Install the engine

Get a seams binary and libyodaLib. This repository does not install Python or Lua.

pixi

pixi run setup
pixi run build
./bbdir/seams --help
./bbdir/seams --features

The default pixi lock includes Highway and chemfiles. Optional pixi environments: ira, sphericart, nauty, mpi, docs.

Nix flake

nix build
./result/bin/seams --help
nix develop
nix run . -- read input/traj/exampleTraj.lammpstrj

The flake turns Eigen, BLAS/LAPACK, Catch2, and Highway on when nixpkgs provides them. Optional wrap-git backends (vesin, chemfiles, readcon-core, IRA, sphericart, nauty, MPI) stay off unless the package is already in the closure. Binary cache: cachix use dseams.

The flake on/off table lives on Nix.

Verify

seams --help
seams --version
seams --features

-Dwith_python=true and -Dwith_lua=enabled are Meson errors that name PydSEAMSlib and yodaStruct.