these 3 derivations will be built: /nix/store/6p8lprn98ld33czps18s6nbw4xk7icpx-source.drv /nix/store/v96qjp9gcaz6wjdnkk7554841i9jjkif-python3-3.14.7-env.drv /nix/store/4fkr6q1brb3pknkizlff2plpv46yih8r-thermompnn-1.0-unstable-2026-09-09.drv these 48 paths will be fetched (348.5 MiB download, 1.6 GiB unpacked): /nix/store/iqvb7h1ykhm12304qwx17xbncrhhy1g4-abseil-cpp-20260107.1 /nix/store/0gyk1hdw37b47p2pra40hjf7xzl312lf-abseil-cpp-20260107.1-dev /nix/store/80nigsjyg1ajd1i8mm00algbvbk7ic0h-arrow-rs-wrapper-0.1.1 /nix/store/n81x7qakspm4bnm9q8cjdgjvvx6h691v-grpc-1.83.0 /nix/store/gafnydsf07whdxkr3mgwr81jrv2lzfl4-libpfm-4.13.0 /nix/store/9z4xpp5vr7zs4yw11byfxn76qpb5jghw-ncurses-6.6-dev /nix/store/4hdzvycn5mkg3xm1ggscp3mxz8005c3m-protobuf-36.1 /nix/store/h2xyy3g0pv5zdszdhqgg6ffa3x0mhh4s-pybind11-setup-hook /nix/store/ahr8rdjk9mq59p91sc7ln1yb74x79hix-python3.14-antlr4-python3-runtime-4.13.2 /nix/store/lnbh5f2aq3aq51lp7yvzpgc10w94aq8w-python3.14-deprecated-1.3.1 /nix/store/yj33qpknmgh7ykx0bbfiriv0043qbc1y-python3.14-filelock-3.29.7 /nix/store/4p3mnnmkls5y6xzmf5l4cgm6i5q5mhrm-python3.14-fsspec-2026.6.0 /nix/store/dis3ksj4af0giri9j2wacn0ynhbj8j5d-python3.14-googleapis-common-protos-1.73.0 /nix/store/i746d6pwphqrwkzff6g2z80h0pc0lxkw-python3.14-importlib-metadata-9.0.0 /nix/store/2kf9h77k8dsx0imdd6if3iqzbc67h7ml-python3.14-jsonargparse-4.50.0 /nix/store/8sib88r7zp33gbsijv6k3bzjlla5blz1-python3.14-lightning-utilities-0.15.3 /nix/store/xmbjmc6yds310vlz4s4jnxk21jrax7jp-python3.14-lit-18.1.8 /nix/store/dfysxwz0z414v2b5jqniqgl6z2k20644-python3.14-mpmath-1.4.1 /nix/store/l4wrvj5q60pd47mcxiv4ds7iznlk2lv5-python3.14-omegaconf-2.3.0 /nix/store/4qjmq6kki06ai3h36bcl6r9n06w7ra41-python3.14-opentelemetry-api-1.43.0 /nix/store/iq0dr83pffg4v6j96sbnv3mrnsbbpj8w-python3.14-opentelemetry-exporter-otlp-proto-common-1.43.0 /nix/store/nl0f0frlpb22djrvhxnnmm0jjbqpkggr-python3.14-opentelemetry-exporter-otlp-proto-http-1.43.0 /nix/store/lx0z1wk591qq5nn5lv7vrffysq0f10xd-python3.14-opentelemetry-proto-1.43.0 /nix/store/6pfgs4gsn4b7svc58d8ihg0665fifhrx-python3.14-opentelemetry-sdk-1.43.0 /nix/store/mdxkv78nzacfq4ysfc8w3in1ay48n1yr-python3.14-opentelemetry-semantic-conventions-0.64b0 /nix/store/vr9ch3dj73czxc945d4a946c4r64z0ly-python3.14-pandas-3.0.4 /nix/store/scagbfldzmb8s5yy05snkfhrffs6v13j-python3.14-platformdirs-4.10.0 /nix/store/084cdbclg41pparyyk9d5ki96zpdybmc-python3.14-protobuf-7.36.1 /nix/store/plnh12ax5wvg9lbik80w994h0ls9wpfa-python3.14-pybind11-3.0.4 /nix/store/gw3lsz0w4vsy9g5v3rk83wdpxxnd2w2s-python3.14-pytorch-lightning-2.6.6 /nix/store/n8lwavdxjabcl0g6p0gs82qfl7bivlr5-python3.14-pytz-2026.2 /nix/store/s0d20lsvvr3j1rczbmk5varci42a0j7j-python3.14-setproctitle-1.3.7 /nix/store/h25q29qx69xjqd1dln7i45fgppwwpyhh-python3.14-sympy-1.14.0 /nix/store/3ypj6650ckc3h2dpdapw5l8kp58zz382-python3.14-torch-2.13.0 /nix/store/wrhn7adx4srh1m3k9vwqhih3qv6brfmy-python3.14-torch-2.13.0-dev /nix/store/53gnrxgadjkxqdvbnfqx7v227fzxw6a0-python3.14-torch-2.13.0-lib /nix/store/79v1jdld86asxw8n1d4blqqkf1s50dwh-python3.14-torchmetrics-1.9.0 /nix/store/341xpm2l24jn1b92xmqprxvjlnvxj4q2-python3.14-tqdm-4.68.4 /nix/store/z1c3si6w01lmrma9rgf1dva5y2n0bbm9-python3.14-triton-3.7.1 /nix/store/3hxjrgd4cs78yrjnpbxzk7jlp6ldc8bn-python3.14-wandb-0.30.0 /nix/store/ky5pxydd28p9l5l7d7qp5rx7qq967k6p-python3.14-wrapt-2.2.2 /nix/store/kzl3s02ba2215lhkavd596qw56bylhhj-python3.14-xxhash-3.8.1 /nix/store/j65imq90nn998dpbd8qwhwy6svmsb982-python3.14-zipp-4.1.0 /nix/store/9img9qgpa4j9fcinpx1zsy4ffd6mapmg-re2-2025-11-05 /nix/store/wiywxpwi2ybx3dri5w375k5n8r04cwpg-re2-2025-11-05-dev /nix/store/5ir3bbxm9nbg8a3knhppv7w3hnakv3f5-triton-llvm-23.0.0-unstable-2026-06-16 /nix/store/s7cfrhf53gbgi9706fmcr0bm6bnw1f0j-wandb-core-0.30.0 /nix/store/p3mi2rn4q6v25lib49lly31kwxwz0dsw-wandb-xpu-0.7.1 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> source> 0 0 0 0 0 0 0 0 0 source> 4 61.86M 4 3.05M 0 0 2.21M 0 00:27 00:01 00:26 3.03M source> 41 61.86M 41 25.50M 0 0 10.71M 0 00:05 00:02 00:03 12.68M source> 82 61.86M 82 50.77M 0 0 14.45M 0 00:04 00:03 00:01 16.14M source> 100 61.86M 100 61.86M 0 0 15.64M 0 00:03 00:03 16.14M source> 100 61.86M 100 61.86M 0 0 15.64M 0 00:03 00:03 16.14M source> 100 61.86M 100 61.86M 0 0 15.64M 0 00:03 00:03 16.14M source> unpacking source archive /build/download.tar.gz building '/nix/store/v96qjp9gcaz6wjdnkk7554841i9jjkif-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/4fkr6q1brb3pknkizlff2plpv46yih8r-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/kqa4ain5fl8shp9xjwf6ig0r7pmjvsdg-thermompnn-1.0-unstable-2026-09-09 thermompnn-1.0-unstable-2026-09-09> checking for references to /build/ in /nix/store/kqa4ain5fl8shp9xjwf6ig0r7pmjvsdg-thermompnn-1.0-unstable-2026-09-09... thermompnn-1.0-unstable-2026-09-09> patching script interpreter paths in /nix/store/kqa4ain5fl8shp9xjwf6ig0r7pmjvsdg-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/kqa4ain5fl8shp9xjwf6ig0r7pmjvsdg-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/qdbr9cp7znwi1sds6m9lrab4kfrgvifs-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/qdbr9cp7znwi1sds6m9lrab4kfrgvifs-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 58 seconds post-build step Route build to niks3: ok Pushing SBEE-Lab/bioinformatics-toolkits to https://niks3.sjanglab.org time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading 86 paths to niks3.sjanglab.org (83 already cached)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading mdxkv78nzacfq4ysfc8w3in1ay48n1yr-python3.14-opentelemetry-semantic-conventions-0.64b0 (1.9MB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading bmffbz1sbxg0fpqa7ca2hccrkv1ppnkr-python3.14-click-8.3.3 (1.4MB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading j65imq90nn998dpbd8qwhwy6svmsb982-python3.14-zipp-4.1.0 (90.2KB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading vr9ch3dj73czxc945d4a946c4r64z0ly-python3.14-pandas-3.0.4 (96.2MB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading lnbh5f2aq3aq51lp7yvzpgc10w94aq8w-python3.14-deprecated-1.3.1 (92.2KB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading myzky7hls40whk2zlk373438pql4rcgv-python3.14-aiohappyeyeballs-2.7.1 (95.6KB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading nl0f0frlpb22djrvhxnnmm0jjbqpkggr-python3.14-opentelemetry-exporter-otlp-proto-http-1.43.0 (206.9KB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading 7jpv8pfyi49jywd517wm4p20wkrdm71s-python3.14-certifi-2026.06.17 (482.9KB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading z1c3si6w01lmrma9rgf1dva5y2n0bbm9-python3.14-triton-3.7.1 (30.4MB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading ahr8rdjk9mq59p91sc7ln1yb74x79hix-python3.14-antlr4-python3-runtime-4.13.2 (1.5MB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading p3mi2rn4q6v25lib49lly31kwxwz0dsw-wandb-xpu-0.7.1 (6.1MB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading lx0z1wk591qq5nn5lv7vrffysq0f10xd-python3.14-opentelemetry-proto-1.43.0 (404.4KB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading hz6i440jv0jcdk0r1ngdna0y50nna4xw-python3.14-multidict-6.7.1 (366.6KB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading l4wrvj5q60pd47mcxiv4ds7iznlk2lv5-python3.14-omegaconf-2.3.0 (1.5MB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading 2bcvqa8swvhwhakryyd7gahsklhnabdi-python3.14-networkx-3.6.1 (22.8MB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading n8lwavdxjabcl0g6p0gs82qfl7bivlr5-python3.14-pytz-2026.2 (2.6MB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading scagbfldzmb8s5yy05snkfhrffs6v13j-python3.14-platformdirs-4.10.0 (464.5KB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading 0si947ga7fvla3ivyfxv5cycchi1367y-python3.14-yarl-1.24.5 (569.9KB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading 6jp9kzs15wavgjh1ir094ryii18yrb7j-python3.14-tzdata-2026.3 (713.8KB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading 2iq3nqnx6snkw9zxz5ijh6w0baj1abgj-python3.14-aiosignal-1.4.0 (27.2KB)" time=2026-09-21T21:18:14.904+09:00 level=INFO msg="Uploading 0gyk1hdw37b47p2pra40hjf7xzl312lf-abseil-cpp-20260107.1-dev (4.0MB)" time=2026-09-21T21:18:14.905+09:00 level=INFO msg="Uploading sykhq7dvvwl5h25wrndqilpdc0fwjacs-python3.14-pycares-5.0.1 (632.1KB)" time=2026-09-21T21:18:14.905+09:00 