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Port details
dftbplus DFTB+: Package for performing fast atomistic simulations
19.1_1 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 19.1_1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-12 22:25:35
Last Update: 2021-05-25 11:06:44
Commit Hash: 5001a29
License: GPLv3
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (57 items)
Collapse this list.
  1. /usr/local/share/licenses/dftbplus-19.1_1/catalog.mk
  2. /usr/local/share/licenses/dftbplus-19.1_1/LICENSE
  3. /usr/local/share/licenses/dftbplus-19.1_1/GPLv3
  4. bin/dftb+
  5. bin/dp_bands
  6. bin/dp_dos
  7. bin/gen2cif
  8. bin/gen2xyz
  9. bin/makecube
  10. bin/modes
  11. bin/repeatgen
  12. bin/straingen
  13. bin/waveplot
  14. bin/xyz2gen
  15. lib/python3.8/site-packages/dptools-19.1-py3.8.egg-info
  16. lib/python3.8/site-packages/dptools/__init__.py
  17. lib/python3.8/site-packages/dptools/__pycache__/__init__.cpython-38.opt-1.pyc
  18. lib/python3.8/site-packages/dptools/__pycache__/__init__.cpython-38.pyc
  19. lib/python3.8/site-packages/dptools/__pycache__/bandout.cpython-38.opt-1.pyc
  20. lib/python3.8/site-packages/dptools/__pycache__/bandout.cpython-38.pyc
  21. lib/python3.8/site-packages/dptools/__pycache__/cif.cpython-38.opt-1.pyc
  22. lib/python3.8/site-packages/dptools/__pycache__/cif.cpython-38.pyc
  23. lib/python3.8/site-packages/dptools/__pycache__/common.cpython-38.opt-1.pyc
  24. lib/python3.8/site-packages/dptools/__pycache__/common.cpython-38.pyc
  25. lib/python3.8/site-packages/dptools/__pycache__/gen.cpython-38.opt-1.pyc
  26. lib/python3.8/site-packages/dptools/__pycache__/gen.cpython-38.pyc
  27. lib/python3.8/site-packages/dptools/__pycache__/geometry.cpython-38.opt-1.pyc
  28. lib/python3.8/site-packages/dptools/__pycache__/geometry.cpython-38.pyc
  29. lib/python3.8/site-packages/dptools/__pycache__/grids.cpython-38.opt-1.pyc
  30. lib/python3.8/site-packages/dptools/__pycache__/grids.cpython-38.pyc
  31. lib/python3.8/site-packages/dptools/__pycache__/gridsio.cpython-38.opt-1.pyc
  32. lib/python3.8/site-packages/dptools/__pycache__/gridsio.cpython-38.pyc
  33. lib/python3.8/site-packages/dptools/__pycache__/xyz.cpython-38.opt-1.pyc
  34. lib/python3.8/site-packages/dptools/__pycache__/xyz.cpython-38.pyc
  35. lib/python3.8/site-packages/dptools/bandout.py
  36. lib/python3.8/site-packages/dptools/cif.py
  37. lib/python3.8/site-packages/dptools/common.py
  38. lib/python3.8/site-packages/dptools/gen.py
  39. lib/python3.8/site-packages/dptools/geometry.py
  40. lib/python3.8/site-packages/dptools/grids.py
  41. lib/python3.8/site-packages/dptools/gridsio.py
  42. lib/python3.8/site-packages/dptools/scripts/__init__.py
  43. lib/python3.8/site-packages/dptools/scripts/__pycache__/__init__.cpython-38.opt-1.pyc
  44. lib/python3.8/site-packages/dptools/scripts/__pycache__/__init__.cpython-38.pyc
  45. lib/python3.8/site-packages/dptools/scripts/__pycache__/common.cpython-38.opt-1.pyc
  46. lib/python3.8/site-packages/dptools/scripts/__pycache__/common.cpython-38.pyc
  47. lib/python3.8/site-packages/dptools/scripts/__pycache__/repeatgen.cpython-38.opt-1.pyc
  48. lib/python3.8/site-packages/dptools/scripts/__pycache__/repeatgen.cpython-38.pyc
  49. lib/python3.8/site-packages/dptools/scripts/__pycache__/straingen.cpython-38.opt-1.pyc
  50. lib/python3.8/site-packages/dptools/scripts/__pycache__/straingen.cpython-38.pyc
  51. lib/python3.8/site-packages/dptools/scripts/common.py
  52. lib/python3.8/site-packages/dptools/scripts/repeatgen.py
  53. lib/python3.8/site-packages/dptools/scripts/straingen.py
  54. lib/python3.8/site-packages/dptools/xyz.py
  55. @owner
  56. @group
  57. @mode
Collapse this list.
Dependency lines:
  • dftbplus>0:science/dftbplus
To install the port: cd /usr/ports/science/dftbplus/ && make install clean
To add the package, run one of these commands:
  • pkg install science/dftbplus
  • pkg install dftbplus
PKGNAME: dftbplus
Flavors: there is no flavor information for this port.
distinfo:
Packages (timestamps in pop-ups are UTC):
dftbplus
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd6419.1_119.1_1
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64--
FreeBSD:12:amd6419.1_119.1_1
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch64--
FreeBSD:13:amd6419.1_119.1_1
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:14:aarch64--
FreeBSD:14:amd6419.1_1-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64--
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gfortran10 : lang/gcc10
  2. gmake>=4.3 : devel/gmake
  3. python3.8 : lang/python38
  4. gcc10 : lang/gcc10
  5. as : devel/binutils
Runtime dependencies:
  1. py38-numpy>=1.16,1<1.20,1 : math/py-numpy@py38
  2. gfortran10 : lang/gcc10
  3. python3.8 : lang/python38
  4. gcc10 : lang/gcc10
Library dependencies:
  1. libblas.so : math/blas
  2. liblapack.so : math/lapack
  3. libmpich.so : net/mpich
  4. libscalapack.so : math/scalapack
There are no ports dependent upon this port

Configuration Options:
Options name:

USES:

FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/dftbplus/dftbplus/tar.gz/19.1?dummy=/
Collapse this list.

