From 018f6449c37b2107b240cdbf2f5b36e0eb55e1b0 Mon Sep 17 00:00:00 2001 From: "Haoyu (Daniel)" Date: Mon, 23 Sep 2024 17:37:21 +0800 Subject: [PATCH] pip install BoltzTraP2 --- .github/workflows/test.yml | 4 ---- pyproject.toml | 5 ++--- 2 files changed, 2 insertions(+), 7 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index ba8c3db7f0c..f08bcf7a183 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -91,10 +91,6 @@ jobs: run: | micromamba activate pmg - # TODO: uv cannot install BoltzTraP2 at this moment, - # track https://gitlab.com/sousaw/BoltzTraP2/-/merge_requests/21 - pip install BoltzTraP2 - # Install BoltzTraP wget -q -O BoltzTraP.tar.bz2 https://owncloud.tuwien.ac.at/index.php/s/s2d55LYlZnioa3s/download tar -jxf BoltzTraP.tar.bz2 diff --git a/pyproject.toml b/pyproject.toml index da140f80709..874d84fe91c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -101,9 +101,8 @@ docs = ["invoke", "sphinx", "sphinx_markdown_builder", "sphinx_rtd_theme"] optional = [ "ase>=3.23.0", "beautifulsoup4", - # TODO: uv cannot install BoltzTraP2 at this moment - # track https://gitlab.com/sousaw/BoltzTraP2/-/merge_requests/21 - # "BoltzTraP2>=24.7.2 ; platform_system != 'Windows'", + # TODO: why exclude windows for BoltzTraP2? + "BoltzTraP2>=24.9.1 ; platform_system != 'Windows'", "chemview>=0.6", "chgnet>=0.3.8", "f90nml>=1.1.2",