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simplify and update the conda binary installation instructions
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documentation/source/users/rmg/installation/anacondaUser.rst

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@@ -5,39 +5,41 @@ Binary Installation Using Anaconda for Unix-Based Systems: Linux and Mac OSX
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#. Install the `conda` package manager, if you do not already have it (or Anaconda).
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Select one of the following options:
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#. Install the ``conda`` package manager via `Miniconda <https://docs.anaconda.com/free/miniconda/miniconda-install/>`_.
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a. Users of Fedora Linux and Red Hat derivatives (RHEL, CentOS Stream) may install from the official repositories and EPEL, respectively, with the command ::
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#. Create and activate a new ``conda`` environment::
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sudo dnf install conda
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conda create --name rmg_env python=3.7
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conda activate rmg_env
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b. All other users, download and install `Miniconda <https://docs.conda.io/en/latest/miniconda.html>`_.
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#. Install the core RMG Python package::
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The download will be a .sh file with a name like ``Miniconda3-latest-Linux-x86_64.sh``.
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Open a terminal in the same directory as this file, and type the following to install Conda
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(replace the name of your .sh file below). ::
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conda install rmg --channel rmg
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bash Miniconda3-latest-Linux-x86_64.sh
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#. Install RMS::
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**When prompted to append Anaconda to your PATH, select or type Yes**.
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Install the Conda folder inside your home directory
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(typically ``/home/YourUsername/`` in Linux and ``/Users/YourUsername`` in Mac).
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conda install julia=1.9.1 pyjulia>=0.6 --channel conda-forge
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conda install pyrms diffeqpy --channel rmg
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python -c "import julia; julia.install(); import diffeqpy; diffeqpy.install()"
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julia -e 'using Pkg; Pkg.add(PackageSpec(name="ReactionMechanismSimulator",rev="main")); using ReactionMechanismSimulator'
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Note that you should reinitialize or restart your terminal in order for the changes to take effect, as the installer will tell you.
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.. NOTE::
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Arkane and RMG can both be run without installing RMS, though with a reduced feature set.
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Arkane will use the slower ``scipy`` solvers instead of ``diffeqpy`` when solving the master equation
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and RMG will lose some advanced reactor types and the sensitivity analysis feature.
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#. Install both RMG and the RMG-database binaries through the terminal. Dependencies will be installed automatically. It is safest to make a new conda environment for RMG and its dependencies. Type the following command into the terminal to create the new environment named 'rmg_env' containing the latest stable version of the RMG program and its database. ::
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#. You may now run an RMG test job. Save the `Minimal Example Input File <https://raw.githubusercontent.com/ReactionMechanismGenerator/RMG-Py/master/examples/rmg/minimal/input.py>`_
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to a local directory. Use the terminal to run your RMG job inside that folder using the following command ::
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conda create -c defaults -c rmg -c rdkit -c cantera -c pytorch -c conda-forge --name rmg_env rmg rmgdatabase
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rmg.py input.py
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Whenever you wish to use it you must first activate the environment::
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To run models requiring RMS, prefix the command with ``python-jl``::
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conda activate rmg_env
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python-jl rmg.py input.py
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#. You may now run an RMG test job. Save the `Minimal Example Input File <https://raw.githubusercontent.com/ReactionMechanismGenerator/RMG-Py/master/examples/rmg/minimal/input.py>`_
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to a local directory. Use the terminal to run your RMG job inside that folder using the following command ::
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Whenever you wish to use RMG you must first activate the environment::
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rmg.py input.py
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conda activate rmg_env
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If you encounter the ImportError related to ``libmkl_rt.so.2``, refer to the :ref:`Fixing the ImportError related to libmkl_rt.so.2 <fixImportError>`
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section below to fix the error and re-run the RMG test job.
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Updating your binary installation of RMG in Linux or Mac OSX
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============================================================
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If you had previously installed a binary version of the RMG package, you may
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If you had previously installed a binary version of the RMG package you may
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check and update your installation to the latest stable version available on Anaconda by typing the following command on the terminal ::
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source activate rmg_env
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conda update rmg rmgdatabase -c rmg
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conda activate rmg_env
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conda update rmg --channel rmg

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