mirror of https://github.com/abinit/abipy.git
Make ipython and chart-studio hard deps
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@ -8,8 +8,13 @@
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#jupyter trust index.ipynb
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# Install AbiPy scripts and configuration files.
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python setup.py install
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#python setup.py install
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mkdir -p ${HOME}/.abinit/abipy
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cp abipy/data/managers/travis_scheduler.yml ${HOME}/.abinit/abipy/scheduler.yml
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cp abipy/data/managers/travis_manager.yml ${HOME}/.abinit/abipy/manager.yml
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cd ${HOME}/.abinit/abipy
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curl https://raw.githubusercontent.com/abinit/abipy/develop/abipy/data/managers/travis_scheduler.yml -o scheduler.yml
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curl https://raw.githubusercontent.com/abinit/abipy/develop/abipy/data/managers/travis_manager.yml -o manager.yml
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#cp abipy/data/managers/travis_scheduler.yml ${HOME}/.abinit/abipy/scheduler.yml
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#cp abipy/data/managers/travis_manager.yml ${HOME}/.abinit/abipy/manager.yml
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#./dev_scripts/pyclean.py .
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@ -168,6 +168,7 @@ sphinx_gallery_conf = {
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'repo': 'abipy',
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# Can be any branch, tag, or commit hash. Use a branch that hosts your docs.
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'branch': 'gh-pages',
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#'ref': 'gh-pages',
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# Any URL of a binderhub deployment. Must be full URL (e.g. https://mybinder.org).
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'binderhub_url': 'https://mybinder.org',
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# A list of paths (relative to conf.py) to dependency files that Binder uses to infer
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@ -55,8 +55,8 @@ Basic Usage
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-----------
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Several AbiPy objects provide a ``get_panel`` method returning
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an object that can be displayed inside the jupyter notebook or inside a Bokeh server.
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When running inside a jupyter notebook, remember enable the integration
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an object that can be displayed inside the jupyter notebook or inside the browser.
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When running inside a jupyter notebook, remember enable the integration
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with the ``panel`` infrastructure by executing:
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.. jupyter-execute::
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@ -94,7 +94,7 @@ with the `GsrFile`:
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gsr.get_panel()
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The **summary** tab provides a string representation of the file
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but there is not widget to interact with it.
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but there is no widget to interact with it.
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If you select the **e-Bands** tab, you will see several widgets and a button
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that activates the visualization of the KS band energies.
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Again, in this HTML page there is no python server running in background so
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@ -105,7 +105,7 @@ the panel GUIs with python code that can be used to perform
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more advanced tasks not supported by the GUI.
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Obviously it is possible to have multiple panels running in the same notebook.
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Calling ``get_structure`` with an AbiPy structure, for instance, creates a set of widgets
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Calling ``get_panel`` with an AbiPy structure, for instance, creates a set of widgets
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to facilitate common operations such as exporting the structure to a different format or
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generating a basic Abinit input file for e.g. GS calculations:
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@ -153,7 +153,7 @@ The same result can be obtained from the CLI with
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There are, however, cases in which you don't need the interactive environment provided
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by jupyter notebooks as you are mainly interested in the visualization of the results.
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In this case, it is possible to use the command line interface to automatically generate
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a dashboard with widgets without having to start a jupyter-lab application.
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a dashboard with widgets without having to start a notebook.
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To build a dashboard for a ``Structure`` object extracted from ``FILE``, use::
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@ -164,7 +164,6 @@ e.g. netcdf files, cif files, abi, abo files etc.
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To build a dashboard associated to one of the AbiPy file, use the syntax::
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abiopen.py FILE --panel
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where ``FILE`` is one of the Abinit files supported by ``abiopen.py``.
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@ -16,3 +16,5 @@ netCDF4
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matplotlib
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seaborn
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plotly
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ipython
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chart-studio
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