The coordgen upstream does not install the template file. It is
also not required at runtime, since its contents are compiled into
the coordgen library itself.
Fixes#2214
UsePythonTest.cmake contains a template that is used to create a series of cmake files that execute tests for the python language bindings. Quotes within this template need to be escaped, otherwise they fail to appear in the resulting cmake files.
In this context, the unescaped quotes were optional so no error was actually caused. However, as of cmake 2.8.12, the unescaped quotes cause a warning when running cmake: "Argument not separated from preceding token by whitespace."
This change simply removes the unescaped quotes, causing no changes to the resulting cmake files.
Under certain circumstances, pkgconfig won't successfully return the include and library paths for Cairo, however cmake will still manage to find them with find_path and find_library.
Specifically, this can be an issue if Cairo is installed using Homebrew on Mac OS X, which just relies on X11/XQuartz for some of its dependencies. This is a problem because /opt/X11/lib/pkgconfig/ is not visible to pkgconfig by default, so instead of returning the include and library paths for Cairo, pkgconfig just complains that dependencies are missing (even though they aren't).
Even without the hints from pkgconfig, cmake will still manage to find the correct paths in most cases, especially if they are sensible like the Homebrew defaults of /usr/local/lib/libcairo.dylib and /usr/local/include/cairo
Ensure that the environment variables LD_LIBRARY_PATH, BABEL_*DIR are
set by CMake before running the Python binding tests. This involved
editing the UsePythonTest CMake module to allow these values to be
passed. I also made sure that these tests can run directly.
TODO: Sort this all out on Windows.
This is my first attempt at adding an option to build against a system inchi
library. It looks for an inchi library in the standard locations, and adds in
some logic to use that library if selected.
Added contribution from Jiahao Chen:
* src/charges/qeq.h, src/charges/qeq.cpp:
Added implementation of QEq charge model (Rappe and Goddard, 1991)
* src/charges/qtpie.h, src/charges/qtpie.cpp:
Added implementation of QTPIE charge model (Chen and Martinez, 2007;
2008)
* src/atom.cpp: added comments to show how these new charge models can
be called from within current OpenBabel code
* CMakeLists.txt: added charge models and compile flags for Eigen2
library (variables copied from Avogadro source tree)
Enable testing of OpenBabel executables from Python
* test/testbabel.py: Initial checkin of tests for the Babel executable
* test/CMakeLists.txt: Add testbabel.py
* cmake/modules/UsePythonTest.cmake: Add a CMake module for adding
Python tests (BSD License) from Mathieu Malaterre
Eisuke Kawashima
Benny Siegert
Ricardo R-S
Rocco Meli
Matt Swain
David Hall
Reinis Danne
Noel O'Boyle
Geoff Hutchison
Marcus D. Hanwell
Geoffrey Hutchison
Tim Vandermeersch
Marcus D. Hanwell
Michael Banck