Merged
Conversation
CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a versatile and widely used molecular simulation program with broad application to many-particle systems. This is a non free program. You need to buy a license to obtain the source code.
|
Automatic reply from Jenkins: Can I test this? |
Member
|
Jenkins: ok to test |
Member
There was a problem hiding this comment.
ah, wait, because EB doesn't ship Gaussian support, I see, makes sense
Member
Author
There was a problem hiding this comment.
Well, I've kept them there to make it easy to enable g09 support.
We now use a string instead of list.
Member
Author
|
Fully updated to new easyblock and after remarks! |
Member
|
tested on top of easybuilders/easybuild-easyblocks#318, works like a CHARMM merging in, thanks @wpoely86! |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
4 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a versatile
and widely used molecular simulation program with broad application to
many-particle systems.
This is a non free program. You need to buy a license to obtain the
source code.
Depends on easybuilders/easybuild-easyblocks#318