Installation¶
Requirements¶
cmake
is required for building the library. Gromacs is required, since
the library links to some of it’s functions.
Installing¶
A typical install consists of downloading the most recent tarball and extracting it. Enter the source directory. Then do:
mkdir build
cd build
cmake ..
make
make install
You may need superuser privileges for the last step, or you may need to specify
a different installation directory (like your home folder) with the cmake
option -DCMAKE_INSTALL_PREFIX
above.
Alternatively if you are running Arch you can install it from the AUR.
Location¶
Header files will be installed within a folder named gmxcpp
.
Testing the build¶
To test your build you can run make test
in the build directory (see above).
Automated tests are performed via
Travis when new commits are pushed.
Tests are in the tests
directory.
Documentation¶
If you want to have a local copy of the documentation, do make docs
in the
build directory. The html files will be placed in docs/html
in your build
directory. sphinx
, breathe
, and doxygen
are required to build the
documentation. Install doxygen
with your package manager (e.g., sudo
apt-get install doxygen
). Install sphinx
and breathe
with:
sudo pip install sphinx
sudo pip install breathe
Additionally the source code is well-documented, containing more detail than the generated documentation.