these 3 derivations will be built:
  /nix/store/63zcsqy35y1j0ysa93s1a6pg4yqnj1di-python3-3.14.7-env.drv
  /nix/store/zhgyxp3icbhif7997zs6c2d50kjlr91f-source.drv
  /nix/store/qkh49bny7rb8wdr229a69kip311k0d57-thermompnn-1.0-unstable-2026-09-09.drv
these 3 paths will be fetched (5.8 MiB download, 36.9 MiB unpacked):
  /nix/store/hk9jgcw3mlq8y1i3px6349619ib0krw6-python3.14-pytorch-lightning-2.6.5
  /nix/store/s8q02pmqvc2dl9k8y5kvl1n5zk5jp4xa-python3.14-torchmetrics-1.9.0
  /nix/store/h23v0y9fwl9in9gx1jh4mincypg2nslj-python3.14-wandb-0.29.0
building '/nix/store/hj8x6wb926w2lkzhxwgw3hl54vxg1kzp-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
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> 
building '/nix/store/63zcsqy35y1j0ysa93s1a6pg4yqnj1di-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
source>   0      0   0      0   0      0      0      0                              0
source> 100  5.25M   0  5.25M   0      0  3.90M      0           00:01          5.16M
source> 100 12.50M   0 12.50M   0      0  5.10M      0           00:02          5.89M
source> 100 20.65M   0 20.65M   0      0  5.98M      0           00:03          6.61M
source> 100 35.25M   0 35.25M   0      0  7.91M      0           00:04          8.54M
source> 100 55.48M   0 55.48M   0      0 10.16M      0           00:05         10.81M
source> 100 61.86M   0 61.86M   0      0 10.79M      0           00:05         10.81M
source> 100 61.86M   0 61.86M   0      0 10.79M      0           00:05         10.81M
source> 100 61.86M   0 61.86M   0      0 10.79M      0           00:05         10.81M
source> unpacking source archive /build/download.tar.gz
building '/nix/store/qkh49bny7rb8wdr229a69kip311k0d57-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/spv84n7n1b8pv0c6q421hr0yhv9mbk3g-thermompnn-1.0-unstable-2026-09-09
thermompnn-1.0-unstable-2026-09-09> checking for references to /build/ in /nix/store/spv84n7n1b8pv0c6q421hr0yhv9mbk3g-thermompnn-1.0-unstable-2026-09-09...
thermompnn-1.0-unstable-2026-09-09> patching script interpreter paths in /nix/store/spv84n7n1b8pv0c6q421hr0yhv9mbk3g-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/spv84n7n1b8pv0c6q421hr0yhv9mbk3g-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/xz8z7pzyp7wrriddiimrmsyyhmch62hz-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/xz8z7pzyp7wrriddiimrmsyyhmch62hz-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

post-build step Route build to niks3: ok
Pushing SBEE-Lab/bioinformatics-toolkits to https://niks3.sjanglab.org
time=2026-09-12T21:13:27.767+09:00 level=INFO msg="Uploading 14 paths to niks3.sjanglab.org (143 already cached)"
time=2026-09-12T21:13:27.767+09:00 level=INFO msg="Uploading v28251rn725b66dflqc7ikxksl6k9wxc-wandb-core-0.29.0 (75.4MB)"
time=2026-09-12T21:13:27.767+09:00 level=INFO msg="Uploading 9ldv0wr3mskyg5kmqns32fhmfz52b31i-triton-llvm-23.0.0-unstable-2026-06-16 (541.4MB)"
time=2026-09-12T21:13:27.767+09:00 level=INFO msg="Uploading 96jn56sjvj37198y17dx5gz6hdnj1h85-python3.14-torch-2.13.0-lib (363.7MB)"
time=2026-09-12T21:13:27.767+09:00 level=INFO msg="Uploading spv84n7n1b8pv0c6q421hr0yhv9mbk3g-thermompnn-1.0-unstable-2026-09-09 (155.6MB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading fpn0f4h6ivgs9aqarlj16xad4ivlbm9b-python3.14-torch-2.13.0-dev (38.1MB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading a8mp9qnqlf7l00myf0vjxmcxwlr7fj00-python3.14-triton-3.7.1 (30.4MB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading h23v0y9fwl9in9gx1jh4mincypg2nslj-python3.14-wandb-0.29.0 (16.1MB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading jjxapx0kyfnmminwiqc39iw4w27jzy2v-python3.14-torch-2.13.0 (215.6MB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading hk9jgcw3mlq8y1i3px6349619ib0krw6-python3.14-pytorch-lightning-2.6.5 (9.2MB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading s8q02pmqvc2dl9k8y5kvl1n5zk5jp4xa-python3.14-torchmetrics-1.9.0 (11.5MB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading 0wiwwmnaj5bqmv14riwpixsh6m0z2sr1-python3.14-lit-18.1.8 (1.0MB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading wqqcaj37fsa7bxrkh9l2my04lfwhw415-ncurses-6.6-dev (383.1KB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading xz8z7pzyp7wrriddiimrmsyyhmch62hz-python3-3.14.7-env (494.9KB)"
time=2026-09-12T21:13:27.768+09:00 level=INFO msg="Uploading f6yh7qhkhgzjfj91ydv6irak4ciralqq-ncurses-6.6-man (652.8KB)"
time=2026-09-12T21:13:39.705+09:00 level=INFO msg="Uploading 14 narinfos"
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