Commit Graph

8 Commits

Author SHA1 Message Date
Antoine Brodin
ffbe751078 - science/dftbplus is not compatible with python3
- clean up plist

PR:		234633
2019-01-05 15:14:26 +00:00
Gerald Pfeifer
a9f015d155 Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.

PR:		231590
2018-12-12 01:35:33 +00:00
Yuri Victorovich
39e376a762 science/dftbplus science/mbdyn science/octopus: Change from math/arpack to math/arpack-ng 2018-10-04 21:10:42 +00:00
Yuri Victorovich
5f341a2ffb Change 20 ports from net/mpich2 to net/mpich
mpich2 is the obsolete version 2.x, mpich is at the current version 3.x

Ports:
math/scalapack science/nwchem science/quantum-espresso science/qmcpack science/madness
science/qbox science/openmx science/jdftx science/fleur science/libgridxc
science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga
math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich
2018-09-22 16:36:38 +00:00
Yuri Victorovich
52d8ad5f01 science/dftbplus: Correct license; Correct patches
Port changes:
* Change LICENSE to GPLv3: LGPL3+ combined with GPLv1+ yields GPLv3
* Remove some unnecessary patches, also correct patch, binaries don't change
2018-09-13 19:16:12 +00:00
Yuri Victorovich
c2b454f0c8 science/dftbplus: Update license; Add the 'test' target; etc.
Port changes:
* Fix the mistake in LICENSE
* Add the 'test' target, bundle the test potentials for it
* Update COMMENT to include a commonly known name for this package
* Pass build params via MAKE_ARGS, remove unnecessary patch related to this
* Add a patch to the makefile to print build parameters
2018-09-13 17:38:23 +00:00
Yuri Victorovich
c76cf76a11 science/dftbplus: Fix ARPACK handling; Link with clang; etc
* ARPACK option is for non-MPI build only
* Make it link using clang
* Add openmp dependency
2018-09-13 00:26:41 +00:00
Yuri Victorovich
e8b751e04d New port: science/dftbplus: Package for performing fast atomistic simulations 2018-09-12 22:25:20 +00:00