Install pARTn for Siesta

The Siesta interface to pARTn works via the Fortran-Lua hook (FLOOK) in Siesta. See also this page. The calculation is thus controlled by a specified LUA script, available in the file artn.lua in the directory examples/Siesta.Si-vac.d.

Note

It is required that Siesta is built with -DSIESTA_WITH_FLOOK=ON.

The compilation will create the shared lib libartn_lua.so. Make sure that before using Siesta with pARTn, lua knows where to look for this library. Simplest way to do that is to add the following line (edit the correct pARTn path) into your .bashrc:

export LUA_CPATH=$LUA_CPATH:";$HOME/artn-plugin/lib/?.so;"

Alternatively, declare the path at the beginning of the artn.lua script, as:

package.cpath = package.cpath .. ";/path/to/artn-plugin/lib/libartn_lua.so"

For an example how to run, check the How To section, or the directory examples/Siesta.Si-vac.d/ and the README therein.

Using `make`

Configure pARTn with --with-siesta and the path SIESTA_PATH= to the build directory of Siesta:
```
cd /path/to/artn-plugin
./configure --with-siesta SIESTA_PATH=/path/to/siesta/build
```
Compile the files from the pARTn root directory as:
```
make siestalib
```
Or from the ENGINES/Siesta directory:
```
cd ENGINES/Siesta
make
```

Using `cmake`

Replace <my_builddir> with the name of desired build directory of pARTn, and insert a valid absolute path to the Siesta build directory </path/to/siesta/build>.

cd /path/to/artn-plugin

# configure; replace <my_builddir> and </path/to/siesta/build>
cmake -B <my_builddir> -DWITH_SIESTA=yes -DSIESTA_PATH=</path/to/siesta/build>

# build, optionally with <N> processes
cmake --build <my_builddir>  -j <N>

Install pARTn for Siesta

Using make

Using cmake

Using `make`

Using `cmake`