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MANIFEST.in

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include tests/data/MTBLS79_subset/*.*
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include tests/data/MTBLS79_subset/mzml/*.*
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include tests/data/MTBLS79_subset/raw/*.*
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include tests/data/test_results/*.*
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include tests/test_results/*.*
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include dimspy/portals/ThermoRawFileReader_3_0_41/Libraries/*.XML
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include dimspy/portals/ThermoRawFileReader_3_0_41/Libraries/*.dll
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include dimspy/portals/ThermoRawFileReader_3_0_41/License/RawFileRdr_License_Agreement_RevA.doc

README.rst

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======
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|Version| |Py versions| |Git| |Bioconda| |Build Status (Travis)| |Build Status (AppVeyor)| |License| |RTD doc|
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DIMSpy is a Python Package to process Direct-Infusion Mass Spectrometry (DIMS) data
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Python package to process direct-infusion mass spectrometry-based metabolomics and lipidomics data
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- **Documentation:** https://computational-metabolomics.github.io/dimspy
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- **Source:** https://github.com/computational-metabolomics/dimspy
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- **Bug reports:** https://github.com/computational-metabolomics/dimspy/issues
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Installation
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--------
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------------
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See the `Installation page <https://computational-metabolomics.github.io/dimspy/introduction.html#installation>`__ of
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the `online documentation <https://computational-metabolomics.github.io/dimspy/>`__.
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Conda_
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~~~~~~~
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1. Install Conda_ (For example: `Miniconda Python distribution <http://conda.pydata.org/miniconda.html>`__).
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2. Run the following commands to install DIMSpy.
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Linux-64 and OSx
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::
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$ conda create -n dimspy python=2.7 numpy=1.13.0 scipy=0.19.1 pymzml=0.7.8 pythonnet=2.3.0 h5py=2.7.0 fastcluster=1.1.23 -c conda-forge -c bioconda
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$ source activate dimspy
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$ pip install git+https://github.com/computational-metabolomics/dimspy.git
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Windows-64
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::
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$ conda create -n dimspy python=2.7 numpy=1.13.0 scipy=0.19.1 fastcluster=1.1.23 h5py==2.7.0 -c conda-forge -c bioconda
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$ activate dimspy
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$ pip install pythonnet==2.3.0 pymzml==0.7.8
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$ pip install git+https://github.com/computational-metabolomics/dimspy.git
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Usage
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------
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Command line
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~~~~~~~~~~~~~
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------------
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::
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$ python -m dimspy --help
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$ dimspy --help
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Bugs
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----
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Please report any bugs that you find `here <https://github.com/computational-metabolomics/dimspy/issues>`_.
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Or fork the repository on `GitHub <https://github.com/computational-metabolomics/dimspy/>`_
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and create a pull request (PR). We welcome all contributions, and we
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will help you to make the PR if you are new to `git` (see `CONTRIBUTING.rst`).
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Developers & Contributors
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-------------------------
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- Ralf J. M. Weber ([email protected]) - [University of Birmingham (UK)](http://www.birmingham.ac.uk/index.aspx)
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- Jiarui (Albert) Zhou ([email protected]) - [University of Birmingham (UK)](http://www.birmingham.ac.uk/index.aspx)
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- Thomas N. Lawson ([email protected]) - [University of Birmingham (UK)](http://www.birmingham.ac.uk/index.aspx)
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License
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-------
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Released under the GNU General Public License v3.0 (see `LICENSE` file)::
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Copyright (C) 2017 DIMSpy Developers
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  Ralf J.M. Weber <[email protected]>
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Jiarui (Albert) Zhou <[email protected] >
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.. |Build Status (Travis)| image:: https://img.shields.io/travis/computational-metabolomics/dimspy.svg?style=flat&maxAge=3600&label=Travis-CI
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:target: https://travis-ci.org/computational-metabolomics/dimspy
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.. |Build Status (AppVeyor)| image:: https://img.shields.io/appveyor/ci/RJMW/dimspy.svg?style=flat&maxAge=3600&label=AppVeyor
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:target: https://ci.appveyor.com/project/RJMW/dimspy/branch/master
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.. |Py versions| image:: https://img.shields.io/pypi/pyversions/dimspy.svg?style=flat&maxAge=3600
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:target: https://pypi.python.org/pypi/dimspy/
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.. |RTD doc| image:: https://img.shields.io/badge/documentation-RTD-71B360.svg?style=flat&maxAge=3600
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:target: https://computational-metabolomics.github.io/dimspy/
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.. _pip: https://pip.pypa.io/
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.. _Conda: http://conda.pydata.org/docs/

setup.py

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import setuptools
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import sys
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import dimspy
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import os
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import unittest
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def main():
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setuptools.setup(name="dimspy",
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version=dimspy.__version__,
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description="Python package to process DIMS data",
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description="Python package for data processing of direct-infusion mass spectrometry-based metabolomics and lipidomics data",
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long_description=open('README.rst').read(),
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author="Ralf Weber, Albert Zhou",
2018
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url="https://github.com/computational-metabolomics/dimspy",
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license="GPLv3",
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platforms=['Windows, UNIX'],
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keywords=['Metabolomics', 'Mass spectrometry', 'Data Processing', 'Direct-Infusion Mass Spectrometry'],
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keywords=['Metabolomics', 'Lipidomics', 'Mass spectrometry', 'Data Processing', 'Direct-Infusion Mass Spectrometry'],
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packages=setuptools.find_packages(),
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test_suite='tests.suite',
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install_requires=open('requirements.txt').read().splitlines(),

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