The pygnme package is a python interface to the libgnme package.
pygnme requires the pybind11 package, which can be installed with
python -m pip install pybind11
and set pybind11_DIR environment variable to [python site-packages directory]/pybind11/share/cmake/.
pygnme is packaged with a setup.py:
git clone --recurse-submodules [email protected]:hgaburton/pygnme.git
python -m pip install . -v --user
If an error such as ImportError: libgnme_wick.so: cannot open shared object file: No such file or directory is encountered, add the site-packages directory corresponding to your python instance to LD_LIBRARY_PATH.
If cblas related errors are encountered during compilation, add the following lines to external/libgnme/CMakeLists.txt
find_package(CBLAS)
and the following lines to external/libgnme/wick/CMakeLists.txt
target_link_libraries(gnme_wick gnme_utils "${BLAS_LIBRARIES}" )
include_directories("${CBLAS_LIBRARIES}")