{chem}[intel/2017b] Multiwfn v3.4.1#5403
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@wpoely86 review? |
| checksums = ['07141333f59a4bb3e3855a0c6c2ac61ae0aa9009bd40b375848ea2b641d4ab8f'] | ||
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| # The order of the source files is important! | ||
| # The source files are copied from the original Makefile |
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@smoors If there's a Makefile, why not use it? Maybe MakeCp is what you're after?
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Test report by @boegel |
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| prebuildopts = '/bin/bash noGUI.sh && cd noGUI && ' | ||
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| buildopts = 'OPT="-qopenmp" LIB="$LDFLAGS $LIBBLAS $LIBLAPACK" FC="$FC $FCFLAGS"' |
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@smoors Hmm, prematurely approved... It's a better idea to use -fopenmp here, which works with both GCC and Intel compilers, otherwise this will be easily overlooked when changing the toolchain.
| sources = ['%(name)s_%(version)s_src_Linux.zip'] | ||
| checksums = ['07141333f59a4bb3e3855a0c6c2ac61ae0aa9009bd40b375848ea2b641d4ab8f'] | ||
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| prebuildopts = '/bin/bash noGUI.sh && cd noGUI && ' |
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Is there a particular reason why you don't just use ./noGUI.sh here? Do you need to run this in a subshell?
If the script is missing the right permissions, you could do chmod u+x noGUI.sh && ./noGUI.sh?
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The noGUI.sh script is executable but lacks a shebang. I just wanted to make sure it runs in bash.
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Maybe mention that in a comment above this line to clarify?
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Test report by @boegel |
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Test report by @boegel |
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Test report by @boegel |
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Going in, thanks @smoors! |
The installation procedure is not ideal, but is justified by the limited number of users (currently).