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Copy file name to clipboardExpand all lines: docs/_sources/developer_installation.rst.txt
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@@ -26,7 +26,9 @@ Note that if you previously installed atomate using another tool (e.g., pip or c
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The steps for installing pymatgen and atomate in development mode are below.
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1. Create a ``codes`` directory in ``<<INSTALL_DIR>>``
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1. Note: you should have activated your virtual environment or conda environment before proceeding.
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#. Create a ``codes`` directory in ``<<INSTALL_DIR>>``
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#. ``cd`` to your newly created ``<<INSTALL_DIR>>/codes`` directory.
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Post-installation
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=================
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Run unit tests
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--------------
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Basic confirmation of installation
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----------------------------------
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Open up a Python shell using the command ``python``. Confirm that the commands ``import pymatgen`` and ``import atomate`` execute without any issues / errors. Remember that you will need to still be in your virtual environment!
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(optional) Run unit tests
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-------------------------
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Every time you make changes to atomate, you should rerun the unit tests to make sure everything is still working.
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If you make changes to atomate, it is a good idea to rerun the unit tests to make sure everything is still working.
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The ``db.json`` and ``my_launchpad.yaml`` in the ``<<INSTALL_DIR>>/codes/atomate/atomate/common/test_files`` directory control the database to use for the unit tests. The default is to use a MongoDB running on localhost. You can update these to whatever you like, e.g. a MongoDB instance in the cloud that you use for tests.
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.. warning:: Although you can re-use the same Mongo host and port as your production installation for tests, do **not** also use the same database as your production runs! This is why the default configuration uses a database name with ``_unittest`` - so that it won't conflict with any production database. The database and LaunchPad you use in the unit tests **WILL** be reset frequently. **DO NOT USE YOUR PRODUCTION DATABASES FOR TESTING** or you will lose everything!
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Many tests have a DEBUG option that can sometimes help in finding problems.
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Sometimes you need to toggle DEBUG on/off a couple of times if you are doing this to make sure all the old data is actually cleared between debug runs.
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Run the tests by navigating to ``<<INSTALL_DIR>>/codes/atomate/`` and running ``python setup.py test`` or ``nosetests``.
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Run the tests by navigating to ``<<INSTALL_DIR>>/codes/atomate/`` and running ``python setup.py test`` or ``nosetests``.
Copy file name to clipboardExpand all lines: docs/_sources/installation.rst.txt
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#. Activate your environment by running ``source <<INSTALL_DIR>>/atomate_env/bin/activate``. This makes it so when you use the command ``python``, the version of ``python`` that you use will be the one in the ``bin`` directory rather than the system-wide Python. You can read the activation script if you are interested. It's just does a little magic to adjust your path to point towards the ``bin`` and other directories you created.
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#. Consider adding ``source <<INSTALL_DIR>>/atomate_env/bin/activate`` to your .rc file so that it is run whenever you log in. Otherwise, note that you must call this command after every log in before you can do work on your atomate project.
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#. Consider adding ``source <<INSTALL_DIR>>/atomate_env/bin/activate`` to your .rc or .bash_profile file so that it is run whenever you log in. Otherwise, note that you must call this command after every log in before you can do work on your atomate project.
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.. _Anaconda: https://www.continuum.io
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.. _documentation for the conda command line tool here: https://conda.io/docs/using/envs.html
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