 |
OpenRDM
An open-source library for reduced-density matrix-based analysis and computation
|
|
|
OpenRDM
An open-source library for reduced-density matrix-based analysis and computation
|
|
Since Libxc and HDF5 are added as external projects and independent builds into the main OpenRDM project, using H_LIBXC=ON and WITH_HDF5=ON options at the configure step generates an "unknown build rule" error using Ninja generators. At the moment, the user has to adopt Unix Makefile's make as the build generator.
Activating the WITH_HDF5=ON CMake option triggers downloading HDF5 library from its repository and installs it as an external project. If you already have the HDF5 library, header files or header-only version installed on your system, cloning and installing a fresh copy as an external project might cause a version inconsistency error.
In this situation, we recommend the user to uninstall/remove the older libraries and header files and setup a fresh copy of the new version that matches that of the external HDF5 library cloned and installed by OpenRDM.
If the user cannot afford to refresh the local copy of HDF5 header-only library, adding the following environment variable to the .bashrc file would supress the aforementioned error:
We do not, however, recommend this way due to any possible instability issue or unpredicted behavior.