@@ -903,10 +903,9 @@ Parallel parameter scans
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When performing large multi-dimensional parameter scans, PySCeS has the option
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to perform the computation in parallel, either on a single machine with a
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multi-core CPU, or on a multi-node cluster. This requires a working
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- `ipyparallel `_ installation. The functionality is accessed via the
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- ``pysces.ParScanner `` class, which has the same methods as the
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- ``pysces.Scanner `` class (see above) with a few multiprocessing-specific
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- additions.
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+ `ipyparallel `_ installation (see also :ref: `Installation `). The functionality is accessed
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+ via the ``pysces.ParScanner `` class, which has the same methods as the ``pysces.Scanner ``
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+ class (see above) with a few multiprocessing-specific additions.
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The parallel scanner class is instantiated with a loaded PySCeS model object: ::
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@@ -1260,6 +1259,9 @@ the following packages/modules are also installed:
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- *Assimulo * to enable CVODE support. This can be installed on Anaconda via the
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*conda-forge * channel, or compiled from source
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(https://jmodelica.org/assimulo).
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+
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+ - *ipyparallel * for parallel parameter scans (see
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+ https://ipyparallel.readthedocs.io/)
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- *pysces_metatool * (available via https://github.com/PySCeS/pysces-metatool)
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to add elementary mode analysis support to PySCeS.
@@ -1269,6 +1271,7 @@ non-linear solver. This software is distributed under its own
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non-commercial licence. Please see https://github.com/PySCeS/pysces
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for details.
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+ .. _Installation :
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Installation
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------------
@@ -1278,13 +1281,30 @@ provided. Anaconda users can conveniently install PySCeS with: ::
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$ conda install -c conda-forge -c pysces pysces
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- Any dependencies will be installed automatically.
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+ Any dependencies will be installed automatically, including the optional dependencies
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+ *Assimulo *, *ipyparallel * and *libSBML *.
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- Alternatively, you can use *pip * to install PySCeS from PyPI. Again,
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+ Alternatively, you can use *pip * to install PySCeS from PyPI. Core
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dependencies will be installed automatically. ::
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$ pip install pysces
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+ To install the optional dependences:
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+
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+ - ``pip install "pysces[parscan]" `` - for *ipyparallel *
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+ - ``pip install "pysces[sbml]" `` - for *libSBML *
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+ - ``pip install "pysces[cvode]" `` - for *Assimulo *
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+ - ``pip install "pysces[all]" `` - for all of the above
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+
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+ .. note ::
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+
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+ Installation of *Assimulo * via ``pip `` may well require C and Fortran compilers to be
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+ properly set up on your system, as binary packages are only provided for a
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+ very limited number of Python versions and operating systems on PyPI.
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+ **This is not guaranteed to work! ** If you require Assimulo, the conda
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+ install is by far the easier option as up-to-date binaries are supplied
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+ for all OS and recent Python versions.
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+
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Compilation from source
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-----------------------
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