Commit 38db8fb1 authored by John Chodera (MSKCC)'s avatar John Chodera (MSKCC)
Browse files

Undid some debug info.

parent a13e3d18
# ----------------------------------------------------------------------
# Makefile for OpenMM Preview Release 4 workshop "hello world" examples.
# August 18, 2009
# See https://simtk.org/home/openmm.
# ----------------------------------------------------------------------
# This assumes you have gcc compilers for whatever language you are
# using: g++ for C++ and C, gfortran for Fortran 95.
#
# For the C and Fortran examples, we're depending on your version of
# OpenMM to have been built with the automatically-generated API
# wrappers.
#
# This has had only minimal testing, although it has been known to
# work. It is likely to work fine for C and C++. For Fortran, you
# may need to add some of the C/C++ libraries:
# -lc -lm -lstdc++ (or -lstdc++.6) -lgcc -lgcc_s
# but this wasn't required for these examples on Centos 5.2 using
# gcc 4.1.2.
# Check whether this is the right capitalization for your install directory.
OpenMM_INSTALL_DIR=/usr/local/openmm
CFLAGS = -g
FFLAGS = -g -ffree-line-length-none
# Extra libraries required when gfortran links with a C++ module.
# If this doesn't work, look in /usr/lib to
# see what versions of libstdc++.so you have and try different
# versions.
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LIB_DIR=$(OpenMM_INSTALL_DIR)/lib
INCLUDE_DIR=$(OpenMM_INSTALL_DIR)/include
LIBS= -lOpenMM
ALL_CPP_EXAMPLES = HelloArgon HelloSodiumChloride HelloEthane HelloWaterBox
ALL_C_EXAMPLES = HelloArgonInC HelloSodiumChlorideInC
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default: HelloArgon
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HelloSodiumChlorideInC: HelloSodiumChlorideInC.c
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HelloSodiumChlorideInFortran: HelloSodiumChlorideInFortran.f90 openmm.mod
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......@@ -1004,6 +1004,7 @@ void ReferenceCalcCustomNonbondedForceKernel::initialize(const System& system, c
for (int i = 0; i < force.getNumInteractionGroups(); i++) {
set<int> set1, set2;
printf("initializing interaction group %d\n", i); // DEBUG
force.getInteractionGroupParameters(i, set1, set2);
interactionGroups.push_back(make_pair(set1, set2));
}
......
......@@ -177,7 +177,6 @@ void ReferenceCustomNonbondedIxn::calculatePairIxn( int numberOfAtoms, vector<Re
}
if (interactionGroups.size() > 0) {
// The user has specified interaction groups, so compute only the requested interactions.
for (int group = 0; group < (int) interactionGroups.size(); group++) {
const set<int>& set1 = interactionGroups[group].first;
const set<int>& set2 = interactionGroups[group].second;
......
......@@ -517,7 +517,7 @@ QUIET = NO
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# NO is used.
WARNINGS = YES
WARNINGS = NO
# If WARN_IF_UNDOCUMENTED is set to YES, then doxygen will generate warnings
# for undocumented members. If EXTRACT_ALL is set to YES then this flag will
......@@ -530,7 +530,7 @@ WARN_IF_UNDOCUMENTED = NO
# parameters in a documented function, or documenting parameters that
# don't exist or using markup commands wrongly.
WARN_IF_DOC_ERROR = YES
WARN_IF_DOC_ERROR = NO
# This WARN_NO_PARAMDOC option can be abled to get warnings for
# functions that are documented, but have no documentation for their parameters
......@@ -564,8 +564,14 @@ WARN_LOGFILE =
# directories like "/usr/src/myproject". Separate the files or directories
# with spaces.
INPUT = "$(OPENMM_INCLUDE_PATH)/OpenMM.h" \
"$(OPENMM_INCLUDE_PATH)/openmm"
INPUT = "/Users/choderaj/code/openmm/openmm.jchodera/openmmapi" \
"/Users/choderaj/code/openmm/openmm.jchodera/olla/include/openmm/Platform.h" \
"/Users/choderaj/code/openmm/openmm.jchodera/serialization/include/openmm/serialization/SerializationNode.h" \
"/Users/choderaj/code/openmm/openmm.jchodera/serialization/include/openmm/serialization/SerializationProxy.h" \
"/Users/choderaj/code/openmm/openmm.jchodera/serialization/include/openmm/serialization/XmlSerializer.h" \
"/Users/choderaj/code/openmm/openmm.jchodera/plugins/amoeba/openmmapi" \
"/Users/choderaj/code/openmm/openmm.jchodera/plugins/rpmd/openmmapi" \
"/Users/choderaj/code/openmm/openmm.jchodera/plugins/drude/openmmapi"
# This tag can be used to specify the character encoding of the source files
# that doxygen parses. Internally doxygen uses the UTF-8 encoding, which is
......@@ -594,7 +600,7 @@ RECURSIVE = YES
# excluded from the INPUT source files. This way you can easily exclude a
# subdirectory from a directory tree whose root is specified with the INPUT tag.
EXCLUDE =
EXCLUDE = *Impl.h
# The EXCLUDE_SYMLINKS tag can be used select whether or not files or
# directories that are symbolic links (a Unix filesystem feature) are excluded
......@@ -608,11 +614,15 @@ EXCLUDE_SYMLINKS = NO
# against the file with absolute path, so to exclude all test directories
# for example use the pattern */test/*
#EXCLUDE_PATTERNS = */tests/* \
# */src/* \
# */.svn/*
EXCLUDE_PATTERNS = */tests/* \
*/.svn/*
*/openmmapi/src/* \
*/internal/* \
*/.svn/* \
*amoebaKernels.h \
*DrudeKernels.h \
*RpmdKernels.h \
*OpenMMFortranModule.f90 \
*OpenMMCWrapper.h
# The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names
# (namespaces, classes, functions, etc.) that should be excluded from the
......
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