#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)
Change History (4)
Changed 9 years ago by cram5431@…
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: | new → closed |
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.
Note: See
TracTickets for help on using
tickets.
Committed in r145312 with some improvements.