[alamode] パッケージ完成: テスト・CI・ドキュメント追加(#155 候補) - #200
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apps/alamode already had the build scripts (config/default FFTW mode, config/intel MKL mode, manual binary-copy install) but no test, no CI coverage, and no docs entry. Complete it: - add runtest.sh + clean_test.sh (copied from the tenes template) and a test/test.sh smoke test asserting the alm/anphon binaries and the tools (analyze_phonons, dfc2, fc_virtual, parse_fcsxml, qe2alm) were installed - add alamode to the CI app matrix with a per-app override (.github/scripts/alamode.sh) that installs Boost/Eigen3/spglib and points SPGLIB_ROOT/FFTW3_ROOT at the system libs (the default preprocess requires them, as provided on ohtaka by the MateriApps spglib/fftw tools) - register alamode in the en/ja Sphinx appendix (toctree + README stub) ohtaka is in maintenance until 2026-07-14; CI (ubuntu, gfortran/g++ + boost/eigen3/spglib/fftw/lapack/openmpi) validates the build now, and the ohtaka Intel-oneAPI run (config/intel) will be added after maintenance. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01QaWKJsSQqCakkMEKZpJcvP
- config/{default,intel}/preprocess.sh: guard SPGLIB_ROOT (and FFTW3_ROOT
for the default FFTW build) with a clear ${VAR:?...} message instead of a
cryptic "unbound variable" crash under set -u when the deps are not set up
- sphinx: align the en/ja appendix summaries with apps/alamode/README*.md
The MateriApps en app/155 vs ja app/151 ids were both verified to resolve to
the ALAMODE page (the normal en/ja id difference), so they are left as-is.
Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01QaWKJsSQqCakkMEKZpJcvP
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AI レビューサイクル結果(Codex + Antigravity)CI(クリーンルーム・ビルド検証)ubuntu-24.04 / ubuntu-22.04 の両 Phase 1 — Codex(コード correctness)
Phase 2 — Antigravity(ドキュメント / ワークフロー)
補足(既存スクリプトの扱い)本 PR は既存の未完成 検証方針ohtaka は 2026-07-14 09:00 まで保守中のため CI(ubuntu クリーンルーム)で検証済み。保守明けに ohtaka の Intel oneAPI( Codex の must_fix・Antigravity の must_fix_docs はいずれも無し。指摘は対応済み/検証の上不要と判断。CI 再実行の結果を確認のうえ収束とします。 |
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概要
apps/alamodeは既にビルドスクリプト(config/defaultの FFTW モード、config/intelの MKL モード、CMake install ターゲットが無いため手動でバイナリをコピーする install)が存在していましたが、テスト・CI・ドキュメントが未整備でした。本 PR でそれらを補完し、#155 候補として完成させます。追加内容
runtest.sh+clean_test.sh(tenes テンプレート)とtest/test.sh(スモークテスト)。alm/anphonと各ツール(analyze_phonons,dfc2,fc_virtual,parse_fcsxml,qe2alm)が導入されたことを確認。alamodeを追加。per-app override.github/scripts/alamode.shで Boost / Eigen3 / spglib を導入し、SPGLIB_ROOT/FFTW3_ROOTをシステムライブラリに向ける(既存のconfig/default/preprocess.shがこれらを要求するため。ohtaka では MateriApps の spglib / fftw ツールが供給する想定)。app/155/ jaapp/151)。既存スクリプトについて
ビルド系(
config/default,config/intel,install.sh,download.shなど)は既存のものをそのまま尊重し、変更していません。ALAMODE は CMake の install ターゲットを実行ファイルに持たないため、config/default/install.shがbuild/alm/alm・build/anphon/anphon・build/tools/*を手動でコピーする設計になっており、これは上流の構成と整合しています。検証方針
ohtaka は 2026-07-14 09:00 まで保守中のため、本 PR は GitHub Actions(ubuntu, g++/gfortran + boost/eigen3/spglib/fftw/lapack/openmpi)でクリーンルーム・ビルド検証します。CI が通ることを確認後、保守明けに ohtaka の Intel oneAPI(
config/intel, MKL)での実機ビルドを追記します。🤖 Generated with Claude Code