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Port details
xtb Semiempirical Extended Tight-Binding Program Package
6.3.3 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 6.3.3Version of this port present on the latest quarterly branch.
Maintainer: jmd@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2020-05-28 22:05:50
Last Update: 2021-04-06 14:31:07
Commit Hash: 305f148
License: GPLv3
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (22 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/xtb-6.3.3/catalog.mk
  3. /usr/local/share/licenses/xtb-6.3.3/LICENSE
  4. /usr/local/share/licenses/xtb-6.3.3/GPLv3
  5. bin/xtb
  6. include/xtb.h
  7. lib/cmake/xtb/xtbConfig.cmake
  8. lib/cmake/xtb/xtbConfigVersion.cmake
  9. lib/cmake/xtb/xtbTargets-release.cmake
  10. lib/cmake/xtb/xtbTargets.cmake
  11. lib/libxtb.a
  12. lib/libxtb.so
  13. lib/libxtb.so.6
  14. lib/libxtb.so.6.3.3
  15. share/xtb/.param_gfnff.xtb
  16. share/xtb/param_gfn0-xtb.txt
  17. share/xtb/param_gfn1-xtb.txt
  18. share/xtb/param_gfn2-xtb.txt
  19. share/xtb/param_ipea-xtb.txt
  20. @owner
  21. @group
  22. @mode
Collapse this list.
Dependency lines:
  • For RUN/BUILD depends:
    • xtb>0:science/xtb
  • For LIB depends:
    • libxtb.so:science/xtb
To install the port: cd /usr/ports/science/xtb/ && make install clean
To add the package, run one of these commands:
  • pkg install science/xtb
  • pkg install xtb
PKGNAME: xtb
Flavors: there is no flavor information for this port.
distinfo:
Packages (timestamps in pop-ups are UTC):
xtb
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd646.3.36.3.3
FreeBSD:11:armv6--
FreeBSD:11:i3866.3.36.3.3
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64-6.3.3
FreeBSD:12:amd646.3.36.3.3
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i3866.3.36.3.3
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64-6.3.3
FreeBSD:13:aarch646.3.36.3.3
FreeBSD:13:amd646.3.36.3.3
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i3866.3.36.3.3
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc646.3.3-
FreeBSD:14:aarch646.3.3-
FreeBSD:14:amd646.3.3-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i3866.3.3-
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc646.3.3-
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gfortran10 : lang/gcc10
  2. cmake : devel/cmake
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran10 : lang/gcc10
Library dependencies:
  1. libopenblas.so : math/openblas
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/grimme-lab/xtb/tar.gz/v6.3.3?dummy=/
Collapse this list.

Number of commits found: 6

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  6.3.3
mat search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
20 Sep 2020 21:19:02
Original commit files touched by this commit Revision:549396  6.3.3
jmd search for other commits by this committer
science/xtb: update to 6.3.3

Bugfixes in models and compiler support.

Changelog: https://github.com/grimme-lab/xtb/releases/tag/v6.3.3
04 Jul 2020 12:19:38
Original commit files touched by this commit Revision:541205  6.3.2
tobik search for other commits by this committer
science/xtb: Unbreak build with GCC 10

/wrkdirs/usr/ports/science/xtb/work/xtb-6.3.0/src/prog/main.F90:626:39:

  626 |          call relaxed_scan(env,mol,wfn,calc)
      |                                       1
Error: Explicit interface required for polymorphic argument at (1)

244494/2020-06-10_18h04m44s/logs/errors/xtb-6.3.0.log" REL="NOFOLLOW">http://package18.nyi.freebsd.org/data/121amd64-default-PR244494/2020-06-10_18h04m44s/logs/errors/xtb-6.3.0.log

PR:		246700
04 Jul 2020 00:13:47
Original commit files touched by this commit Revision:541157  6.3.2
jmd search for other commits by this committer
science/xtb: upgrade to 6.3.2

Maintenance and bugfix release.

Release notes: https://github.com/grimme-lab/xtb/releases/tag/v6.3.2
15 Jun 2020 23:23:16
Original commit files touched by this commit Revision:539300  6.3.1
jmd search for other commits by this committer
science/xtb: update to release 6.3.1

various correctness bugfixes, especially for GFN-FF
28 May 2020 22:05:42
Original commit files touched by this commit Revision:536821  6.3.0
jmd search for other commits by this committer
new port: science/xtb

xtb is a semiempirical extended tight-binding program package with
application in computational chemistry and matrials science.

Port is configured to use OpenBLAS to facilitate performance.

WWW: https://github.com/grimme-lab/xtb

Number of commits found: 6