An API for the Polarizable Continuum Model.

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• Changelog
• Documentation
• Build and test history
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• Version 1.1.10 available
• Licensed under LGPLv3
• CMake infrastructure managed via Autocmake

All builds force custom build of the needed Boost libraries, except when stated otherwise.

All CI builds are triggered by push events to any branch. Travis CI runs release builds using ccache to speed up compilation.

• Ubuntu 12.04 LTS 64-bit with CMake 3.3.2 and Boost 1.55.0 this is the environment offered by Travis CI pulling in various PPA. Python and Python packages are installed and managed via Conda within an environment defined in the .pcmsolver-travis.yml file. The following compilers are used:

  1. GCC 4.6, Python 2.7 This build generates both the shared and static libraries, linking executables to the former. The build is run with and without coverage analysis.
  2. Clang 3.5, GFortran 4.6, Python 3.5 This build generates only the static library.

• Mac OS X 10.11 with CMake 3.6.2 and Boost 1.61.0 this is the environment offered by Travis CI with their Xcode 7.3.1 image. The following compilers are used:

  1. Apple LLVM 7.3.0, GFortran 5.4.0, Python 2.7 This build generates only the static library.
  2. GCC 6.2.0, Python 3.5 This build generates both the shared and static libraries, linking executables to the former.

The build needed for submission to Coverity scan is triggered by pushes to the coverity_scan branch. It is run on Ubuntu 12.04 LTS 64-bit with Python 2.7, CMake 3.3.2 and Boost 1.55.0 this is the environment offered by Travis CI pulling in various PPA. GCC 5.1 is used, in debug mode.