these 3 derivations will be built:
  /nix/store/6hjj0w6qrsw1l5jpi4345pkycki5w87c-source.drv
  /nix/store/l3iy552m7vxyhvhy3b8swcbs8fs2dygr-python3-3.14.7-env.drv
  /nix/store/cc85iifq6w4w238xgh0rn3m2pbw42lqm-thermompnn-1.0.0.drv
these 34 paths will be fetched (246.3 MiB download, 1.2 GiB unpacked):
  /nix/store/m0h5j88qc509ar2m3vhxxwv4amawlvrw-arrow-rs-wrapper-0.1.1
  /nix/store/ghah007z8bwgkzfzsk40hhyqnbsrfk97-pybind11-setup-hook
  /nix/store/jjmza51mcyffpq8b8kkki335pf32a1qm-python3.14-antlr4-python3-runtime-4.13.2
  /nix/store/ppyqsav1381k9n0f1y5xdmyxslrmfi75-python3.14-deprecated-1.3.1
  /nix/store/21sw0iix33qyhghjnj1lkbl7pyzmrbny-python3.14-filelock-3.29.7
  /nix/store/irqlznrzx399vjxc22qfq1yv7civlnrk-python3.14-fsspec-2026.6.0
  /nix/store/zlndh73fdf5y4mxikkmrx0bfhdnki5x9-python3.14-importlib-metadata-9.0.0
  /nix/store/zg5dbkmgx8xzhlj1dbzc58fhrfbq58da-python3.14-jsonargparse-4.50.0
  /nix/store/9mxvqlsy0a4jmz5jdgg338bjcx5qq4xp-python3.14-lightning-utilities-0.15.3
  /nix/store/a49l87gjahrag1fj8z18n6lfggq10kvs-python3.14-mpmath-1.4.1
  /nix/store/j8fqzmnp5i8zc3s5430ypl2wyz40b15y-python3.14-omegaconf-2.3.0
  /nix/store/lgmxlb38fqm0ad0rnzg1vf1m219i4cxm-python3.14-opentelemetry-api-1.43.0
  /nix/store/q0h6ixa4mz9vxbfi0hh4h06jv9xrz5dd-python3.14-pandas-3.0.4
  /nix/store/mmd1n67dzj1s8d4a19mgf0wly6cdii9c-python3.14-platformdirs-4.10.0
  /nix/store/y5xcyv6l55hf57cvrvl6vy3kp1g4x0k5-python3.14-protobuf-7.35.1
  /nix/store/fjgfpsgjzx3zszjzfgzc8sgqaii9drm8-python3.14-pybind11-3.0.4
  /nix/store/fbx5132v158cla530mrf6wdkbpizm6q6-python3.14-pytorch-lightning-2.6.5
  /nix/store/1crz3lxxxj0yrj2y4b9263rb20lvh364-python3.14-pytz-2026.2
  /nix/store/7rsj80bazv4w9q4azdb6dk9pvim3nvhv-python3.14-sentry-sdk-2.66.0
  /nix/store/wghjj4fqq02jbymfw4xx267hj97aj4g6-python3.14-setproctitle-1.3.7
  /nix/store/3zlx10nf4db20nvmiyylvkk9wrsbb3as-python3.14-setuptools-83.0.0
  /nix/store/znr5qr3ivz3rsbizzy0bmi7hfsca2qnx-python3.14-sympy-1.14.0
  /nix/store/dzrd5ygkzxykwicpz495sgbprmpd97yb-python3.14-torch-2.12.0
  /nix/store/dzfkpnd1yxq296wblpgqkh1zh98743zl-python3.14-torch-2.12.0-dev
  /nix/store/ds8kmgacnw74bhgqn91jr27w652rrs2b-python3.14-torch-2.12.0-lib
  /nix/store/ddjdv1hwilplgxfpj20sx06kzw965i9q-python3.14-torchmetrics-1.9.0
  /nix/store/0bksfalic5kr2payqrh0y6b9rm60sj39-python3.14-tqdm-4.68.4
  /nix/store/xh6g3sadwg6mk7hj855c12pr240dcyfv-python3.14-triton-3.7.0
  /nix/store/r8c1slr05jm4ki1arl2vkcl1nnnbxpd8-python3.14-wandb-0.29.0
  /nix/store/68i7v18llarn45bnmyvsfhs1nhx4w302-python3.14-wrapt-2.2.2
  /nix/store/jn55d3932ia8scd6642a71gv3bivzd33-python3.14-xxhash-3.8.1
  /nix/store/mm2bj4cwvf2wls6g8im020nmik1wlcm5-python3.14-zipp-4.1.0
  /nix/store/qvk7h7g9f7g2ri0pv5wn3alim8y4iakr-wandb-core-0.29.0
  /nix/store/j2si3whbm4sk92smfyszr8ln827lki8k-wandb-xpu-0.7.1
building '/nix/store/309z5qskjk6imzpqxpfa9fq7y30rz8dv-source.drv'
source> structuredAttrs is enabled
source> 
source> trying https://github.com/Kuhlman-Lab/ThermoMPNN/archive/2b04fd370e399911b1fa5848112cc9013f084110.tar.gz
source>   % Total    % Received % Xferd  Average Speed  Time    Time    Time   Current
source>                                  Dload  Upload  Total   Spent   Left   Speed
source> 
source>   0      0   0      0   0      0      0      0                              0
source>   0      0   0      0   0      0      0      0                              0
source>   0      0   0      0   0      0      0      0                              0
source> 
source>   0      0   0      0   0      0      0      0                              0
source> 100  5.14M   0  5.14M   0      0  3.89M      0           00:01          5.14M
source> 100 12.25M   0 12.25M   0      0  5.28M      0           00:02          6.12M
source> 100 18.76M   0 18.76M   0      0  5.63M      0           00:03          6.23M
source> 100 30.87M   0 30.87M   0      0  7.12M      0           00:04          7.69M
