update custom easyblock for NAMD for version >= 3.0 #3248
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easybuild/easyblocks/n/namd.py
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| @@ -141,6 +143,9 @@ def configure_step(self): | |||
| 'parallel': self.cfg['parallel'], | |||
| } | |||
| charm_subdir = '.'.join(os.path.basename(self.charm_tarballs[0]).split('.')[:-1]) | |||
| # From version 3.0 naming schema changed | |||
| if LooseVersion(self.version) >= LooseVersion('3.0'): | |||
| charm_subdir = charm_subdir.replace("7.0.0", "v7.0.0") | |||
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Hardcoding this to 7.0.0 seems like it's begging to break on the very next release.
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I agree, I am not sure what would be an alternative way out. This just resolved the issue and we were able to successfully install the latest NAMD version with charm (the issue was with charm though). I am happy to make any further changes to the code.
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Looks like the non-beta release (Version 3.0 (2024-06-14) Platforms) on https://www.ks.uiuc.edu/Development/Download/download.cgi is now having charm-8.0.0.tar, and inside that tar, the folder name is now back to charm-8.0.0 (i.e. no "v"). So there might be no need for this easyblock patch if you're compiling the non-beta release.
…et me know if there are further issues.
Just modified a trailing whitespace suggested by the hound
Blank line was deleted suggested by the hound
Fixing a whitespace
![hound[bot]](https://avatars.githubusercontent.com/in/3598?s=60&v=4){kind=small}
Made a small at line 148 (added "-", "-v") as suggested by the reviewer.
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Test report by @emdrago Overview of tested easyconfigs (in order)
Build succeeded for 0 out of 1 (1 easyconfigs in total) |
boegel
changed the title
(created using
eb --new-pr)This PR is to make sure that NMAD/3.0b6 version through this new EB file gets installed without an error. There were primary two errors I was encountering: (1) one is for to bypass the patch stuffs ([here] and [here]) from version NAMD/2.14 which don’t apply anymore to NAMD/3.0b6 version and (2) the other one was related to
charm; where upon extraction the source code of NAMD/3.0b6, it was creating a directory calledcharm-v7.0.0instead ofcharm-7.0.0that was essentially throwing errors and preventing the installation NAMD/3.0b6). These two issues were fixed through this modifiednamd.pyscript.