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Add export to RDKIT to allow for chemdraw style visualization. #1061

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Add export to RDKIT to allow for chemdraw style visualization.

Add export to RDKIT to allow for chemdraw style visualization. #1061

Triggered via pull request October 19, 2023 16:34
@chrisjonesBSUchrisjonesBSU
synchronize #1137
chrisiacovella:rdkit_vis
Status Success
Total duration 24m 1s
Artifacts –

CI.yaml

on: pull_request
Matrix: mBuild Tests
Bleeding Edge mosdef Tests for mBuild
6m 41s
Bleeding Edge mosdef Tests for mBuild
Build Docker Image
0s
Build Docker Image
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29 warnings
Bleeding Edge mosdef Tests for mBuild
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
Bleeding Edge mosdef Tests for mBuild
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (ubuntu-latest, 3.10)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (ubuntu-latest, 3.10)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (ubuntu-latest, 3.10)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (ubuntu-latest, 3.9)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (ubuntu-latest, 3.9)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (ubuntu-latest, 3.9)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (ubuntu-latest, 3.11)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (ubuntu-latest, 3.11)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (ubuntu-latest, 3.11)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (macOS-latest, 3.9)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (macOS-latest, 3.9)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (macOS-latest, 3.9)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (macOS-latest, 3.11)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (macOS-latest, 3.11)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (macOS-latest, 3.11)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (windows-latest, 3.11)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (windows-latest, 3.11)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (windows-latest, 3.11)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (macOS-latest, 3.10)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (macOS-latest, 3.10)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (macOS-latest, 3.10)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (windows-latest, 3.10)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (windows-latest, 3.10)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (windows-latest, 3.10)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (windows-latest, 3.9)
The following actions uses node12 which is deprecated and will be forced to run on node16: codecov/codecov-action@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
mBuild Tests (windows-latest, 3.9)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']
mBuild Tests (windows-latest, 3.9)
Unexpected input(s) 'python-version', valid inputs are ['condarc-file', 'condarc', 'environment-file', 'environment-name', 'create-args', 'log-level', 'micromamba-version', 'micromamba-url', 'init-shell', 'generate-run-shell', 'cache-downloads', 'cache-downloads-key', 'cache-environment', 'cache-environment-key', 'post-cleanup', 'micromamba-root-path', 'micromamba-binary-path']