level=INFO msg="Uploading i746d6pwphqrwkzff6g2z80h0pc0lxkw-python3.14-importlib-metadata-9.0.0 (288.0KB)" time=2026-09-21T21:18:14.905+09:00 level=INFO msg="Uploading 7h1zvzvni9y5drpvirwpwbl8cz9zgav4-python3.14-propcache-0.5.2 (155.4KB)" time=2026-09-21T21:18:14.905+09:00 level=INFO msg="Uploading 53gnrxgadjkxqdvbnfqx7v227fzxw6a0-python3.14-torch-2.13.0-lib (363.7MB)" time=2026-09-21T21:18:14.905+09:00 level=INFO msg="Uploading ky5pxydd28p9l5l7d7qp5rx7qq967k6p-python3.14-wrapt-2.2.2 (680.0KB)" time=2026-09-21T21:18:14.905+09:00 level=INFO msg="Uploading xmbjmc6yds310vlz4s4jnxk21jrax7jp-python3.14-lit-18.1.8 (1.0MB)" time=2026-09-21T21:18:14.903+09:00 level=INFO msg="Uploading bv2x29cb7d43hhmm66iwbdsiwsszxh7x-python3.14-pydantic-2.13.4 (6.1MB)" time=2026-09-21T21:18:15.493+09:00 level=INFO msg="Uploading krrc8cm978mgc9hdm1mlzq82cyw5vb0b-python3.14-jinja2-3.1.6 (2.1MB)" time=2026-09-21T21:18:15.518+09:00 level=INFO msg="Uploading h43nxqdv8998cb3kvn9ancryizn23f5k-python3.14-pycparser-3.00 (736.3KB)" time=2026-09-21T21:18:15.983+09:00 level=INFO msg="Uploading zs9rv6733i7lkkqiqgjgvpv3fvpzvbv2-python3.14-brotli-1.2.0 (48.9KB)" time=2026-09-21T21:18:16.013+09:00 level=INFO msg="Uploading iq0dr83pffg4v6j96sbnv3mrnsbbpj8w-python3.14-opentelemetry-exporter-otlp-proto-common-1.43.0 (147.8KB)" time=2026-09-21T21:18:16.042+09:00 level=INFO msg="Uploading 4hdzvycn5mkg3xm1ggscp3mxz8005c3m-protobuf-36.1 (19.4MB)" time=2026-09-21T21:18:16.043+09:00 level=INFO msg="Uploading gafnydsf07whdxkr3mgwr81jrv2lzfl4-libpfm-4.13.0 (6.4MB)" time=2026-09-21T21:18:16.045+09:00 level=INFO msg="Uploading plnh12ax5wvg9lbik80w994h0ls9wpfa-python3.14-pybind11-3.0.4 (11.7MB)" time=2026-09-21T21:18:16.084+09:00 level=INFO msg="Uploading h2xyy3g0pv5zdszdhqgg6ffa3x0mhh4s-pybind11-setup-hook (1.0KB)" time=2026-09-21T21:18:16.091+09:00 level=INFO msg="Uploading iqvb7h1ykhm12304qwx17xbncrhhy1g4-abseil-cpp-20260107.1 (3.3MB)" time=2026-09-21T21:18:16.111+09:00 level=INFO msg="Uploading yj33qpknmgh7ykx0bbfiriv0043qbc1y-python3.14-filelock-3.29.7 (535.2KB)" time=2026-09-21T21:18:16.115+09:00 level=INFO msg="Uploading vh9r5gv4ri03m0c31yrm5pq497v89cqs-python3.14-toml-0.10.2 (195.5KB)" time=2026-09-21T21:18:16.136+09:00 level=INFO msg="Uploading 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time=2026-09-21T21:18:18.571+09:00 level=INFO msg="Uploading 9img9qgpa4j9fcinpx1zsy4ffd6mapmg-re2-2025-11-05 (590.2KB)" time=2026-09-21T21:18:18.578+09:00 level=INFO msg="Uploading 9z4xpp5vr7zs4yw11byfxn76qpb5jghw-ncurses-6.6-dev (383.1KB)" time=2026-09-21T21:18:34.203+09:00 level=INFO msg="Uploading 86 narinfos" time=2026-09-21T21:18:36.381+09:00 level=INFO msg="Upload complete. 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