Number of commits found: 23

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
25 May 2021 11:06:44
 files touched by this commit commit hash:5001a29cb85d3a178109b7bebe931521f1db8ea6  19.1_1
pkubaj search for other commits by this committer
science/dftbplus: fix BROKEN message
19 May 2021 04:07:42
 files touched by this commit commit hash:443d7c91488ed6e654cafa0716dc550683296af4  19.1_1
yuri search for other commits by this committer
science/dftbplus: Broken on aarch64, powerpc* due to lack of IEEE754 support in
gcc
14 May 2021 21:29:29
 files touched by this commit commit hash:92aae631f98dba62cc404a8a9ec47cf60348f4de  19.1_1
linimon search for other commits by this committer
science/dftbplus: mark BROKEN the same way on powerc64le/aarch64

  as already marked on powerpc64.

Approved by:	portmgr (tier-2 blanket)
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  19.1_1
mat search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  19.1_1
mat search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
17 Nov 2020 22:28:17
Original commit files touched by this commit Revision:555600  19.1_1
linimon search for other commits by this committer
Add workaround for new failure with Fortran GCC 10 frontend:

  Type mismatch between actual argument at (1) and actual argument at (2)
(COMPLEX(8)/CHARACTER(*)).

PR:		246700
Approved by:	maintainer
20 May 2020 00:36:40
Original commit files touched by this commit Revision:535961  19.1_1
yuri search for other commits by this committer
science/dftbplus: Change to python3.
18 May 2020 01:32:36
Original commit files touched by this commit Revision:535704  19.1
linimon search for other commits by this committer
Mark as BROKEN on powerpc64:

  lbfgs.f90:18:19:
   18 |   use, intrinsic :: ieee_arithmetic
  Fatal Error: Cannot find an intrinsic module named 'ieee_arithmetic' at (1)

Approved by:	portmgr (tier-2 blanket)
23 Feb 2020 15:25:53
Original commit files touched by this commit Revision:526925  19.1
antoine search for other commits by this committer
Deprecate a few ports

With hat:	portmgr
03 Aug 2019 19:59:35
Original commit files touched by this commit Revision:507991  19.1
yuri search for other commits by this committer
science/dftbplus: Update 18.2 -> 19.1

Reported by:	portscout
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  18.2_8
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.

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, everything INDEX-11 shows with a dependency on lang/gcc9 now.

PR:		238330
03 Jul 2019 10:05:47
Original commit files touched by this commit Revision:505742  18.2_7
tobik search for other commits by this committer
science/dftbplus: Unbreak build with GCC 9

/usr/local/bin/ld: coulomb.o: in function `__coulomb_MOD_invrstress._omp_fn.0':
coulomb.f90:(.text+0x42): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_start'
/usr/local/bin/ld: coulomb.f90:(.text+0x176): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_next'
/usr/local/bin/ld: coulomb.o: in function `__coulomb_MOD_invrstress._omp_fn.1':
coulomb.f90:(.text+0xfbc): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_start'
/usr/local/bin/ld: coulomb.f90:(.text+0x1172): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_next'
[...]

PR:		238666
Submitted by:	jbeich
Reported by:	antoine (via exp-run in PR 238330)
Approved by:	yuri (maintainer timeout, 2 weeks)
19 May 2019 02:47:01
Original commit files touched by this commit Revision:502009  18.2_6
yuri search for other commits by this committer
science/dftbplus: Fix libomp.so in LDFLAGS (this also might fix the breakage on
13)
08 May 2019 16:05:53
Original commit files touched by this commit Revision:501030  18.2_6
jbeich search for other commits by this committer
devel/openmp: phase out

- Expire after the last version without /usr/lib/libomp.so
- Drop SOVERSION for seamless transition (i.e., avoid conditionals)

PR:		236907
Approved by:	bapt (maintainer)
Differential Revision:	https://reviews.freebsd.org/D19767
22 Apr 2019 13:16:34
Original commit files touched by this commit Revision:499638  18.2_5
gerald search for other commits by this committer
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl
05 Jan 2019 15:14:26
Original commit files touched by this commit Revision:489347  18.2_4
antoine search for other commits by this committer
- science/dftbplus is not compatible with python3
- clean up plist

PR:		234633
12 Dec 2018 01:35:36
Original commit files touched by this commit Revision:487272  18.2_4
gerald search for other commits by this committer
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
04 Oct 2018 21:10:42
Original commit files touched by this commit Revision:481254  18.2_3
yuri search for other commits by this committer
science/dftbplus science/mbdyn science/octopus: Change from math/arpack to
math/arpack-ng
22 Sep 2018 16:36:38
Original commit files touched by this commit Revision:480395  18.2_2
yuri search for other commits by this committer
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
13 Sep 2018 19:16:13
Original commit files touched by this commit Revision:479690  18.2_1
yuri search for other commits by this committer
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
13 Sep 2018 17:38:23
Original commit files touched by this commit Revision:479684  18.2_1
yuri search for other commits by this committer
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
13 Sep 2018 00:26:41
Original commit files touched by this commit Revision:479657  18.2_1
yuri search for other commits by this committer
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
12 Sep 2018 22:25:20
Original commit files touched by this commit Revision:479622  18.2
yuri search for other commits by this committer
New port: science/dftbplus: Package for performing fast atomistic simulations

Number of commits found: 23