emcee-in-virtualenv|Python Virtualenv: emcee and pyKLIP]]
  * [[technical:recipes:mpi4py-in-virtualenv|Building Python Virtual Environments with mpi4py]]
  * [[technical:recipes:tensorflow-in-virtualenv|Building a TensorFlow Python Virtual Environment]]
  * [[technical:recipes:openmm|Building an OpenMM Python Virtual Environment]]