Skip to content

Commit

Permalink
Update metatensor-torch & rascaline-torch
Browse files Browse the repository at this point in the history
  • Loading branch information
Luthaf committed Sep 3, 2024
1 parent 38efd99 commit d3e286e
Show file tree
Hide file tree
Showing 2 changed files with 5 additions and 5 deletions.
2 changes: 1 addition & 1 deletion MANIFEST.in
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
graft src

include LICENSE
include README.md
include README.rst

prune developer
prune docs
Expand Down
8 changes: 4 additions & 4 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ name = "metatrain"
dynamic = ["version"]
requires-python = ">=3.9"

readme = "README.md"
readme = "README.rst"
license = {text = "BSD-3-Clause"}
description = "Training and evaluating machine learning models for atomistic systems."
authors = [{name = "metatrain developers"}]
Expand All @@ -12,7 +12,7 @@ dependencies = [
"ase < 3.23.0",
"metatensor-learn==0.2.3",
"metatensor-operations==0.2.3",
"metatensor-torch==0.5.4",
"metatensor-torch==0.5.5",
"jsonschema",
"omegaconf",
"python-hostlist",
Expand Down Expand Up @@ -58,7 +58,7 @@ build-backend = "setuptools.build_meta"

[project.optional-dependencies]
soap-bpnn = [
"rascaline-torch @ git+https://github.com/luthaf/rascaline@e215461#subdirectory=python/rascaline-torch",
"rascaline-torch @ git+https://github.com/luthaf/rascaline@d181b28#subdirectory=python/rascaline-torch",
]
alchemical-model = [
"torch_alchemical @ git+https://github.com/abmazitov/torch_alchemical.git@51ff519",
Expand All @@ -67,7 +67,7 @@ pet = [
"pet @ git+https://github.com/spozdn/pet.git@1a470c4",
]
gap = [
"rascaline-torch @ git+https://github.com/luthaf/rascaline@e215461#subdirectory=python/rascaline-torch",
"rascaline-torch @ git+https://github.com/luthaf/rascaline@d181b28#subdirectory=python/rascaline-torch",
"skmatter",
"metatensor-learn",
"scipy",
Expand Down

0 comments on commit d3e286e

Please sign in to comment.