Commit 4fccce3e authored by peastman's avatar peastman
Browse files

Fixes to user guide

parent 0e4555a8
......@@ -84,15 +84,19 @@ ENDIF(DOXYGEN_EXECUTABLE)
SET(SPHINX_BUILD_DIR "${CMAKE_BINARY_DIR}/sphinx-docs/")
FILE(MAKE_DIRECTORY "${SPHINX_BUILD_DIR}")
FILE(GLOB_RECURSE USER_GUIDE_FILES ${CMAKE_CURRENT_SOURCE_DIR}/usersguide/*)
FILE(GLOB_RECURSE DEVELOPER_GUIDE_FILES ${CMAKE_CURRENT_SOURCE_DIR}/developerguide/*)
ADD_CUSTOM_COMMAND(
OUTPUT "${SPHINX_BUILD_DIR}/userguide/latex/OpenMMUsersGuide.pdf"
COMMAND "${CMAKE_MAKE_PROGRAM}" BUILDDIR="${SPHINX_BUILD_DIR}/userguide" OPENMM_VERSION="${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}" latexpdf
DEPENDS ${USER_GUIDE_FILES}
WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/usersguide"
COMMENT "Generating PDF user guide"
)
ADD_CUSTOM_COMMAND(
OUTPUT "${SPHINX_BUILD_DIR}/developerguide/latex/OpenMMDeveloperGuide.pdf"
COMMAND "${CMAKE_MAKE_PROGRAM}" BUILDDIR="${SPHINX_BUILD_DIR}/developerguide" OPENMM_VERSION="${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}" latexpdf
DEPENDS ${DEVELOPER_GUIDE_FILES}
WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/developerguide"
COMMENT "Generating PDF developer guide"
)
......@@ -103,14 +107,16 @@ ADD_CUSTOM_TARGET(sphinxpdf
ADD_CUSTOM_COMMAND(
OUTPUT "${SPHINX_BUILD_DIR}/userguide/html/index.html"
COMMAND "${CMAKE_MAKE_PROGRAM}" BUILDDIR="${SPHINX_BUILD_DIR}/userguide" OPENMM_VERSION="${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}" html
DEPENDS ${USER_GUIDE_FILES}
WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/usersguide"
COMMENT "Generating PDF user guide"
COMMENT "Generating HTML user guide"
)
ADD_CUSTOM_COMMAND(
OUTPUT "${SPHINX_BUILD_DIR}/developerguide/html/index.html"
COMMAND "${CMAKE_MAKE_PROGRAM}" BUILDDIR="${SPHINX_BUILD_DIR}/developerguide" OPENMM_VERSION="${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}" html
DEPENDS ${DEVELOPER_GUIDE_FILES}
WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/developerguide"
COMMENT "Generating PDF developer guide"
COMMENT "Generating HTML developer guide"
)
ADD_CUSTOM_TARGET(sphinxhtml
DEPENDS "${SPHINX_BUILD_DIR}/userguide/html/index.html" "${SPHINX_BUILD_DIR}/developerguide/html/index.html"
......
......@@ -43,6 +43,7 @@ def doctree_resolved(app, doctree, docname):
chapter = sectionNumbers[chapter.attributes['ids'][0]][0]
if chapter != lastChapter:
index = {}
nextNumber = 1
newNode = Text('%s %d-%d' % (category, chapter, nextNumber))
lastChapter = chapter
else:
......
This diff is collapsed.
......@@ -20,11 +20,11 @@ high level interface for running simulations. This layer is targeted at
computational biologists or other people who want to run simulations, and who
may or may not be programmers.
Part I of this guide focused on the application layer and described how to run
The first part of this guide focused on the application layer and described how to run
simulations with it. We now turn to the lower level libraries. We will assume
you are a programmer, that you are writing your own applications, and that you
want to add simulation features to those applications. Part II of this guide
describes how to do that with OpenMM.
want to add simulation features to those applications. The following chapters
describe how to do that with OpenMM.
How to get started
==================
......@@ -42,7 +42,8 @@ License
========
Two different licenses are used for different parts of OpenMM. The public API,
the low level API, and the reference platform are all distributed under the MIT
the low level API, the reference platform, the CPU platform, and the application
layer are all distributed under the MIT
license. This is a very permissive license which allows them to be used in
almost any way, requiring only that you retain the copyright notice and
disclaimer when distributing them.
......@@ -425,12 +426,18 @@ Get the OpenMM source code
You will also need the OpenMM source code before building OpenMM from source.
To download and unpack OpenMM source code:
#. Browse to https://simtk.org/home/openmm/.
#. Browse to https://simtk.org/home/openmm.
#. Click the "Downloads" link in the navigation bar on the left side.
#. Download OpenMM<Version>-Source.zip, choosing the latest version.
#. Unpack the zip file. Note the location where you unpacked the OpenMM source
code.
Alternatively, if you want the most recent development version of the code rather
than the version corresponding to a particular release, you can get it from
https://github.com/SimTk/openmm. Be aware that the development code is constantly
changing, may contain bugs, and should never be used for production work. If
you want a stable, well tested version of OpenMM, you should download the source
code for the latest release as described above.
Other Required Software
=======================
......@@ -540,10 +547,10 @@ There are several variables that can be adjusted in the CMake interface:
install OpenMM.
Configure (press \ :code:`c`\ ) again. Adjust any variables that cause an
Configure (press c) again. Adjust any variables that cause an
error.
Continue to configure (press \ :code:`c`\ ) until no starred/red CMake
Continue to configure (press c) until no starred/red CMake
variables are displayed. Congratulations, you have completed the configuration
step.
......@@ -566,7 +573,7 @@ Windows
Mac and Linux
=============
* Press :code:`g` to generate the Makefile.
* Press g to generate the Makefile.
* If CMake does not exit automatically, press q to exit.
......@@ -1321,9 +1328,11 @@ to change the build environment.
double stepSizeInFs,
std::string& platformName);
static void myStepWithOpenMM(MyOpenMMData*, int numSteps);
static void myGetOpenMMState(MyOpenMMData*, bool
wantEnergy,double& time, double& energy,
MyAtomInfo atoms[]);
static void myGetOpenMMState(MyOpenMMData*,
bool wantEnergy,
double& time,
double& energy,
MyAtomInfo atoms[]);
static void myTerminateOpenMM(MyOpenMMData*);
......
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