these 3 derivations will be built: /nix/store/6ab11ll6j3spw10wzvk4aq3cr2s2z7z6-python3-3.14.7-env.drv /nix/store/6p8lprn98ld33czps18s6nbw4xk7icpx-source.drv /nix/store/3mvnad0ffg8vy0q2aq22sv246sp3hh90-thermompnn-1.0-unstable-2026-09-09.drv these 2 paths will be fetched (2.5 MiB download, 14.1 MiB unpacked): /nix/store/7gddsfyp9bwb0m6iwd10ig7jr06xrv73-bin /nix/store/yrsf5ik2czl3x58x7vngy003dc00xsqc-python3.14-wandb-0.30.0 building '/nix/store/nz0yzzhkdjbp5r3h49mwr0fdx4i9yvqx-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/6ab11ll6j3spw10wzvk4aq3cr2s2z7z6-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 source> 0 0 0 0 0 0 0 0 0 source> 100 5.00M 0 5.00M 0 0 3.77M 0 00:01 4.94M source> 100 12.25M 0 12.25M 0 0 5.25M 0 00:02 6.08M source> 100 19.50M 0 19.50M 0 0 5.84M 0 00:03 6.45M source> 100 33.00M 0 33.00M 0 0 7.58M 0 00:04 8.17M source> 100 54.25M 0 54.25M 0 0 10.12M 0 00:05 10.75M source> 100 61.86M 0 61.86M 0 0 10.83M 0 00:05 10.75M source> 100 61.86M 0 61.86M 0 0 10.83M 0 00:05 10.75M source> 100 61.86M 0 61.86M 0 0 10.83M 0 00:05 10.75M source> unpacking source archive /build/download.tar.gz building '/nix/store/3mvnad0ffg8vy0q2aq22sv246sp3hh90-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/iia4w69zwad8lj6k2fs2zymaxd5n9pg1-thermompnn-1.0-unstable-2026-09-09 thermompnn-1.0-unstable-2026-09-09> checking for references to /build/ in /nix/store/iia4w69zwad8lj6k2fs2zymaxd5n9pg1-thermompnn-1.0-unstable-2026-09-09... thermompnn-1.0-unstable-2026-09-09> patching script interpreter paths in /nix/store/iia4w69zwad8lj6k2fs2zymaxd5n9pg1-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/iia4w69zwad8lj6k2fs2zymaxd5n9pg1-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/5wsilrgyf2l2p1g3hm7gwjgp1c4bqki1-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/5wsilrgyf2l2p1g3hm7gwjgp1c4bqki1-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=2026-09-26T21:13:34.976+09:00 level=INFO msg="Uploading 3 paths to niks3.sjanglab.org (166 already cached)" time=2026-09-26T21:13:34.976+09:00 level=INFO msg="Uploading iia4w69zwad8lj6k2fs2zymaxd5n9pg1-thermompnn-1.0-unstable-2026-09-09 (155.6MB)" time=2026-09-26T21:13:34.977+09:00 level=INFO msg="Uploading yrsf5ik2czl3x58x7vngy003dc00xsqc-python3.14-wandb-0.30.0 (14.1MB)" time=2026-09-26T21:13:34.978+09:00 level=INFO msg="Uploading 5wsilrgyf2l2p1g3hm7gwjgp1c4bqki1-python3-3.14.7-env (505.6KB)" time=2026-09-26T21:13:41.202+09:00 level=INFO msg="Uploading 3 narinfos" time=2026-09-26T21:13:41.721+09:00 level=INFO msg="Upload complete. (7.127s)"