From db40e05eaaa9b292a31877e713ba328d3365ebcf Mon Sep 17 00:00:00 2001 From: Janosh Riebesell Date: Thu, 7 Dec 2023 14:25:38 -0800 Subject: [PATCH] v0.3.3 --- .github/workflows/test.yml | 3 +++ pyproject.toml | 4 ++-- 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 2fba15ae..acaf8436 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -36,6 +36,9 @@ jobs: - name: Install dependencies run: | pip install cython + # install ase from main branch until FrechetCellFilter is release + # TODO remove pip install git+https://gitlab.com/ase/ase + pip install git+https://gitlab.com/ase/ase python setup.py build_ext --inplace pip install -e .[test] diff --git a/pyproject.toml b/pyproject.toml index f412c477..f3b018ef 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,14 +4,14 @@ build-backend = "setuptools.build_meta" [project] name = "chgnet" -version = "0.3.2" +version = "0.3.3" description = "Pretrained Universal Neural Network Potential for Charge-informed Atomistic Modeling" authors = [{ name = "Bowen Deng", email = "bowendeng@berkeley.edu" }] requires-python = ">=3.9" readme = "README.md" license = { text = "Modified BSD" } dependencies = [ - "ase@git+https://gitlab.com/ase/ase", + "ase", "cython>=0.29.26", "numpy>=1.21.6", "nvidia-ml-py3>=7.352.0",