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Port details
dftd4 Atomic-charge dependent london dispersion correction computation
3.6.0_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 3.5.0_1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-01-04 20:27:16
Last Update: 2024-06-21 17:49:24
Commit Hash: e2cd113
License: GPLv3
WWW:
https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4/
Description:
D4 is a generally applicable atomic-charge dependent london dispersion correction calculator.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (45 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/dftd4-3.6.0_1/catalog.mk
  3. /usr/local/share/licenses/dftd4-3.6.0_1/LICENSE
  4. /usr/local/share/licenses/dftd4-3.6.0_1/GPLv3
  5. bin/dftd4
  6. include/dftd4.h
  7. include/dftd4/dftd4.mod
  8. include/dftd4/dftd4_api.mod
  9. include/dftd4/dftd4_blas.mod
  10. include/dftd4/dftd4_charge.mod
  11. include/dftd4/dftd4_cutoff.mod
  12. include/dftd4/dftd4_damping.mod
  13. include/dftd4/dftd4_damping_atm.mod
  14. include/dftd4/dftd4_damping_rational.mod
  15. include/dftd4/dftd4_data.mod
  16. include/dftd4/dftd4_data_covrad.mod
  17. include/dftd4/dftd4_data_en.mod
  18. include/dftd4/dftd4_data_hardness.mod
  19. include/dftd4/dftd4_data_r4r2.mod
  20. include/dftd4/dftd4_data_zeff.mod
  21. include/dftd4/dftd4_disp.mod
  22. include/dftd4/dftd4_model.mod
  23. include/dftd4/dftd4_ncoord.mod
  24. include/dftd4/dftd4_numdiff.mod
  25. include/dftd4/dftd4_output.mod
  26. include/dftd4/dftd4_param.mod
  27. include/dftd4/dftd4_reference.mod
  28. include/dftd4/dftd4_utils.mod
  29. include/dftd4/dftd4_version.mod
  30. lib/cmake/dftd4/Findcustom-blas.cmake
  31. lib/cmake/dftd4/Findmctc-lib.cmake
  32. lib/cmake/dftd4/Findmstore.cmake
  33. lib/cmake/dftd4/Findmulticharge.cmake
  34. lib/cmake/dftd4/dftd4-config-version.cmake
  35. lib/cmake/dftd4/dftd4-config.cmake
  36. lib/cmake/dftd4/dftd4-targets-release.cmake
  37. lib/cmake/dftd4/dftd4-targets.cmake
  38. lib/cmake/dftd4/dftd4-utils.cmake
  39. lib/libdftd4.so
  40. lib/libdftd4.so.3
  41. lib/libdftd4.so.3.6.0
  42. libdata/pkgconfig/dftd4.pc
  43. @owner
  44. @group
  45. @mode
Collapse this list.
Dependency lines:
  • dftd4>0:science/dftd4
To install the port:
cd /usr/ports/science/dftd4/ && make install clean
To add the package, run one of these commands:
  • pkg install science/dftd4
  • pkg install dftd4
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: dftd4
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1713733317 SHA256 (dftd4-dftd4-v3.6.0_GH0.tar.gz) = 0e3e8d5f9e9e5414b9979967c074c953706053832e551d922c27599e7324bace SIZE (dftd4-dftd4-v3.6.0_GH0.tar.gz) = 355901

Packages (timestamps in pop-ups are UTC):
dftd4
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-3.6.0-3.6.03.6.0_1---
FreeBSD:13:quarterly-3.5.0_1-3.5.0_13.5.0_1-3.5.0_1-
FreeBSD:14:latest-3.6.0_1-3.6.03.6.0_1---
FreeBSD:14:quarterly-3.5.0_1-3.5.0_13.5.0_1-3.5.0_1-
FreeBSD:15:latest-3.6.0n/a3.6.0n/a-3.5.0_13.5.0_1
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. mstore>0 : science/mstore
  2. cmake : devel/cmake-core
  3. gfortran13 : lang/gcc13
  4. as : devel/binutils
Runtime dependencies:
  1. gfortran13 : lang/gcc13
Library dependencies:
  1. libmctc-lib.so : science/mctc-lib
  2. libmulticharge.so : science/multicharge
  3. libopenblas.so : math/openblas
This port is required by:
for Libraries
  1. science/py-dftd4
  2. science/tblite

Configuration Options:
No options to configure
Options name:
science_dftd4
USES:
cmake:testing fortran
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/dftd4/dftd4/tar.gz/v3.6.0?dummy=/
Collapse this list.

