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Updated for new installation scheme #30

Merged
merged 3 commits into from
Mar 19, 2024
Merged

Updated for new installation scheme #30

merged 3 commits into from
Mar 19, 2024

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paulsaxe
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  • packmol-step-installer now uses the new scheme, which supports both Conda and Docker installation.
  • Added seamm-packmol Docker image

@paulsaxe paulsaxe added the enhancement New feature or request label Mar 19, 2024
@paulsaxe paulsaxe requested a review from seamm March 19, 2024 19:22
seamm
seamm approved these changes Mar 19, 2024
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@seamm seamm left a comment

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Looks reasonable and has been tested; however, some tests can only be done after making a release.

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codecov bot commented Mar 19, 2024

Codecov Report

Merging #30 (6f77cf5) into main (9b6a2b2) will decrease coverage by 7.48%.
The diff coverage is 11.11%.

Additional details and impacted files

@seamm seamm merged commit 2ac9731 into molssi-seamm:main Mar 19, 2024
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@seamm seamm seamm approved these changes

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@paulsaxe @seamm