these 3 derivations will be built:
  /nix/store/1nnaa5311d84wclx13kxnrb2aig2ibk7-source.drv
  /nix/store/ac3b9q1q2iy42hm17mpixx1nvskvys9h-python3-3.14.7-env.drv
  /nix/store/hprvqb2hdkkb3m4srvi99m51jwysvhld-thermompnn-1.0.0.drv
these 25 paths will be fetched (2.8 MiB download, 1.1 GiB unpacked):
  /nix/store/ypi15p0fya6lmj6g0814v4srz2xj4v8m-arrow-rs-wrapper-0.1.1
  /nix/store/208kwgxxym8iabdxbklz7377q8v635sv-pybind11-setup-hook
  /nix/store/ax5bvqlbxbdw48mxkgfm63rkxi7di6ln-python3.14-antlr4-python3-runtime-4.13.2
  /nix/store/yjxpzx86saj4dnqhhpvvcw4bli20rx9h-python3.14-deprecated-1.3.1
  /nix/store/p7mdbwl8jl5sisp2632k3glp0cqcgp90-python3.14-jsonargparse-4.50.0
  /nix/store/ziss2pchnmzs2jxq2lsijdb0vqig9pq3-python3.14-lightning-utilities-0.15.3
  /nix/store/3yj1ba3j3ahmlrahdvngf1yr306z497j-python3.14-mpmath-1.4.1
  /nix/store/1gcwzsnrpild6kwifcwd3c38i8k9zj91-python3.14-omegaconf-2.3.0
  /nix/store/ih2phbp1c6fkh8dpny6n4xhmrgif6ad3-python3.14-opentelemetry-api-1.43.0
  /nix/store/r6z9gpf274kalgidpldwsplqzmvh4ckv-python3.14-platformdirs-4.10.0
  /nix/store/jxlfw9j7m34skfkg9x3nnak5sa4wqmsd-python3.14-protobuf-7.35.1
  /nix/store/95801ymc6b6kn1i16a9zwzs9hcaap9pg-python3.14-pybind11-3.0.4
  /nix/store/nc1xc5q7m0dlcbk1r3wznpazjl3616wj-python3.14-pytorch-lightning-2.6.5
  /nix/store/fxcifzls5z77pi347axa0dvg51qnhdsn-python3.14-sentry-sdk-2.66.0
  /nix/store/s66dgwklk6rhkfkxmligg23ll1sjzgsv-python3.14-setproctitle-1.3.7
  /nix/store/lk08achbz824fbh7awawmqgsgvh8r2yc-python3.14-sympy-1.14.0
  /nix/store/33g70505sbxfggr7b99irv5hbgfd6shb-python3.14-torch-2.12.0
  /nix/store/mp6yphra1zh8ikrb4sxjc6i48wvbm80w-python3.14-torch-2.12.0-dev
  /nix/store/4jxkd33cj8rp0rb9jp1vrbs93xpbxap5-python3.14-torch-2.12.0-lib
  /nix/store/lwycfzi9n9pbqvckf8lxfagicvj15szf-python3.14-torchmetrics-1.9.0
  /nix/store/x4q74qc97krma65f4rqf6mx921bbrr8l-python3.14-triton-3.7.0
  /nix/store/qyggxvlsbs0park6c3hq38w4k6ipw9vl-python3.14-wandb-0.28.2
  /nix/store/f9qjcd7fhra0cpykvvrkhsql3v5mn7xv-python3.14-wrapt-2.2.2
  /nix/store/w4lllbzqc78f14br0z35i5xmkindmd3j-wandb-core-0.28.2
  /nix/store/vcg1gqsv968ymgmnnhzrg29bcsi5s7sc-wandb-xpu-0.7.1
building '/nix/store/ky7gcx6m26jw7hplsq1px08kz3lb8ddx-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  5.00M   0  5.00M   0      0  3.57M      0           00:01          4.92M
source> 100 12.25M   0 12.25M   0      0  5.08M      0           00:02          6.05M
source> 100 19.75M   0 19.75M   0      0  5.75M      0           00:03          6.48M
source> 100 33.55M   0 33.55M   0      0  7.57M      0           00:04          8.30M
source> 100 54.25M   0 54.25M   0      0  9.99M      0           00:05         10.75M
source> 100 61.81M   0 61.81M   0      0 10.68M      0           00:05         10.75M
source> 100 61.81M   0 61.81M   0      0 10.68M      0           00:05         10.75M
source> 100 61.81M   0 61.81M   0      0 10.68M      0           00:05         10.75M
source> unpacking source archive /build/download.tar.gz
building '/nix/store/ac3b9q1q2iy42hm17mpixx1nvskvys9h-python3-3.14.7-env.drv'
python3-3.14.7-env> structuredAttrs is enabled
python3-3.14.7-env> created 466 symlinks in user environment
building '/nix/store/hprvqb2hdkkb3m4srvi99m51jwysvhld-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/fbg574x67qazy9i2kny6d5788hvzf2r7-thermompnn-1.0.0
thermompnn-1.0.0> checking for references to /build/ in /nix/store/fbg574x67qazy9i2kny6d5788hvzf2r7-thermompnn-1.0.0...
thermompnn-1.0.0> patching script interpreter paths in /nix/store/fbg574x67qazy9i2kny6d5788hvzf2r7-thermompnn-1.0.0
thermompnn-1.0.0> stripping (with command strip and flags -S -p) in /nix/store/fbg574x67qazy9i2kny6d5788hvzf2r7-thermompnn-1.0.0/bin
thermompnn-1.0.0> Running phase: installCheckPhase
thermompnn-1.0.0> /nix/store/k3pl0dg66iwdbcyhrm61814qird94i4i-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/k3pl0dg66iwdbcyhrm61814qird94i4i-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=2026-08-22T21:16:15.929+09:00 level=INFO msg="Uploading 3 paths to niks3.sjanglab.org (144 already cached)"
time=2026-08-22T21:16:15.929+09:00 level=INFO msg="Uploading qyggxvlsbs0park6c3hq38w4k6ipw9vl-python3.14-wandb-0.28.2 (16.0MB)"
time=2026-08-22T21:16:15.929+09:00 level=INFO msg="Uploading k3pl0dg66iwdbcyhrm61814qird94i4i-python3-3.14.7-env (494.9KB)"
time=2026-08-22T21:16:15.930+09:00 level=INFO msg="Uploading fbg574x67qazy9i2kny6d5788hvzf2r7-thermompnn-1.0.0 (155.4MB)"
time=2026-08-22T21:16:25.149+09:00 level=INFO msg="Uploading 3 narinfos"
time=2026-08-22T21:16:25.735+09:00 level=INFO msg="Upload complete. (10.224s)"