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

Fixes to user guide

parent 0e4555a8
...@@ -84,15 +84,19 @@ ENDIF(DOXYGEN_EXECUTABLE) ...@@ -84,15 +84,19 @@ ENDIF(DOXYGEN_EXECUTABLE)
SET(SPHINX_BUILD_DIR "${CMAKE_BINARY_DIR}/sphinx-docs/") SET(SPHINX_BUILD_DIR "${CMAKE_BINARY_DIR}/sphinx-docs/")
FILE(MAKE_DIRECTORY "${SPHINX_BUILD_DIR}") FILE(MAKE_DIRECTORY "${SPHINX_BUILD_DIR}")
FILE(GLOB_RECURSE USER_GUIDE_FILES ${CMAKE_CURRENT_SOURCE_DIR}/usersguide/*)
FILE(GLOB_RECURSE DEVELOPER_GUIDE_FILES ${CMAKE_CURRENT_SOURCE_DIR}/developerguide/*)
ADD_CUSTOM_COMMAND( ADD_CUSTOM_COMMAND(
OUTPUT "${SPHINX_BUILD_DIR}/userguide/latex/OpenMMUsersGuide.pdf" OUTPUT "${SPHINX_BUILD_DIR}/userguide/latex/OpenMMUsersGuide.pdf"
COMMAND "${CMAKE_MAKE_PROGRAM}" BUILDDIR="${SPHINX_BUILD_DIR}/userguide" OPENMM_VERSION="${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}" latexpdf COMMAND "${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" WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/usersguide"
COMMENT "Generating PDF user guide" COMMENT "Generating PDF user guide"
) )
ADD_CUSTOM_COMMAND( ADD_CUSTOM_COMMAND(
OUTPUT "${SPHINX_BUILD_DIR}/developerguide/latex/OpenMMDeveloperGuide.pdf" OUTPUT "${SPHINX_BUILD_DIR}/developerguide/latex/OpenMMDeveloperGuide.pdf"
COMMAND "${CMAKE_MAKE_PROGRAM}" BUILDDIR="${SPHINX_BUILD_DIR}/developerguide" OPENMM_VERSION="${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}" latexpdf COMMAND "${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" WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/developerguide"
COMMENT "Generating PDF developer guide" COMMENT "Generating PDF developer guide"
) )
...@@ -103,14 +107,16 @@ ADD_CUSTOM_TARGET(sphinxpdf ...@@ -103,14 +107,16 @@ ADD_CUSTOM_TARGET(sphinxpdf
ADD_CUSTOM_COMMAND( ADD_CUSTOM_COMMAND(
OUTPUT "${SPHINX_BUILD_DIR}/userguide/html/index.html" OUTPUT "${SPHINX_BUILD_DIR}/userguide/html/index.html"
COMMAND "${CMAKE_MAKE_PROGRAM}" BUILDDIR="${SPHINX_BUILD_DIR}/userguide" OPENMM_VERSION="${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}" html COMMAND "${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" WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/usersguide"
COMMENT "Generating PDF user guide" COMMENT "Generating HTML user guide"
) )
ADD_CUSTOM_COMMAND( ADD_CUSTOM_COMMAND(
OUTPUT "${SPHINX_BUILD_DIR}/developerguide/html/index.html" OUTPUT "${SPHINX_BUILD_DIR}/developerguide/html/index.html"
COMMAND "${CMAKE_MAKE_PROGRAM}" BUILDDIR="${SPHINX_BUILD_DIR}/developerguide" OPENMM_VERSION="${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}" html COMMAND "${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" WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/developerguide"
COMMENT "Generating PDF developer guide" COMMENT "Generating HTML developer guide"
) )
ADD_CUSTOM_TARGET(sphinxhtml ADD_CUSTOM_TARGET(sphinxhtml
DEPENDS "${SPHINX_BUILD_DIR}/userguide/html/index.html" "${SPHINX_BUILD_DIR}/developerguide/html/index.html" DEPENDS "${SPHINX_BUILD_DIR}/userguide/html/index.html" "${SPHINX_BUILD_DIR}/developerguide/html/index.html"
......
...@@ -43,6 +43,7 @@ def doctree_resolved(app, doctree, docname): ...@@ -43,6 +43,7 @@ def doctree_resolved(app, doctree, docname):
chapter = sectionNumbers[chapter.attributes['ids'][0]][0] chapter = sectionNumbers[chapter.attributes['ids'][0]][0]
if chapter != lastChapter: if chapter != lastChapter:
index = {} index = {}
nextNumber = 1
newNode = Text('%s %d-%d' % (category, chapter, nextNumber)) newNode = Text('%s %d-%d' % (category, chapter, nextNumber))
lastChapter = chapter lastChapter = chapter
else: else:
......
This diff is collapsed.
...@@ -20,11 +20,11 @@ high level interface for running simulations. This layer is targeted at ...@@ -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 computational biologists or other people who want to run simulations, and who
may or may not be programmers. 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 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 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 want to add simulation features to those applications. The following chapters
describes how to do that with OpenMM. describe how to do that with OpenMM.
How to get started How to get started
================== ==================
...@@ -42,7 +42,8 @@ License ...@@ -42,7 +42,8 @@ License
======== ========
Two different licenses are used for different parts of OpenMM. The public API, 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 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 almost any way, requiring only that you retain the copyright notice and
disclaimer when distributing them. disclaimer when distributing them.
...@@ -425,12 +426,18 @@ Get the OpenMM source code ...@@ -425,12 +426,18 @@ Get the OpenMM source code
You will also need the OpenMM source code before building OpenMM from source. You will also need the OpenMM source code before building OpenMM from source.
To download and unpack OpenMM source code: 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. #. Click the "Downloads" link in the navigation bar on the left side.
#. Download OpenMM<Version>-Source.zip, choosing the latest version. #. Download OpenMM<Version>-Source.zip, choosing the latest version.
#. Unpack the zip file. Note the location where you unpacked the OpenMM source #. Unpack the zip file. Note the location where you unpacked the OpenMM source
code. 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 Other Required Software
======================= =======================
...@@ -540,10 +547,10 @@ There are several variables that can be adjusted in the CMake interface: ...@@ -540,10 +547,10 @@ There are several variables that can be adjusted in the CMake interface:
install OpenMM. install OpenMM.
Configure (press \ :code:`c`\ ) again. Adjust any variables that cause an Configure (press c) again. Adjust any variables that cause an
error. 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 variables are displayed. Congratulations, you have completed the configuration
step. step.
...@@ -566,7 +573,7 @@ Windows ...@@ -566,7 +573,7 @@ Windows
Mac and Linux 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. * If CMake does not exit automatically, press q to exit.
...@@ -1321,9 +1328,11 @@ to change the build environment. ...@@ -1321,9 +1328,11 @@ to change the build environment.
double stepSizeInFs, double stepSizeInFs,
std::string& platformName); std::string& platformName);
static void myStepWithOpenMM(MyOpenMMData*, int numSteps); static void myStepWithOpenMM(MyOpenMMData*, int numSteps);
static void myGetOpenMMState(MyOpenMMData*, bool static void myGetOpenMMState(MyOpenMMData*,
wantEnergy,double& time, double& energy, bool wantEnergy,
MyAtomInfo atoms[]); double& time,
double& energy,
MyAtomInfo atoms[]);
static void myTerminateOpenMM(MyOpenMMData*); static void myTerminateOpenMM(MyOpenMMData*);
......
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