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update CP2K easyblock#336

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boegel merged 13 commits intoeasybuilders:developfrom
boegel:cp2k
Dec 22, 2013
Merged

update CP2K easyblock#336
boegel merged 13 commits intoeasybuilders:developfrom
boegel:cp2k

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@boegel boegel commented Dec 22, 2013

builds on top of @wpoely86's PR #323, fixes bug in definition of test_core_cnt (which is not a real constant since it's not defined out of the class) and includes minor style fixes

tested with easybuilders/easybuild-easyconfigs#572 and easybuilders/easybuild-easyconfigs#601

Comment thread easybuild/easyblocks/c/cp2k.py Outdated
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It's a good idea to give a warning when you change the default 😉

I wanted CP2K builds with libxc enabled. I've pushed changes to the easyconfg PR.

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Well, the existing easyconfigs broke because this was set to False by default.

In the future, we should determine whether these libint and libxc parameters are still useful. Why not build against libxc simply based on the fact whether it's there as a dep or not?

Now you need to both add it as a dep, and set libxc to True, which is just stupid.

Simply dropping these two shouldn't break anything, EB just ignores unknown entries in the easyconfig file...

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boegel commented Dec 22, 2013

fully tested, new aspects reviewed by @wpoely86, remarks fixed, good to go in! Thanks @wpoely86!

boegel added a commit that referenced this pull request Dec 22, 2013
@boegel boegel merged commit 369fba4 into easybuilders:develop Dec 22, 2013
@boegel boegel deleted the cp2k branch December 22, 2013 17:43
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