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feat: add workflow for bte#117

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ZeHeru:yuzhu/test
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feat: add workflow for bte#117
ZeHeru wants to merge 1 commit intomicrosoft:mainfrom
ZeHeru:yuzhu/test

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@ZeHeru ZeHeru commented Jun 9, 2025

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@ZeHeru ZeHeru requested a review from yanghan234 June 9, 2025 02:40
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ZeHeru commented Jun 9, 2025

@microsoft-github-policy-service agree

yanghan234 pushed a commit that referenced this pull request Apr 22, 2026
Original PR: #117 by @ZeHeru

Co-authored-by: v-yuzhu1 <v-yuzhu1@microsoft.com>
Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>
yanghan234 added a commit that referenced this pull request Apr 22, 2026
* feat: add workflow for BTE thermal conductivity

Original PR: #117 by @ZeHeru

Co-authored-by: v-yuzhu1 <v-yuzhu1@microsoft.com>
Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>

* test: add BTE thermal conductivity tests with reference values

Co-authored-by: v-yuzhu1 <v-yuzhu1@microsoft.com>
Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>

* deps: add phono3py to dependencies for BTE workflow

Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>

* ci: switch from micromamba to uv for test workflow

Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>

* ci: include dev extras for pytest in uv run

Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>

* refactor: rename fixtures for clarity

- device -> available_device (parametrized across all devices)
- mattersim_calc -> mattersim_calc_best_device
- _available_devices -> available_devices (public)

Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>

* chore: remove encoding declaration from bte.py

Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>

---------

Co-authored-by: v-yuzhu1 <v-yuzhu1@microsoft.com>
Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>
@yanghan234 yanghan234 closed this Apr 22, 2026
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2 participants