Commit dfeeca4a authored by peastman's avatar peastman
Browse files

Document cython as a dependency, and remove obsolete instructions

parent f2cf8884
......@@ -455,6 +455,7 @@ CMake.
* Python 2.7 or later (http://www.python.org)
* SWIG (http://www.swig.org)
* Doxygen (http://www.doxygen.org)
* Cython (https://cython.org)
* For compiling the CPU platform, you need:
......@@ -2555,69 +2556,6 @@ Python API
**********
Installing the Python API
=========================
There are currently two types of packages for installing the Python API. One
contains wrapper source code for Unix-type machines (including Linux and Mac
operating systems). You will need a C++ compiler to install it using this type
of package. The other type of installation package is a binary package which
contains compiled wrapper code for Windows machines (no compilers are needed to
install binary packages).
Installing on Windows
---------------------
OpenMM on Windows only works with Python 3.5, so make sure that version is
installed before you try installing. For Python installation packages and
instructions, go to http://python.org. We suggest that you install Python using
the default options.
Double click on the Python API Installer icon, located in the top level
directory for the OpenMM installation (by default, this is C:\Program
Files\OpenMM). This will install the OpenMM package into the Python
installation area. If you have more than one Python installation, you will be
asked which Python to use—make sure to select Python 3.5.
Installing on Linux and Mac
---------------------------
Make sure you have Python 2.7 or later installed. For Python installation
packages and instructions, go to http://python.org. If you do not have the
correct Python version, install a valid version using the default options. Most
versions of Linux and Mac OS X have a suitable Python preinstalled. You can
check by typing “\ :code:`python` |--|\ :code:`version`\ ” in a terminal window.
You must have a C++ compiler to install the OpenMM Python API. If you are using
a Mac, install Apple's Xcode development tools
(http://developer.apple.com/TOOLS/Xcode) to get the needed compiler. On other
Unix-type systems, install gcc or clang. We recommend clang, since it produces
faster code than gcc.
The install.sh script installs the Python API automatically as part of the
installation process, so you probably already have it installed. If for some
reason you need to install it manually, you can do that with the
:code:`setup.py` script included with OpenMM. Before executing this script,
you must set two environment variables: :code:`OPENMM_INCLUDE_PATH` must
point to the directory containing OpenMM header files, and
:code:`OPENMM_LIB_PATH` must point to the directory containing OpenMM library
files. Assuming OpenMM is installed in the default location
(\ :code:`/usr/local/openmm`\ ), you would type the following commands.
Note that if you are using the system Python (as opposed to a locally installed
version), you may need to use the :code:`sudo` command when running
:code:`python setup.py install`\ .
::
export OPENMM_INCLUDE_PATH=/usr/local/openmm/include
export OPENMM_LIB_PATH=/usr/local/openmm/lib
python setup.py build
python setup.py install
If you are compiling OpenMM from source, you can also install by building the
PythonInstall target:
:code:`make PythonInstall` OR :code:`sudo make PythonInstall`
Mapping from the C++ API to the Python API
==========================================
......
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