Publish licensing audit and Docker Hub digests for tasks 077-090 (part 3)

tasks/task_082/tests/Dockerfile

@@ -1,2 +1,2 @@
-ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-082:v0.1.0@sha256:a829af72c8e716a904d83a590a865d07a7b9a31a8d4b7083afbf90b6611a937c
+ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-082:v0.1.1@sha256:44182cef33ab2fc2d8d48a03e265e4e0b02fa9d058c50442e2d1664415e056ba
 FROM ${VERIFIER_IMAGE}

tasks/task_083/environment/Dockerfile

@@ -1,4 +1,4 @@
-ARG BASE_IMAGE=python:3.11-slim
+ARG BASE_IMAGE=python:3.12-slim
 FROM ${BASE_IMAGE}
 
 ARG DEBIAN_MIRROR=https://mirrors.tuna.tsinghua.edu.cn/debian

tasks/task_083/task.toml

@@ -17,7 +17,7 @@ network_mode = "no-network"
 timeout_sec = 5400.0
 
 [environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-083:v0.1.0@sha256:9483e6962b892e928f5f1e1c608d646d2d35c5899da15f57fa7bc8c23bd2e14f"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-083:v0.1.1@sha256:67c242e115420f16eb9e9bab09c8c7feeac2ed61f71ce493f4133ff9cff9ed3c"
 os = "linux"
 allow_internet = false
 cpus = 2
@@ -31,7 +31,7 @@ environment_mode = "separate"
 timeout_sec = 1800.0
 
 [verifier.environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-083:v0.1.0@sha256:a1c0f1dabd6d4c334c815cb398eda399fbb8b7739b7b5ec60ea8abb1882b7727"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-083:v0.1.1@sha256:805c263e506a34e81845de31330a863db80376580715a08d4b4c23f9354d911e"
 os = "linux"
 allow_internet = false
 cpus = 2

tasks/task_083/tests/Dockerfile

@@ -1,2 +1,2 @@
-ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-083:v0.1.0@sha256:a1c0f1dabd6d4c334c815cb398eda399fbb8b7739b7b5ec60ea8abb1882b7727
+ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-083:v0.1.1@sha256:805c263e506a34e81845de31330a863db80376580715a08d4b4c23f9354d911e
 FROM ${VERIFIER_IMAGE}

tasks/task_084/environment/Dockerfile

@@ -1,4 +1,4 @@
-ARG BASE_IMAGE=python:3.11-slim
+ARG BASE_IMAGE=python:3.12-slim
 FROM ${BASE_IMAGE}
 
 ARG DEBIAN_MIRROR=https://mirrors.tuna.tsinghua.edu.cn/debian

tasks/task_084/fixtures/PROVENANCE.md

@@ -0,0 +1,18 @@
+# Fixture Provenance
+
+The ABACUS relaxation fixtures in this directory are selected from the
+`deepmodeling/dpdata` test suite and remain under dpdata's
+LGPL-3.0-or-later license. The complete license text is preserved in
+[`../source/LICENSE`](../source/LICENSE).
+
+- `abacus_relax_normal`, `abacus_relax_abnormal`, and
+  `abacus_relax_nostress` come from dpdata commit
+  [`80abfc5037876c0e883dcb58cd96521397e3fe36`](https://github.com/deepmodeling/dpdata/commit/80abfc5037876c0e883dcb58cd96521397e3fe36),
+  under `tests/abacus.relax`.
+- `abacus_relax_case` comes from dpdata commit
+  [`0b6bf2f75f58e87fe07b0989772c7fe00fdcd3c9`](https://github.com/deepmodeling/dpdata/commit/0b6bf2f75f58e87fe07b0989772c7fe00fdcd3c9),
+  which introduced the regression case used by the task.
+
+The benchmark reorganizes the selected files into task-specific fixture
+directories but does not alter their scientific values. `abacus_relax_case.json`
+is benchmark-authored metadata describing the selected regression fixture.

