/pcmsolver

An API for the Polarizable Continuum Model

Primary LanguageC++GNU Lesser General Public License v3.0LGPL-3.0

DOI Travis CI build status Documentation Status Coverage Status Coverity Scan Build

PCMSolver

An API for the Polarizable Continuum Model.

Primary test environments

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

Continuous integration builds

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

  • Ubuntu 14.04 LTS 64-bit with CMake 3.5.1 and Boost 1.54.0 this is the environment offered by Travis CI. 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, the latter being a debug build.
    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.