Commit cf8a03e8 authored by peastman's avatar peastman
Browse files

Merged changes from main branch

parents f7f70136 31d02cdc
language: cpp
compiler:
- clang
before_install:
- sudo apt-get update -qq
- sudo apt-get install -qq libpcre3 libpcre3-dev gromacs
- sudo apt-get install -qq swig doxygen llvm-3.3
- sudo apt-get install -qq python-numpy python-scipy python-nose
- export ASAN_SYMBOLIZER_PATH=/usr/bin/llvm-symbolizer-3.3
script:
- cmake -DCMAKE_INSTALL_PREFIX=~/OpenMM -DCMAKE_BUILD_TYPE=Debug -DCMAKE_CXX_FLAGS_DEBUG="-g -fsanitize=address -fno-omit-frame-pointer -O2" .
- make
- make test
- make install
- ls ~/OpenMM/include
- export LD_LIBRARY_PATH=~/OpenMM/lib/
- export OPENMM_LIB_PATH=~/OpenMM/lib/
- export OPENMM_INCLUDE_PATH=~/OpenMM/include/
- cd python
- sudo -E python setup.py install
- cd tests
- nosetests -vv
......@@ -14,6 +14,8 @@
# libOpenMM_static[_d].a
#----------------------------------------------------
find_program(PYTHON_EXECUTABLE NAMES python)
# Don't create a new project name if this is part of a mega-build from the
# parent directory
IF( NOT PROJECT_NAME )
......@@ -51,15 +53,15 @@ if(COMMAND cmake_policy)
endif(COMMAND cmake_policy)
# Where to install
IF(${CMAKE_C_COMPILER} MATCHES "gcc")
IF(WIN32)
IF(NOT OPENMM_INSTALL_PREFIX)
SET(OPENMM_INSTALL_PREFIX "/usr/local/openmm")
SET(OPENMM_INSTALL_PREFIX "$ENV{ProgramFiles}/OpenMM")
ENDIF(NOT OPENMM_INSTALL_PREFIX)
ELSE(${CMAKE_C_COMPILER} MATCHES "gcc")
ELSE(WIN32)
IF(NOT OPENMM_INSTALL_PREFIX)
SET(OPENMM_INSTALL_PREFIX "$ENV{ProgramFiles}/OpenMM")
SET(OPENMM_INSTALL_PREFIX "/usr/local/openmm")
ENDIF(NOT OPENMM_INSTALL_PREFIX)
ENDIF(${CMAKE_C_COMPILER} MATCHES "gcc")
ENDIF(WIN32)
# It seems that on linux and mac, everything is trying to be installed in /usr/local/openmm
# But if every install target is prefixed with /openmm/, on Windows the install files
......@@ -85,8 +87,11 @@ IF(WIN32)
ENDFOREACH(lib)
LINK_DIRECTORIES("${CMAKE_CURRENT_BINARY_DIR}/${CMAKE_CFG_INTDIR}")
SET(PTHREADS_LIB pthreadVC2)
SET(PTHREADS_LIB_STATIC pthreadVC2_static_mt)
ELSE(WIN32)
SET(PTHREADS_LIB pthread)
# in linux, even in static builds we link against the dynamic object (since its tied to libc versions)
SET(PTHREADS_LIB_STATIC pthread)
ENDIF(WIN32)
# The build system will set ARCH64 for 64 bit builds, which require
......@@ -144,11 +149,11 @@ ENDIF (NOT CMAKE_CXX_FLAGS_RELEASE)
# and make it available to the code so it can be built into the binaries.
SET(OPENMM_LIBRARY_NAME OpenMM)
SET(OPENMM_MAJOR_VERSION 5)
SET(OPENMM_MINOR_VERSION 2)
SET(OPENMM_MAJOR_VERSION 6)
SET(OPENMM_MINOR_VERSION 0)
SET(OPENMM_BUILD_VERSION 0)
SET(OPENMM_COPYRIGHT_YEARS "2008")
SET(OPENMM_COPYRIGHT_YEARS "2008-2014")
# underbar separated list of dotted authors, no spaces or commas
SET(OPENMM_AUTHORS "Peter.Eastman")
......@@ -162,11 +167,11 @@ ADD_DEFINITIONS(-DOPENMM_LIBRARY_NAME=${OPENMM_LIBRARY_NAME}
# to add them ourselves for Linux or Cygwin. Two cases to avoid duplicate quotes
# in Visual Studio which end up in the binary.
IF (${CMAKE_GENERATOR} MATCHES "Visual Studio")
IF (MSVC)
SET(NEED_QUOTES FALSE)
ELSE (${CMAKE_GENERATOR} MATCHES "Visual Studio")
ELSE (MSVC)
SET(NEED_QUOTES TRUE)
ENDIF (${CMAKE_GENERATOR} MATCHES "Visual Studio")
ENDIF (MSVC)
##TODO: doesn't work without quotes in nightly build
SET(NEED_QUOTES TRUE)
......@@ -208,9 +213,9 @@ SET(${PROJECT_NAME}_LIBRARY_DIR ${LIBRARY_OUTPUT_PATH}/${CMAKE_CFG_INTDIR})
# Ensure that debug libraries have "_d" appended to their names.
# CMake gets this right on Windows automatically with this definition.
IF (${CMAKE_GENERATOR} MATCHES "Visual Studio")
IF (MSVC)
SET(CMAKE_DEBUG_POSTFIX "_d" CACHE INTERNAL "" FORCE)
ENDIF (${CMAKE_GENERATOR} MATCHES "Visual Studio")
ENDIF (MSVC)
# But on Unix or Cygwin we have to add the suffix manually
IF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
......
## OpenMM: A High Performance Molecular Dynamics Library
[![Build Status](https://travis-ci.org/SimTk/openmm.png?branch=master)](https://travis-ci.org/SimTk/openmm)
Introduction
------------
......
default-character-set=utf8
default-collation=utf8_general_ci
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