Config files for nano course #566
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Several existing configs were copied and modified for the combination ictce-4.1.13 and Python-2.7.3. The OpenBabel package contains a Python extension, so they should get a Python-2.7.X suffix. A Config for molden was added.
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Automatic reply from Jenkins: Can I test this? |
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Yes |
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| easyblock = "MakeCp" | |||
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| name = 'molden' | |||
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I'm not a names lawyer, yet I understand that the original developers refer to it as Molden,
hence first letter capitalized... wouldn't you prefer that one, then?
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Sure, no problem. I have indeed a personal bias toward lower case. The shift key is in my opinion one of the biggest mistakes in the history of IT. That said, I'm not going to try to convince the rest of the world. :)
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ah, yeah, you do join the ranks of stdweird, then ;-)
IMHO, the whole capitals/spacing thingy is just adding redundant redundancy
in the language.
Pretty many ancient texts go fine about without it (OK, but you need double
time to read it then ;-)
From my P.o.V., we should write hex and be done with it all :-P
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| source_urls = [ | ||
| 'ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/%(namelower)s%(version)s.tar.gz' |
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oops, there's a tarball filename in here, that's redundant; also you could create one-liners if you prefer for single-list items
(sry I didn't notice earlier, I went through it in a very quick view).
As regards the patchfilenames, I think we have freedom there; anything goes, as long as people get to find their way...
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Jenkins: ok to test |
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| builddependencies = [('CMake', '2.8.12')] | |||
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| python = "Python" | |||
| pythonversion = '2.7.7' | |||
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This should be 2.7.5, right? There's no such thing as Python 2.7.7 (yet).
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@tovrstra: I'm working on a PR to your branch to fix the minor remarks I'm making in here. Just so you know... |
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| toolchain = {'name': 'ictce', 'version': '4.1.13'} | ||
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| source_urls = ['https://github.com/molmod/tamkin/releases/download/v%s' % version] |
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Remarks fixed in tovrstra#2 |
Thanks for the fixes. Looks good!
Several existing configs were copied and modified for the
combination ictce-4.1.13 and Python-2.7.3. The OpenBabel
package contains a Python extension, so they should get a
Python-2.7.X suffix. A Config for molden was added.
I'm not sure about one thing: the OpenBabel package installs a python extension in $PREFIX/lib (without python-2.7.X/site-packages) I hope this is OK. The PYTHONPATH variable is properly set in the module and when the module is loaded, I can indeed import the python extension.