Opened 9 years ago

Closed 9 years ago

Last modified 9 years ago

#50474 closed submission (fixed)

atompaw 4.0.0.12 new port

Reported by: cram5431@… Owned by: dstrubbe (David Strubbe)
Priority: Normal Milestone:
Component: ports Version: 2.3.4
Keywords: Cc: dstrubbe (David Strubbe)
Port: atompaw

Description

Portfile for atomPAW, intended for the science category. atomPAW is a program to be used for the generation of atomic datasets needed by first-principle simulation software based on the "Projector Augmented-Wave" (PAW) approach: Abinit, gpaw, Quantum Espresso, ...

Attachments (1)

Portfile (3.6 KB) - added by cram5431@… 9 years ago.

Download all attachments as: .zip

Change History (4)

Changed 9 years ago by cram5431@…

Attachment: Portfile added

comment:1 Changed 9 years ago by dstrubbe (David Strubbe)

Owner: changed from macports-tickets@… to dstrubbe@…

comment:2 Changed 9 years ago by dstrubbe (David Strubbe)

Resolution: fixed
Status: newclosed

Committed in r145312 with some improvements.

comment:3 Changed 9 years ago by dstrubbe (David Strubbe)

  • Since MPI is not used, the compilers portgroup should be used directly.
  • Improved the description to fix grammar issues.
  • The compilers.setup line is required to create variants. require_fortran makes it mandatory to set a Fortran variant.
  • Building shared libraries can be enabled.
  • The first pre-configure block (except for the libxc part) did not need to be in a particular phase.
  • The default destroot (from atompaw's own 'make install') works fine and installs more useful things than just the 'atompaw' binary.
  • Improved test phase: the F LDA example is run.
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