diff --git a/examples/metatomic-plumed/environment.yml b/examples/metatomic-plumed/environment.yml index e70c9977..46f2b874 100644 --- a/examples/metatomic-plumed/environment.yml +++ b/examples/metatomic-plumed/environment.yml @@ -8,15 +8,17 @@ dependencies: - py-plumed-metatomic - lammps-metatomic - matplotlib + - libtorch==2.8 + - libmetatomic-torch==0.1.6 - pip: - --extra-index-url https://download.pytorch.org/whl/cpu - - torch==2.7.1 + - torch==2.8 - ase - numpy - chemiscope - - ipi>=3.1.5 - - metatomic[torch] - - featomic-torch<=0.7.0 + - ipi>=3.1.5 + - metatomic-torch==0.1.6 + - featomic[torch] variables: PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu PLUMED_KERNEL: $CONDA_PREFIX/lib/libplumedKernel.so