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building '/nix/store/diqin0xjd91p1pnc8l07fwmcmg5i2vfh-source.drv'
source> structuredAttrs is enabled
source> 
source> trying https://github.com/Kuhlman-Lab/ThermoMPNN/archive/370f76ec62bd929f7425e311d8df04a0d094990f.tar.gz
source>   % Total    % Received % Xferd  Average Speed  Time    Time    Time   Current
source>                                  Dload  Upload  Total   Spent   Left   Speed
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source> 100  4.51M   0  4.51M   0      0  3.39M      0           00:01          4.47M
source> 100 11.75M   0 11.75M   0      0  4.98M      0           00:02          5.76M
source> 100 18.75M   0 18.75M   0      0  5.57M      0           00:03          6.16M
source> 100 30.57M   0 30.57M   0      0  7.00M      0           00:04          7.55M
source> 100 45.59M   0 45.59M   0      0  8.48M      0           00:05          9.02M
source> 100 61.86M   0 61.86M   0      0  9.98M      0           00:06          9.02M
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source> 100 61.86M   0 61.86M   0      0  9.98M      0           00:06          9.02M
source> unpacking source archive /build/download.tar.gz
building '/nix/store/pamkbfiv8raakqqgswr0aih5grb2p92q-python3-3.14.7-env.drv'
python3-3.14.7-env> structuredAttrs is enabled
python3-3.14.7-env> created 496 symlinks in user environment
building '/nix/store/k60mnfb7m5fqvjvjdcalxmcz8byqkri3-thermompnn-1.0-unstable-2026-09-09.drv'
thermompnn-1.0-unstable-2026-09-09> Running phase: unpackPhase
thermompnn-1.0-unstable-2026-09-09> unpacking source archive /nix/store/a1xiq0ksk7dwig89myp036pp931a13jq-source
thermompnn-1.0-unstable-2026-09-09> source root is source
thermompnn-1.0-unstable-2026-09-09> Running phase: patchPhase
thermompnn-1.0-unstable-2026-09-09> Running phase: updateAutotoolsGnuConfigScriptsPhase
thermompnn-1.0-unstable-2026-09-09> Running phase: configurePhase
thermompnn-1.0-unstable-2026-09-09> no configure script, doing nothing
thermompnn-1.0-unstable-2026-09-09> Running phase: buildPhase
thermompnn-1.0-unstable-2026-09-09> no Makefile or custom buildPhase, doing nothing
thermompnn-1.0-unstable-2026-09-09> Running phase: installPhase
thermompnn-1.0-unstable-2026-09-09> Running phase: fixupPhase
thermompnn-1.0-unstable-2026-09-09> shrinking RPATHs of ELF executables and libraries in /nix/store/0qg2wqbgkjg2g94i4l2l3s6lam5wb15p-thermompnn-1.0-unstable-2026-09-09
thermompnn-1.0-unstable-2026-09-09> checking for references to /build/ in /nix/store/0qg2wqbgkjg2g94i4l2l3s6lam5wb15p-thermompnn-1.0-unstable-2026-09-09...
thermompnn-1.0-unstable-2026-09-09> patching script interpreter paths in /nix/store/0qg2wqbgkjg2g94i4l2l3s6lam5wb15p-thermompnn-1.0-unstable-2026-09-09
thermompnn-1.0-unstable-2026-09-09> stripping (with command strip and flags -S -p) in /nix/store/0qg2wqbgkjg2g94i4l2l3s6lam5wb15p-thermompnn-1.0-unstable-2026-09-09/bin
thermompnn-1.0-unstable-2026-09-09> Running phase: installCheckPhase
thermompnn-1.0-unstable-2026-09-09> /nix/store/6jmglz1y0iaqb0jv1q7yydl0iqlgy3db-python3-3.14.7-env/lib/python3.14/site-packages/Bio/pairwise2.py:278: BiopythonDeprecationWarning: Bio.pairwise2 has been deprecated, and we intend to remove it in a future release of Biopython. As an alternative, please consider using Bio.Align.PairwiseAligner as a replacement, and contact the Biopython developers if you still need the Bio.pairwise2 module.
thermompnn-1.0-unstable-2026-09-09>   warnings.warn(
thermompnn-1.0-unstable-2026-09-09> /nix/store/6jmglz1y0iaqb0jv1q7yydl0iqlgy3db-python3-3.14.7-env/lib/python3.14/site-packages/torchmetrics/utilities/prints.py:43: UserWarning: Metric `SpearmanCorrcoef` will save all targets and predictions in the buffer. For large datasets, this may lead to large memory footprint.
thermompnn-1.0-unstable-2026-09-09>   warnings.warn(*args, **kwargs)
thermompnn-1.0-unstable-2026-09-09>           Model Dataset  ddG_pred position wildtype mutation   pdb chain
thermompnn-1.0-unstable-2026-09-09> 0    ThermoMPNN    test  0.133521        0        T        A  test     A
thermompnn-1.0-unstable-2026-09-09> 1    ThermoMPNN    test -0.127606        0        T        C  test     A
thermompnn-1.0-unstable-2026-09-09> 2    ThermoMPNN    test  0.535634        0        T        D  test     A
thermompnn-1.0-unstable-2026-09-09> 3    ThermoMPNN    test  0.383188        0        T        E  test     A
thermompnn-1.0-unstable-2026-09-09> 4    ThermoMPNN    test   0.00563        0        T        F  test     A
thermompnn-1.0-unstable-2026-09-09> ..          ...     ...       ...      ...      ...      ...   ...   ...
thermompnn-1.0-unstable-2026-09-09> 115  ThermoMPNN    test       0.0        5        S        S  test     A
thermompnn-1.0-unstable-2026-09-09> 116  ThermoMPNN    test  0.162641        5        S        T  test     A
thermompnn-1.0-unstable-2026-09-09> 117  ThermoMPNN    test  0.093034        5        S        V  test     A
thermompnn-1.0-unstable-2026-09-09> 118  ThermoMPNN    test  -0.29962        5        S        W  test     A
thermompnn-1.0-unstable-2026-09-09> 119  ThermoMPNN    test -0.202574        5        S        Y  test     A
thermompnn-1.0-unstable-2026-09-09> 
thermompnn-1.0-unstable-2026-09-09> [120 rows x 8 columns]
thermompnn-1.0-unstable-2026-09-09> Saved ThermoMPNN output to out/ThermoMPNN_inference_test.csv
thermompnn-1.0-unstable-2026-09-09> install check OK: 121 rows in out/ThermoMPNN_inference_test.csv
thermompnn-1.0-unstable-2026-09-09> installCheckPhase completed in 32 seconds

post-build step Route build to niks3: ok
Pushing SBEE-Lab/bioinformatics-toolkits to https://niks3.sjanglab.org
time=2026-10-03T21:14:42.408+09:00 level=INFO msg="Uploading 90 paths to niks3.sjanglab.org (82 already cached)"
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