tasks/task_084/metadata.json

@@ -10,5 +10,9 @@
   "gpl_family": true,
   "restricted_license": true,
   "license_gate": "gpl-family",
-  "public_payload_sha256": "0b14a30b4b7ceb203ee7c08d2196b2c8b6a4efa48f85b12627a87a49f5f8b83d"
+  "public_payload_sha256": "10df205f59e7cf7c7e6422df207e68ea5ba17619105bc2b77a5ace7cf1e5460c",
+  "material_licenses": [
+    "LGPL-3.0-or-later"
+  ],
+  "materials_provenance": "fixtures/PROVENANCE.md"
 }

tasks/task_084/task.toml

@@ -17,7 +17,7 @@ network_mode = "no-network"
 timeout_sec = 5400.0
 
 [environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-084:v0.1.0@sha256:735e7ece88fa49a77257cfb2a59b435ed6ef511e99cc1739e24b366ea129836b"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-084:v0.1.1@sha256:f711ef601b2c039c5d1593175d549cce987bcfcbfc057356507d25b14d1141a2"
 os = "linux"
 allow_internet = false
 cpus = 2
@@ -31,7 +31,7 @@ environment_mode = "separate"
 timeout_sec = 1800.0
 
 [verifier.environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-084:v0.1.0@sha256:8cbe4554c727f25c1584f79c48f574a3d08e1fcf6d3c4cb32df36a7d8482216a"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-084:v0.1.1@sha256:e22e29a19f68d6cca283927bb26da82063156e070f86f32df8b06bfac15aa3f9"
 os = "linux"
 allow_internet = false
 cpus = 2

tasks/task_084/tests/Dockerfile

@@ -1,2 +1,2 @@
-ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-084:v0.1.0@sha256:8cbe4554c727f25c1584f79c48f574a3d08e1fcf6d3c4cb32df36a7d8482216a
+ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-084:v0.1.1@sha256:e22e29a19f68d6cca283927bb26da82063156e070f86f32df8b06bfac15aa3f9
 FROM ${VERIFIER_IMAGE}

tasks/task_085/environment/Dockerfile

@@ -24,6 +24,7 @@ RUN apt-get -o Acquire::Retries=10 update \
         curl \
         git \
         ripgrep \
+        libopenblas-dev \
     && rm -rf /var/lib/apt/lists/*
 
 RUN if [ "${INSTALL_FORTRAN}" = "1" ]; then \

tasks/task_085/fixtures/PROVENANCE.md

@@ -0,0 +1,19 @@
+# Fixture Provenance
+
+The small `archive_*` inputs are benchmark-authored examples for exercising the
+DFTB+ archive workflow.
+
+The `params/mio-1-1` directory contains an unmodified subset of the MIO 1-1
+Slater-Koster parameter set: the ordered C, H, N, and O pair files needed by the
+examples. Every included file is byte-identical to the corresponding file in
+the official
+[`mio-1-1.tar.xz` v1.1.0 release](https://github.com/dftbparams/mio/releases/tag/v1.1.0)
+published by the DFTB parameter project under
+[CC BY-SA 4.0](https://creativecommons.org/licenses/by-sa/4.0/). The complete
+license text shipped with the downloaded parameter set is preserved at
+[`params/mio-1-1/LICENSE`](params/mio-1-1/LICENSE).
+
+The benchmark selected only the listed element-pair files and changed their
+directory placement; it did not change the parameter values. DFTB+ source code
+is separately licensed under LGPL-3.0-or-later, while DFTB+ manual content is
+CC BY-SA 4.0, as recorded in [`../source/LICENSE`](../source/LICENSE).

tasks/task_085/metadata.json

@@ -5,10 +5,14 @@
   "language": "fortran",
   "source_repository": "https://github.com/dftbplus/dftbplus",
   "source_commit": "d4da8c5027b643291f3a6295efd4340ce79d6a36",
-  "source_license": "AGPL-family",
-  "license_source": "COPYING",
+  "source_license": "LGPL-3.0-family",
+  "license_source": "LICENSE",
   "gpl_family": true,
   "restricted_license": true,
   "license_gate": "gpl-family",
-  "public_payload_sha256": "2db37177603a05c62b276b94c738f8592f40853359df72a3f25205c1d5bb5748"
+  "public_payload_sha256": "a946e0e51876186f7373b258d91aeffc972f3af15412bbbecc2c18872b576ff2",
+  "material_licenses": [
+    "CC-BY-SA-4.0"
+  ],
+  "materials_provenance": "fixtures/PROVENANCE.md"
 }

tasks/task_085/task.toml

@@ -17,7 +17,7 @@ network_mode = "no-network"
 timeout_sec = 5400.0
 
 [environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-fortran-task-085:v0.1.0@sha256:c4613c3e94fefc6cd721075d314d4fc463269cdd92cf7f6d0b656078a838a7cd"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-fortran-task-085:v0.1.1@sha256:fc28d7af99fa395f69d2e98d62fe2b3cf22befcd2c824e9aa769eaf3ac1e60d2"
 os = "linux"
 allow_internet = false
 cpus = 2
@@ -31,7 +31,7 @@ environment_mode = "separate"
 timeout_sec = 1800.0
 
