From cdb1d3dd96a5fb72eb94ee49ec706864bc849a8e Mon Sep 17 00:00:00 2001 From: frostedoyster Date: Sat, 3 Aug 2024 06:27:01 +0200 Subject: [PATCH] Upgrade to `metatensor-torch` 0.5.3 --- pyproject.toml | 2 +- src/metatrain/cli/train.py | 3 --- 2 files changed, 1 insertion(+), 4 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index dfdb38595..2c1d7c747 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -12,7 +12,7 @@ dependencies = [ "ase < 3.23.0", "metatensor-learn==0.2.2", "metatensor-operations==0.2.1", - "metatensor-torch==0.5.2", + "metatensor-torch==0.5.3", "jsonschema", "omegaconf", "python-hostlist", diff --git a/src/metatrain/cli/train.py b/src/metatrain/cli/train.py index 11026e265..e567b5c87 100644 --- a/src/metatrain/cli/train.py +++ b/src/metatrain/cli/train.py @@ -382,9 +382,6 @@ def train_model( mts_atomistic_model.buffers(), ) ).device - # always save on CPU. TODO: remove after release of - # https://github.com/lab-cosmo/metatensor/pull/668 - mts_atomistic_model = mts_atomistic_model.to("cpu") mts_atomistic_model.save(str(output_checked), collect_extensions=extensions_path) # the model is first saved and then reloaded 1) for good practice and 2) because # MetatensorAtomisticModel only torchscripts (makes faster) during save()