Commit 1561f089 authored by peastman's avatar peastman
Browse files

Updated documentation on installing to discuss conda

parent a07aace0
......@@ -92,7 +92,7 @@ pygments_style = 'sphinx'
# The theme to use for HTML and HTML Help pages. See the documentation for
# a list of builtin themes.
html_theme = 'agogo'
html_theme = 'alabaster'
# Theme options are theme-specific and customize the look and feel of a theme
# further. For a list of options available for each theme, see the
......
......@@ -38,18 +38,61 @@ Follow these instructions to install OpenMM. There also is an online
troubleshooting guide that describes common problems and how to fix them
(http://wiki.simtk.org/openmm/FAQApp).
Installing with Conda
*********************
There are two ways to install OpenMM: using the Conda package manager, or with
standalone installers. (A third option is to compile it from source, which is
discussed in Chapter :ref:`compiling-openmm-from-source-code`.) Using Conda is
the easier method, and is recommended for most users. It is described first,
and then the following sections describe how to use the standalone installers
for various platforms.
Conda is included as part of the Anaconda Python distribution, which you can
download from http://docs.continuum.io/anaconda/install. This is a Python
distribution specifically designed for scientific applications, with many of the
most popular mathematical and scientific packages preinstalled. Alternatively
you can use Miniconda (available from http://conda.pydata.org/miniconda.html),
which includes only Python itself, plus the Conda package manager. That offers
a much smaller initial download, with the ability to then install only the
packages you want.
1. Begin by installing the most recent 64 bit, Python 3.x version of either
Anaconda or Miniconda.
2. (Optional) If you want to run OpenMM on a GPU, install CUDA and/or OpenCL.
* If you have an Nvidia GPU, download CUDA 7.5 from
https://developer.nvidia.com/cuda-downloads. Be sure to install both the
drivers and toolkit. OpenCL is included with the CUDA drivers.
* If you have an AMD GPU and are using Linux or Windows, download the latest
version of the Catalyst driver from http://support.amd.com. On OS X, OpenCL
is included with the operating system and is supported on OS X 10.10.5 or
later.
3. Open a command line terminal and type the following command
::
conda install -c omnia openmm
4. Verify your installation by typing the following command:
::
python -m simtk.testInstallation
This command confirms that OpenMM is installed, checks whether GPU acceleration
is available (via the OpenCL and/or CUDA platforms), and verifies that all
platforms produce consistent results.
.. _installing-on-mac-os-x:
Installing on Mac OS X
**********************
OpenMM works on Mac OS X 10.7 or later.
.. note::
The OpenCL implementations on all recent versions of Mac OS X contain serious
bugs that make them unsuitable for use with OpenMM. GPU acceleration is
therefore only supported with the CUDA platform. This limits it to only Nvidia
GPUs, not AMD or Intel GPUs.
OpenMM works on Mac OS X 10.7 or later. OpenCL is supported on OS X 10.10.5 or
later.
1. Download the pre-compiled binary of OpenMM for Mac OS X, then double click
the .zip file to expand it.
......@@ -61,7 +104,7 @@ and tell it to install the command line tools. With Xcode 4.2 and earlier, the
command line tools are automatically installed when you install Xcode.)
3. (Optional) If you have an Nvidia GPU and want to use the CUDA platform,
download CUDA 7.0 from https://developer.nvidia.com/cuda-downloads. Be sure to
download CUDA 7.5 from https://developer.nvidia.com/cuda-downloads. Be sure to
install both the drivers and toolkit.
4. (Optional) If you plan to use the CPU platform, it is recommended that you
......@@ -126,7 +169,7 @@ into a console window.
3. (Optional) If you want to run OpenMM on a GPU, install CUDA and/or OpenCL.
* If you have an Nvidia GPU, download CUDA 7.0 from
* If you have an Nvidia GPU, download CUDA 7.5 from
https://developer.nvidia.com/cuda-downloads. Be sure to install both the
drivers and toolkit. OpenCL is included with the CUDA drivers.
* If you have an AMD GPU, download the latest version of the Catalyst driver
......@@ -197,7 +240,7 @@ and ignore it.)
4. (Optional) If you want to run OpenMM on a GPU, install CUDA and/or OpenCL.
* If you have an Nvidia GPU, download CUDA 7.0 from
* If you have an Nvidia GPU, download CUDA 7.5 from
https://developer.nvidia.com/cuda-downloads. Be sure to install both the
drivers and toolkit. OpenCL is included with the CUDA drivers.
* If you have an AMD GPU, download the latest version of the Catalyst driver
......
......@@ -92,7 +92,7 @@ pygments_style = 'sphinx'
# The theme to use for HTML and HTML Help pages. See the documentation for
# a list of builtin themes.
html_theme = 'agogo'
html_theme = 'alabaster'
# Theme options are theme-specific and customize the look and feel of a theme
# further. For a list of options available for each theme, see the
......
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