Installation¶
Requirements¶
cmake
is required for building the library. Gromacs 5.1+ 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 were performed via Travis when new commits were pushed, but a newer compiler is required than available. Specifically, “<random>” is used in some utilities.
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.