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PCMSolver
=========

An API for the Polarizable Continuum Model.

- [Project website](https://gitlab.com/PCMSolver/pcmsolver)
- [Changelog](CHANGELOG.md)
- [Documentation](http://pcmsolver.readthedocs.io)
- [Build and test history](https://travis-ci.org/PCMSolver/pcmsolver/builds)
- [Nightly build dashboard](https://testboard.org/cdash/index.php?project=PCMSolver)
- Version 1.1.10 available
- Licensed under [LGPLv3](LICENSE)
- CMake infrastructure managed *via* [Autocmake](http://autocmake.readthedocs.io/)

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](https://ccache.samba.org/) to speed up compilation.
Magnum CI runs debug builds.
The outcome of the CI builds is deployed to the [build dashboard](https://testboard.org/cdash/index.php?project=PCMSolver)

- Ubuntu 12.04 LTS 64-bit. GCC 4.6, Python 2.7.3, CMake 3.4.2
  This is the environment offered by [Magnum CI](https://magnum-ci.com)
- Ubuntu 12.04 LTS 64-bit with CMake 3.3.2 and Boost 1.55.0 this is the
  environment offered by [Travis CI](https://travis-ci.org) 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
  2. GCC 4.7, Python 3.5
  3. GCC 4.8, Python 2.7
  4. GCC 4.9, Python 3.5
  5. GCC 5.1, Python 2.7, with and without coverage analysis
  6. Clang 3.5, GFortran 4.6, Python 2.7
  7. Clang 3.6, GFortran 4.6, Python 3.5
  8. Clang 3.7, GFortran 4.6, Python 2.7
  9. Clang 3.8, GFortran 4.6, Python 3.5

- Mac OS X 10.11 with CMake 3.6.2 and Boost 1.61.0
  this is the environment offered by [Travis CI](https://travis-ci.org)
  with their Xcode 7.3.1 image.
  The following compilers are used:

  1. Apple LLVM 7.3.0, GFortran 4.8.5, Python 2.7
  2. GCC 4.8.5, Python 2.7
  3. Apple LLVM 7.3.0, GFortran 4.9.3, Python 3.5
  4. GCC 4.9.3, Python 3.5
  5. Apple LLVM 7.3.0, GFortran 5.4.0, Python 2.7
  6. GCC 5.4.0, Python 2.7
  7. Apple LLVM 7.3.0, GFortran 6.2.0, Python 3.5
  8. GCC 6.2.0, Python 3.5

The build needed for submission to [Coverity scan](https://scan.coverity.com/)
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](https://travis-ci.org) pulling
in various PPA. GCC 5.1 is used, in debug mode.

Nightly builds
--------------

*OUTDATED INFORMATION*

- CentOS 6.6. Intel 12.1.2, Python 2.7.3, CMake 3.1.0
- CentOS 6.6. Intel 13.0, Python 2.7.3, CMake 3.1.0
- CentOS 6.6. Intel 13.4, Python 2.7.3, CMake 3.1.0
- CentOS 6.6. Intel 14.0, Python 2.7.3, CMake 3.1.0
- CentOS 6.6. Intel 15.0, Python 2.7.9, CMake 3.2.2.
  Uses Boost 1.58.0
- CentOS 6.6. GCC 4.4.7, Python 2.7.3, CMake 3.1.0
- CentOS 6.6. GCC 4.7.2, Python 2.7.3, CMake 3.1.0
- CentOS 6.6. GCC 4.9.1, Python 2.7.3, CMake 3.1.0
- OS X 10.10.5 Yosemite. LLVM 7.0.0 , GFortran 5.2.0, Python 2.7.10, CMake 3.3.2
  Uses Boost 1.58.0 from the Homebrew repositories.
