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Added encoding and parsing for TeraChem optimization calculations. #79

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Added encoding and parsing for TeraChem optimization calculations.

Added encoding and parsing for TeraChem optimization calculations. #79

Triggered via push September 13, 2024 00:05
@coltonbhcoltonbh
pushed d242641
feature-terachem-optimizations
Status Failure
Total duration 28s
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basic-code-quality.yaml

on: push
ruff
6s
ruff
mypy
19s
mypy
black
7s
black
isort
14s
isort
detect-secrets
14s
detect-secrets
spell check
3s
spell check
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1 error and 15 warnings
spell check
Process completed with exit code 2.
spell check: tests/data/water.frequencies.out#L1257
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1276
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1282
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1283
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1284
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1285
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1286
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1287
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1288
"Srot" should be "Sort".
spell check: tests/data/water.frequencies.out#L1289
"Srot" should be "Sort".
black
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ruff
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
isort
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
detect-secrets
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
mypy
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/