From 862fa35a02136b29532b1996572c7d5f1466dd4e Mon Sep 17 00:00:00 2001 From: "Haoyu (Daniel) YANG" Date: Thu, 3 Oct 2024 04:12:41 +0800 Subject: [PATCH] Install `BoltzTraP2` directly through `uv` (#4076) * pip install BoltzTraP2 * remove windows exclusion pin and see what happens * bump bt2 ver * skip bt2 for windows * bump bt2 ver again * still skip win for now as cannot build * give VS build tools a try * revert to skip windows * remove unnecessary venv activate --- .github/workflows/test.yml | 6 ------ pyproject.toml | 5 ++--- 2 files changed, 2 insertions(+), 9 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index ba8c3db7f0c..28a19a3cca7 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -89,12 +89,6 @@ jobs: - name: Install optional Ubuntu dependencies if: matrix.config.os == 'ubuntu-latest' 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 9a0fe0aae28..abc2635c875 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'", + # BoltzTraP2 build fails on Windows GitHub runners + "BoltzTraP2>=24.9.4 ; platform_system != 'Windows'", "chemview>=0.6", "chgnet>=0.3.8", "f90nml>=1.1.2",