Add options for abf to use pseudo inverse from numpy #1506
pabloferzdocker-ci.yml
on: pull_request
build
13m 21s
forward-flux-sampling
16m 10s
abf-alanine-dipeptide-openmm
6m 46s
spectral-abf-alanine-dipeptide-openmm
4m 29s
abf-tip3p-water-ase
2m 58s
metad-alanine-dipeptide-openmm
4m 0s
alanine-dipeptide-openmm-mpi
9m 47s
cv-pucker-openmm-unbiased
4m 3s
cv-ermsd-openmm-unbiased
3m 27s
cv-ermsd-cg-openmm-unbiased
3m 25s
alanine-dipeptide-string
8m 3s
openmm-nacl-metad-displacement
3m 15s
metad-hoomd
7m 10s
funn-butane-hoomd
3m 44s
cff-butane-hoomd
2m 58s
harmonic-bias-hoomd
3m 58s
unbiased-hoomd
2m 54s
umbrella-integration-hoomd
3m 50s
improved-string-hoomd
3m 8s
umbrella-integration-hoomd-mpi
4m 6s
Annotations
6 errors and 21 warnings
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abf-tip3p-water-ase
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cff-butane-hoomd
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funn-butane-hoomd
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cv-pucker-openmm-unbiased
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spectral-abf-alanine-dipeptide-openmm
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abf-alanine-dipeptide-openmm
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build
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, docker/setup-buildx-action@v2, docker/build-push-action@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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abf-tip3p-water-ase
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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unbiased-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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cff-butane-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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improved-string-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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openmm-nacl-metad-displacement
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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cv-ermsd-cg-openmm-unbiased
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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cv-ermsd-openmm-unbiased
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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funn-butane-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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umbrella-integration-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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harmonic-bias-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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metad-alanine-dipeptide-openmm
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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cv-pucker-openmm-unbiased
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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umbrella-integration-hoomd-mpi
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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spectral-abf-alanine-dipeptide-openmm
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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abf-alanine-dipeptide-openmm
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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metad-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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alanine-dipeptide-string
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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alanine-dipeptide-openmm-mpi
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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forward-flux-sampling
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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Deprecation notice: v1, v2, and v3 of the artifact actions
The following artifacts were uploaded using a version of actions/upload-artifact that is scheduled for deprecation: "harmonic-hist.pdf", "pysages", "spline-string-plots", "umbrella-integration-mpi-plots", "umbrella-integration-plots".
Please update your workflow to use v4 of the artifact actions.
Learn more: https://github.blog/changelog/2024-04-16-deprecation-notice-v3-of-the-artifact-actions/
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Artifacts
Produced during runtime
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harmonic-hist.pdf
Expired
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11.3 KB |
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pysages
Expired
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3.45 GB |
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spline-string-plots
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12.1 KB |
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umbrella-integration-mpi-plots
Expired
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23.2 KB |
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umbrella-integration-plots
Expired
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23.2 KB |
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