<commit_before><div align="left">
  <img src="https://github.com/sunqm/pyscf/blob/master/doc/logo/pyscf-logo.png" height="80px"/>
</div>

Python-based Simulations of Chemistry Framework
===============================================

2017-04-25

* [Stable release 1.3](https://github.com/sunqm/pyscf/releases/tag/v1.3)
* [Changelog](../master/CHANGELOG)
* [Documentation](http://www.pyscf.org) ([PDF](http://www.sunqm.net/pyscf/files/pdf/PySCF-1.1.pdf))
* [Installation](#installation)
* [Features](../master/FEATURES)


Installation
------------

* Prerequisites
    - Cmake 2.8 or higher
    - Python 2.6, 2.7, 3.2, 3.3, 3.4
    - Numpy 1.8.0 or higher
    - Scipy 0.10 or higher (0.12.0 or higher for python 3.3, 3.4)
    - h5py 2.3.0 or higher (requires HDF5 1.8.4 or higher)

* Compile core module

        cd lib
        mkdir build; cd build
        cmake ..
        make

* To make python be able to find pyscf, edit environment variable
  `PYTHONPATH`, e.g.  if pyscf is installed in /opt/pyscf

        export PYTHONPATH=/opt/pyscf:$PYTHONPATH<commit_msg>Add release notes in README<commit_after><div align="left">
  <img src="https://github.com/sunqm/pyscf/blob/master/doc/logo/pyscf-logo.png" height="80px"/>
</div>

Python-based Simulations of Chemistry Framework
===============================================

2017-04-25

* [Stable release 1.3](https://github.com/sunqm/pyscf/releases/tag/v1.3) ([Release notes](https://github.com/sunqm/pyscf/blob/master/doc/whatsnew/1.3.rst))
* [Changelog](../master/CHANGELOG)
* [Documentation](http://www.pyscf.org) ([PDF](http://www.sunqm.net/pyscf/files/pdf/PySCF-1.1.pdf))
* [Installation](#installation)
* [Features](../master/FEATURES)


Installation
------------

* Prerequisites
    - Cmake 2.8 or higher
    - Python 2.6, 2.7, 3.2, 3.3, 3.4
    - Numpy 1.8.0 or higher
    - Scipy 0.10 or higher (0.12.0 or higher for python 3.3, 3.4)
    - h5py 2.3.0 or higher (requires HDF5 1.8.4 or higher)

* Compile core module

        cd lib
        mkdir build; cd build
        cmake ..
        make

* To make python be able to find pyscf, edit environment variable
  `PYTHONPATH`, e.g.  if pyscf is installed in /opt/pyscf

        export PYTHONPATH=/opt/pyscf:$PYTHONPATH
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