Add options for abf to use pseudo inverse from numpy #1507
pabloferzdocker-ci.yml
on: pull_request
build
12m 39s
forward-flux-sampling
13m 45s
abf-alanine-dipeptide-openmm
11m 16s
spectral-abf-alanine-dipeptide-openmm
4m 13s
abf-tip3p-water-ase
4m 4s
metad-alanine-dipeptide-openmm
4m 10s
alanine-dipeptide-openmm-mpi
8m 45s
cv-pucker-openmm-unbiased
3m 10s
cv-ermsd-openmm-unbiased
3m 27s
cv-ermsd-cg-openmm-unbiased
4m 28s
alanine-dipeptide-string
8m 0s
openmm-nacl-metad-displacement
3m 33s
metad-hoomd
7m 42s
funn-butane-hoomd
3m 50s
cff-butane-hoomd
3m 37s
harmonic-bias-hoomd
5m 7s
unbiased-hoomd
3m 12s
umbrella-integration-hoomd
3m 4s
improved-string-hoomd
3m 7s
umbrella-integration-hoomd-mpi
3m 7s
Annotations
21 warnings
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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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
Expired
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12.1 KB |
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umbrella-integration-mpi-plots
Expired
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23.6 KB |
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umbrella-integration-plots
Expired
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23.1 KB |
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