Tuesday, April 26, 2011

Chemkit relicensed under the BSD license

As of today the chemkit library is licensed under the 3-clause BSD license. The new license file can be seen here.

The BSD license is far simpler and far less restrictive than the previously used GNU Lesser General Public License (LGPL). This new license should allow for a much wider usage of the chemkit library.

Monday, April 4, 2011

Chemkit moves to CMake

Over this past weekend I ported the build system for chemkit from QMake to CMake. You can see the commit here (it's quite big). CMake is a great system and it is much more powerful and configurable than QMake was.

The impact for users is minimal and the only real change is that now to compile chemkit from source you need to use the following commands:

  cd /path/to/chemkit
  mkdir build
  cd build
  cmake ..
  make

CMake uses out of source builds which eliminates the clutter of object files in the source directories and moves them all under the build/ directory.

Another nice feature of CMake is its integration with CTest. This allows for all the chemkit auto-tests to be run with just a single command like so:

  cd /path/to/chemkit/build
  ctest

CTest replaces the old, custom autotest.py script and works quite well.

Overall I am pleased with CMake's performance. I haven't tested it on Windows yet but hopefully, due to its cross-platform nature, it will "Just Work". Let me know if you have any issues building chemkit with the new build system.