Number of commits found: 15

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
3.6.0_1
21 Jun 2024 17:49:24
commit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fe files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade to OpenBLAS
3.6.0
21 Apr 2024 22:18:41
commit hash: 4280c24ced47981a540ffeaf43ca7fed4191a513commit hash: 4280c24ced47981a540ffeaf43ca7fed4191a513commit hash: 4280c24ced47981a540ffeaf43ca7fed4191a513commit hash: 4280c24ced47981a540ffeaf43ca7fed4191a513 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
Author: Andrey Korobkov
science/{,py-}dftd4: update 3.5.0 → 3.6.0

PR:	278516
3.5.0_1
12 Dec 2023 19:03:50
commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0 files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade of OpenBLAS

PR:		273219
3.5.0
03 Aug 2023 10:40:00
commit hash: c75c1e9f18c570aab0de8dfb07efaf28bc3487a6commit hash: c75c1e9f18c570aab0de8dfb07efaf28bc3487a6commit hash: c75c1e9f18c570aab0de8dfb07efaf28bc3487a6commit hash: c75c1e9f18c570aab0de8dfb07efaf28bc3487a6 files touched by this commit
Piotr Kubaj (pkubaj) search for other commits by this committer
science/dftd4: remove stale powerpc* lines
3.5.0
03 Aug 2023 07:02:07
commit hash: e97d53ec38d8f9c0df81f373f5ee874b2d9bc729commit hash: e97d53ec38d8f9c0df81f373f5ee874b2d9bc729commit hash: e97d53ec38d8f9c0df81f373f5ee874b2d9bc729commit hash: e97d53ec38d8f9c0df81f373f5ee874b2d9bc729 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftd4: Correct pkg-descr
3.5.0
18 Jun 2023 18:43:47
commit hash: 119327eb7616f45b8d947eae875bb4087a5390a7commit hash: 119327eb7616f45b8d947eae875bb4087a5390a7commit hash: 119327eb7616f45b8d947eae875bb4087a5390a7commit hash: 119327eb7616f45b8d947eae875bb4087a5390a7 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftd4: Update 3.4.0 → 3.5.0

Reported by:	portscout
3.4.0_1
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
3.4.0
21 Dec 2022 07:13:58
commit hash: 931a26db83fb0846d7d940f8412f6376e468edc9commit hash: 931a26db83fb0846d7d940f8412f6376e468edc9commit hash: 931a26db83fb0846d7d940f8412f6376e468edc9commit hash: 931a26db83fb0846d7d940f8412f6376e468edc9 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
*/*: Limit BROKEN statement for missing ieee_arithmetic.mod feature on
powerpc64*

... to only systems where it isn't yet enabled.

Reported by:	pkubaj@
3.4.0
20 Dec 2022 06:54:24
commit hash: 018b9673b7c5c24afac7e5be9eefa8ddd21711f5commit hash: 018b9673b7c5c24afac7e5be9eefa8ddd21711f5commit hash: 018b9673b7c5c24afac7e5be9eefa8ddd21711f5commit hash: 018b9673b7c5c24afac7e5be9eefa8ddd21711f5 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftd4: Broken on powerpc64 and powerpc64le

Reported by:	fallout
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Remove WWW entries moved into port Makefiles

Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
3.4.0
07 Sep 2022 21:10:59
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Add WWW entries to port Makefiles

It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.

Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.

There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above View all of this commit message)
3.4.0
30 Apr 2022 19:48:30
commit hash: 65a43dffbefae08767a692f44c6a7f0da703a164commit hash: 65a43dffbefae08767a692f44c6a7f0da703a164commit hash: 65a43dffbefae08767a692f44c6a7f0da703a164commit hash: 65a43dffbefae08767a692f44c6a7f0da703a164 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftd4: Update 3.3.0 -> 3.4.0

Reported by:	portscout
3.3.0_1
20 Mar 2022 19:20:21
commit hash: b06576bbb36f140d6726ea72e5d0725dd1ff31f8commit hash: b06576bbb36f140d6726ea72e5d0725dd1ff31f8commit hash: b06576bbb36f140d6726ea72e5d0725dd1ff31f8commit hash: b06576bbb36f140d6726ea72e5d0725dd1ff31f8 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftd4: Broken on aarch64

Reported by:	portscout
3.3.0_1
18 Jan 2022 20:12:05
commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
*/*: In 7 ports remove GNU-10.3.0 from install paths

This makes them prone to breaking when GCC version is changed.

Reported by:	diizzy@
3.3.0
04 Jan 2022 20:23:11
commit hash: 646aaca321c3eea493a66ccdc539ed76a1cd46b8commit hash: 646aaca321c3eea493a66ccdc539ed76a1cd46b8commit hash: 646aaca321c3eea493a66ccdc539ed76a1cd46b8commit hash: 646aaca321c3eea493a66ccdc539ed76a1cd46b8 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftd4: New port: Atomic-charge dependent london dispersion correction
computation

Number of commits found: 15