source> 100 49.57M   0 49.57M   0      0  9.27M      0           00:05          9.87M
source> 100 61.81M   0 61.81M   0      0 10.40M      0           00:05          9.87M
source> 100 61.81M   0 61.81M   0      0 10.40M      0           00:05          9.87M
source> 100 61.81M   0 61.81M   0      0 10.40M      0           00:05          9.87M
source> unpacking source archive /build/download.tar.gz
building '/nix/store/l3iy552m7vxyhvhy3b8swcbs8fs2dygr-python3-3.14.7-env.drv'
python3-3.14.7-env> structuredAttrs is enabled
python3-3.14.7-env> created 468 symlinks in user environment
building '/nix/store/cc85iifq6w4w238xgh0rn3m2pbw42lqm-thermompnn-1.0.0.drv'
thermompnn-1.0.0> Running phase: unpackPhase
thermompnn-1.0.0> unpacking source archive /nix/store/nsvj3pba8f16cj3wn91gi2kcwnbhwvbk-source
thermompnn-1.0.0> source root is source
thermompnn-1.0.0> Running phase: patchPhase
thermompnn-1.0.0> Running phase: updateAutotoolsGnuConfigScriptsPhase
thermompnn-1.0.0> Running phase: configurePhase
thermompnn-1.0.0> no configure script, doing nothing
thermompnn-1.0.0> Running phase: buildPhase
thermompnn-1.0.0> no Makefile or custom buildPhase, doing nothing
thermompnn-1.0.0> Running phase: installPhase
thermompnn-1.0.0> Running phase: fixupPhase
thermompnn-1.0.0> shrinking RPATHs of ELF executables and libraries in /nix/store/waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0
thermompnn-1.0.0> checking for references to /build/ in /nix/store/waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0...
thermompnn-1.0.0> patching script interpreter paths in /nix/store/waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0
thermompnn-1.0.0> stripping (with command strip and flags -S -p) in /nix/store/waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0/bin
thermompnn-1.0.0> Running phase: installCheckPhase
thermompnn-1.0.0> /nix/store/i7hmws104c6dx6k99wnggd00m18x1m2s-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-1.0.0>   warnings.warn(
thermompnn-1.0.0> /nix/store/i7hmws104c6dx6k99wnggd00m18x1m2s-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-1.0.0>   warnings.warn(*args, **kwargs)
thermompnn-1.0.0>           Model Dataset  ddG_pred position wildtype mutation   pdb chain
thermompnn-1.0.0> 0    ThermoMPNN    test  0.133521        0        T        A  test     A
thermompnn-1.0.0> 1    ThermoMPNN    test -0.127606        0        T        C  test     A
thermompnn-1.0.0> 2    ThermoMPNN    test  0.535634        0        T        D  test     A
thermompnn-1.0.0> 3    ThermoMPNN    test  0.383188        0        T        E  test     A
thermompnn-1.0.0> 4    ThermoMPNN    test   0.00563        0        T        F  test     A
thermompnn-1.0.0> ..          ...     ...       ...      ...      ...      ...   ...   ...
thermompnn-1.0.0> 115  ThermoMPNN    test       0.0        5        S        S  test     A
thermompnn-1.0.0> 116  ThermoMPNN    test  0.162641        5        S        T  test     A
thermompnn-1.0.0> 117  ThermoMPNN    test  0.093034        5        S        V  test     A
thermompnn-1.0.0> 118  ThermoMPNN    test  -0.29962        5        S        W  test     A
thermompnn-1.0.0> 119  ThermoMPNN    test -0.202574        5        S        Y  test     A
thermompnn-1.0.0> 
thermompnn-1.0.0> [120 rows x 8 columns]
thermompnn-1.0.0> Saved ThermoMPNN output to out/ThermoMPNN_inference_test.csv
thermompnn-1.0.0> install check OK: 121 rows in out/ThermoMPNN_inference_test.csv

post-build step Route build to niks3: ok
Pushing SBEE-Lab/bioinformatics-toolkits to https://niks3.sjanglab.org
time=2026-09-06T17:47:30.320+09:00 level=INFO msg="Uploading 1 paths to niks3.sjanglab.org (147 already cached)"
time=2026-09-06T17:47:30.320+09:00 level=INFO msg="Uploading waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0 (155.4MB)"
time=2026-09-06T17:47:37.965+09:00 level=INFO msg="Upload complete. (9.345s)"