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Install BoltzTraP2 directly through uv (#4076)
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* 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
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DanielYang59 authored Oct 2, 2024
1 parent 4c76b58 commit 862fa35
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6 changes: 0 additions & 6 deletions .github/workflows/test.yml
Original file line number Diff line number Diff line change
Expand Up @@ -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
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5 changes: 2 additions & 3 deletions pyproject.toml
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Expand Up @@ -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",
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