C installation¶
You can install gau2grid with conda
or by installing from source.
Conda¶
You can update gau2grid using conda:
conda install gau2grid -c psi4
This installs the gau2grid library.
Install from Source¶
Gau2grid uses the CMake build system to compile and configure options. To begin, clone the repository:
git clone https://github.com/dgasmith/gau2grid.git
cd gau2grid
A basic CMake build can then be executed with:
cmake -H. -Bobjdir
cd objdir
make
make install
CMake Options¶
Gau2grid can be compiled with the following CMake options:
CMAKE_INSTALL_PREFIX
- The path to install the library to (default,/usr/local
)
CMAKE_INSTALL_LIBDIR
- Directory to which libraries installed
MAX_AM
- The maximum gaussian angular momentum to compile (default,8
)
CMAKE_BUILD_TYPE
- Build type (Release or Debug) (default,Release
)
ENABLE_XHOST
- Enables processor-specific optimization (default,ON
)
BUILD_FPIC
- Libraries will be compiled with position independent code (default,ON
)
BUILD_SHARED_LIBS
- Build final library as shared, not static (default,ON
)
ENABLE_GENERIC
- Enables mostly static linking of system libraries for shared library (default,OFF
)
CMake options should be prefixed with -D
, for example:
cmake -H. -Bobjdir -DCMAKE_INSTALL_PREFIX=~/installs