[MacPorts] #48413: py-horton @2.0.0 Quantum_chemistry_python_package

[MacPorts]

#48413: py-horton @2.0.0 Quantum_chemistry_python_package
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  Reporter:  yangx59@…   |      Owner:  macports-tickets@…
      Type:  submission  |     Status:  new
  Priority:  Normal      |  Milestone:
 Component:  ports       |    Version:
Resolution:              |   Keywords:
      Port:  py-horton   |
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Comment (by yangx59@…):

 Replying to [comment:11 russell.jones@…]:
 > Hi Derrick,
 >
 > Not a full review, but a few questions.
 >
 > What happens if you try to build it with the OS X Accelerate framework
 instead of Atlas?
 >
 > Does the Portfile build the things in
 https://github.com/theochem/horton/blob/master/depends/Makefile with
 clang?
 >
 > It looks like it builds them as part of the port, which could be OK
 though is usually best avoided if possible. Did you check if those
 libraries are available as ports? Have you checked if they are linked
 against MacPorts libraries only (
 https://trac.macports.org/wiki/FAQ#ownlibs )?
 >
 > My knowledge of Portfile development is somewhat second-hand, so I hope
 these are helpful.
 >
 > By the way, which OS X version(s) are you testing on?
 >
 >
 > Russell

 Hey Russell,

 Thank you for your reviews.

 Q1: What happens if you try to build it with the OS X Accelerate framework
 instead of Atlas?
 A: I thought it will go wrong. The thing is in the setup.py, it checks
 whether there is a blas and atlas library.

 Q2: Does the Portfile build the things in
 A: Yes.

 Q3: It looks like it builds them as part of the port, which could be OK
 though is usually best avoided if possible. Did you check if those
 libraries are available as ports? Have you checked if they are linked
 against MacPorts libraries only (
 https://trac.macports.org/wiki/FAQ#ownlibs )?
 A: If you manually install this package you need to make libint and libxc
 yourself. But in this portfile, I port libint and libxc, both are
 available in macport. So it is fine. We do not need to build those parts

 Q4: By the way, which OS X version(s) are you testing on?

 A: I test on My own laptop. Both 10.10.3 and 10.10.4. The cfg files are
 for users to manually build Horton. In this portfile, I made a universal
 setting for all macport users. So I think it should be fine.

 And I really appreciate your reviews.
 Derrick

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Ticket URL: <https://trac.macports.org/ticket/48413#comment:12>
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