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Using CREST subprojects

Newer versions of CREST use external projects:

Library Description Build Option git submodule CMake build meson build
toml-f A TOML parser for Fortran -DWITH_TOMLF=true (default) ✅ ✅ ✅
gfn0 A GFN0-xTB standalone library -DWITH_GFN0=true (default) ✅ ✅ ✅
gfnff A GFN-FF standalone library -DWITH_GFNFF=true (default) ✅ ✅ ✅
tblite A lightweight implementation of the GFN1 and GFN2-xTB Hamiltonians -DWITH_TBLITE=true (default) ✅ ✅ ✅
lwoniom A lightweight ONIOM implementation -DWITH_LWONIOM=true (default) ✅ ✅ ✅

Both cmake and meson should be able to handle the download automatically (with meson being a little bit better at this). The build option can be specified in the respective setup step.

However, some projects are also set up as git submodules (see table) if you want to download the most current commits by hand. To do so, in the CREST main directory use

git submodule init
git submodule update

which should check out all the subprojects.

To update the submodule sources from the respective remote branches

git submodule update --remote

can be used.

Alternatively, a source directory of the respective project can be placed in the subprojects directory, or a symbolic link can be set.