 [verifier.environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-fortran-task-085:v0.1.0@sha256:e68ac55c7cfb257756103351c305b97789d72f1e79203305d2aa7fa39e657eb1"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-fortran-task-085:v0.1.1@sha256:57de442f9e3510938ba8203803884f9c824a7d1f1eeee571783fdfa1431dbf56"
 os = "linux"
 allow_internet = false
 cpus = 2

tasks/task_085/tests/Dockerfile

@@ -1,2 +1,2 @@
-ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-fortran-task-085:v0.1.0@sha256:e68ac55c7cfb257756103351c305b97789d72f1e79203305d2aa7fa39e657eb1
+ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-fortran-task-085:v0.1.1@sha256:57de442f9e3510938ba8203803884f9c824a7d1f1eeee571783fdfa1431dbf56
 FROM ${VERIFIER_IMAGE}

tasks/task_088/environment/Dockerfile

@@ -1,4 +1,4 @@
-ARG BASE_IMAGE=python:3.11-slim
+ARG BASE_IMAGE=python:3.12-slim
 FROM ${BASE_IMAGE}
 
 ARG DEBIAN_MIRROR=https://mirrors.tuna.tsinghua.edu.cn/debian

tasks/task_088/task.toml

@@ -17,7 +17,7 @@ network_mode = "no-network"
 timeout_sec = 5400.0
 
 [environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-088:v0.1.0@sha256:c98a81a135c210d7681b57574c8f39a00f1a92778e458dc5300a7f2775e2ba6f"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-088:v0.1.1@sha256:f9280d74fccc2dc154eebe06728b65ab7e438fdaacbfe45254563c53ee388e8c"
 os = "linux"
 allow_internet = false
 cpus = 2
@@ -31,7 +31,7 @@ environment_mode = "separate"
 timeout_sec = 1800.0
 
 [verifier.environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-088:v0.1.0@sha256:9f8a00b079fb998f0672f57af8f75628dabc8582122a294f2b20cd304503ac6e"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-088:v0.1.1@sha256:17b563aa055029b65891898ca6dce79e1bd4821251d6ef7eed607f2702833712"
 os = "linux"
 allow_internet = false
 cpus = 2

tasks/task_088/tests/Dockerfile

@@ -1,2 +1,2 @@
-ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-088:v0.1.0@sha256:9f8a00b079fb998f0672f57af8f75628dabc8582122a294f2b20cd304503ac6e
+ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-088:v0.1.1@sha256:17b563aa055029b65891898ca6dce79e1bd4821251d6ef7eed607f2702833712
 FROM ${VERIFIER_IMAGE}

tasks/task_089/environment/Dockerfile

@@ -1,4 +1,4 @@
-ARG BASE_IMAGE=python:3.11-slim
+ARG BASE_IMAGE=python:3.12-slim
 FROM ${BASE_IMAGE}
 
 ARG DEBIAN_MIRROR=https://mirrors.tuna.tsinghua.edu.cn/debian

tasks/task_089/fixtures/PROVENANCE.md

@@ -0,0 +1,11 @@
+# Fixture Provenance
+
+`public_orca_spectrum.out` is a benchmark-authored synthetic fixture released
+under the repository's MIT license. It imitates the public text grammar of ORCA
+electric- and velocity-dipole spectrum tables so that the cclib parser can be
+exercised without redistributing ORCA output or proprietary materials.
+
+No quantum-chemistry program produced this file. Its state energies,
+wavelengths, oscillator strengths, and transition components were chosen for
+this benchmark and were not copied from an upstream discussion, publication,
+manual, or test fixture.

