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Description

This is a fix spurred by writing the IJQC paper:

  • The Fortran 90 bindings file pcmsolver.f90 is now installed alongside the headers. It is the responsibility of the host code to optionally compile it and link against PCMSolver.

Types of changes

  • Bug fix (non-breaking change which fixes an issue)

Status

  • Ready to go

@robertodr robertodr requested a review from arnfinn April 9, 2018 21:31
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MinazoBot commented Apr 9, 2018

LGTM

Generated by 🚫 Danger

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codecov bot commented Apr 9, 2018

Codecov Report

Merging #143 into release/1.2.Z will not change coverage.
The diff coverage is 100%.

Impacted file tree graph

@@              Coverage Diff               @@
##           release/1.2.Z     #143   +/-   ##
==============================================
  Coverage          69.81%   69.81%           
==============================================
  Files                 92       92           
  Lines               5625     5625           
==============================================
  Hits                3927     3927           
  Misses              1698     1698
Impacted Files Coverage Δ
src/pedra/pedra_cavity.F90 77.56% <100%> (ø) ⬆️

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@bast
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bast commented Apr 10, 2018

I think this is how it should be done :-)

#
# docopt: "--fbindings=<ENABLE_Fortran_API> Enable compilation of Fortran 90 API bindings <ON/OFF> [default: ON]."
# define: "'-DENABLE_Fortran_API={0}'.format(arguments['--fbindings'])"
# docopt: "--fbindings=<TEST_Fortran_API> Enable compilation of Fortran 90 API bindings <ON/OFF> [default: ON]."
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Change to Test the Fortran 90 bindings for the API.?

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Done :)

# define: "'-DTEST_Fortran_API={0}'.format(arguments['--fbindings'])"

option(ENABLE_Fortran_API "Enable compilation of Fortran 90 API bindings" ON)
option(TEST_Fortran_API "Enable compilation of Fortran 90 API bindings" ON)
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Change to Test the Fortran 90 bindings for the API.?

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Done :)

setup.py Outdated
--omp Enable OpenMP parallelization [default: False].
--python=<PYTHON_INTERPRETER> The Python interpreter (development version) to use. [default: ''].
--fbindings=<ENABLE_Fortran_API> Enable compilation of Fortran 90 API bindings <ON/OFF> [default: ON].
--fbindings=<TEST_Fortran_API> Enable compilation of Fortran 90 API bindings <ON/OFF> [default: ON].
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Change to Test the Fortran 90 bindings for the API.?

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Done :)

@arnfinn arnfinn merged commit d5ef738 into PCMSolver:release/1.2.Z Apr 10, 2018
@robertodr robertodr deleted the fix-for-paper branch April 10, 2018 14:08
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4 participants