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⚠️ TOML migration (2026-05) — Test directories now ship ctrlG.<sname>.toml + PB.toml as the canonical inputs (see migrated Samples/EPS/, Samples/PROCAR/, Samples/MLOsamples/, Samples/TestInstall/). Legacy ctrl,GWinput-only directories live under Samples/Legacy/ until converted with Legacy2toml.py <sname>. See TOML migration.

Test system testecalj (2025-10-8). ​

Our new test system is made from two files

SRC/exec
├── comp.py    utitities (functions to show difference of files) called from testecalj
└── testecalj   main program for test

  • Install test described in InstallAll.py is performed at ecalj/Samples/TestInstall.

  • We can run testecalj as >testecalj foobar, where foobar/ is the name of a test directory. testecalj creates foobar_work/ directory and do test in it.

  • foobar/ should contain initial settings (ctrlG.<sname>.toml + PB.toml; legacy ctrl,GWinput for un-migrated dirs) and files to be compared. In addition, we have to write test.py which describe schedules to run programs and to compare files. ecalj/Samples/TestInstall/foobar contains samples of test directories.

  • For any test directory foobar, we can perform the test by testecalj foobar. For example, Fe_magnon lives at ecalj/Samples/Legacy/Magnon/Fe_magnon (since the Magnon tree is awaiting TOML migration); a test.py exists in each Magnon sub-directory.

  • We can write your own test.py easily.

  • testecalj use binaries such as lmfa,lmf,qg4gw... in the directory containing the testecalj.

  • We can do only numerical comparison of files by

from comp import test2_check
testdir= "/home/takao/ecalj/Samples/Legacy/Magnon/Ni_magnon/"
workdir= "/home/takao/ecalj/Samples/Legacy/Magnon/Ni_magnon_work/"
dat='wan_ChiPMz.mat.syml1'
tall=test2_check(testdir+'/'+dat, workdir+'/'+dat,tol=0.01)

where, we need to import ecalj/SRC/exec/comp.py.

  • Samples/TestInstallにテストを移した。InstallAll.pyを実行するとテストではそこへ飛びます。個別実行もSamples/TestInstallで行います。どんなところにあるfoobar/に対してもその横にfoobar_work/をつくってそこでテストするようにしました。foobar/にはtest.pyをいれること
  • testecaljというコマンドを作った。51行の短いプログラム。これはバイナリのあるディレクトリBINDIRに入ります。使うバイナリはその同じディレクトリにあるものです。 たとえば Samples/Legacy/AHC/xxx にでも test.py を置けばテストできるはず (AHC は現状 Legacy 配下)。