tasks/task_089/metadata.json

@@ -10,5 +10,9 @@
   "gpl_family": false,
   "restricted_license": false,
   "license_gate": "none",
-  "public_payload_sha256": "fe78fd81c8f3bde1750d471aec4416de4b93ff45a1490008fe50e529855c6782"
+  "public_payload_sha256": "1aa83928a461ec6d8531b1c81d25c21cf4a8497ec1aeb7e84a6da9d7b18dd9f5",
+  "material_licenses": [
+    "MIT"
+  ],
+  "materials_provenance": "fixtures/PROVENANCE.md"
 }

tasks/task_089/task.toml

@@ -17,7 +17,7 @@ network_mode = "no-network"
 timeout_sec = 5400.0
 
 [environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-089:v0.1.0@sha256:87e8b70f8d192990fe5a0f5d1773dcb304ab1bf5074a187236f2e0bd041ba356"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-089:v0.1.1@sha256:32379f2d0e61a69bb030beecefeb55a173d3bd338f4d01399445aa6b4238a155"
 os = "linux"
 allow_internet = false
 cpus = 2
@@ -31,7 +31,7 @@ environment_mode = "separate"
 timeout_sec = 1800.0
 
 [verifier.environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-089:v0.1.0@sha256:66ee7d7df906e3cad4e9d27664f1c6ea9bd6673ef36d5ddd61f5aaa75c88db60"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-089:v0.1.1@sha256:81bdeadb79aef5428d6c184bfe73a9c8612cd35576817b8e3b650bbd25daea9f"
 os = "linux"
 allow_internet = false
 cpus = 2

tasks/task_089/tests/Dockerfile

@@ -1,2 +1,2 @@
-ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-089:v0.1.0@sha256:66ee7d7df906e3cad4e9d27664f1c6ea9bd6673ef36d5ddd61f5aaa75c88db60
+ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-089:v0.1.1@sha256:81bdeadb79aef5428d6c184bfe73a9c8612cd35576817b8e3b650bbd25daea9f
 FROM ${VERIFIER_IMAGE}

tasks/task_090/metadata.json

@@ -3,12 +3,12 @@
   "title": "Restore multidimensional NMR acquisition grids",
   "domain": "nuclear-magnetic-resonance-spectroscopy",
   "language": "python",
-  "source_repository": "",
-  "source_commit": "",
+  "source_repository": "https://github.com/jjhelmus/nmrglue",
+  "source_commit": "a3494234497a4507537c8fc5a89081bdb09b1954",
   "source_license": "BSD-3-Clause",
   "license_source": "LICENSE.txt",
   "gpl_family": false,
   "restricted_license": false,
   "license_gate": "none",
-  "public_payload_sha256": "dd119886283401127edc350f562371a2bad9d92d79cfe0488afeaa26a8dde9b4"
+  "public_payload_sha256": "ede5e6decc45aef565117030438e7bdd9b8c1b0a663c92381ed7da61bae6a227"
 }

tasks/task_090/task.toml

@@ -10,14 +10,14 @@ keywords = ["scientific-computing", "software-engineering"]
 [metadata]
 task_id = "090"
 language = "python"
-base_commit_hash = ""
+base_commit_hash = "a3494234497a4507537c8fc5a89081bdb09b1954"
 
 [agent]
 network_mode = "no-network"
 timeout_sec = 5400.0
 
 [environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-090:v0.1.0@sha256:a2a7d3de4b603c2e170a1ea679103aeefdd43c1503f5c2210f32fec9f51e3efa"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-environment-python-task-090:v0.1.1@sha256:dac2e528dc0a2d57797793e4c9d696b73ffed938891a29bb5ecaa0e4dc2386a1"
 os = "linux"
 allow_internet = false
 cpus = 2
@@ -31,7 +31,7 @@ environment_mode = "separate"
 timeout_sec = 1800.0
 
 [verifier.environment]
-docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-090:v0.1.0@sha256:8ba7b5dff3e7bd208683b7d457ebfe6277ce4bdd218bea4d2e0ea322f49a5007"
+docker_image = "docker.io/kevinxulearning/swe-bench-science-verifier-python-task-090:v0.1.1@sha256:3219d6de7809aaa4ea68f82d5f4ac1bceae44d2480a9ae20f47db039661ad8d6"
 os = "linux"
 allow_internet = false
 cpus = 2

tasks/task_090/tests/Dockerfile

@@ -1,2 +1,2 @@
-ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-090:v0.1.0@sha256:8ba7b5dff3e7bd208683b7d457ebfe6277ce4bdd218bea4d2e0ea322f49a5007
+ARG VERIFIER_IMAGE=docker.io/kevinxulearning/swe-bench-science-verifier-python-task-090:v0.1.1@sha256:3219d6de7809aaa4ea68f82d5f4ac1bceae44d2480a9ae20f47db039661ad8d6
 FROM ${VERIFIER_IMAGE}