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NOTE: the WWW: line in pkg-descr was relocated to a WWW= line in Makefile. Each port in FreshPorts has a homepage link. Look for it right after the Description: on each port's home page.

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Port details
multicharge Electronegativity equilibration model for atomic partial charges
0.2.0 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 Version 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 20:27:18
Last Update: 2022-09-07 21:58:51
Commit Hash: fb16dfe
License: APACHE20
Description:
HomepagecgitgithubgitlabSVNWeb
pkg-plist: as obtained via: make generate-plist
Expand this list (35 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/multicharge-0.2.0/catalog.mk
  3. /usr/local/share/licenses/multicharge-0.2.0/LICENSE
  4. /usr/local/share/licenses/multicharge-0.2.0/APACHE20
  5. bin/multicharge
  6. include/multicharge/multicharge.mod
  7. include/multicharge/multicharge_blas.mod
  8. include/multicharge/multicharge_cutoff.mod
  9. include/multicharge/multicharge_data.mod
  10. include/multicharge/multicharge_data_covrad.mod
  11. include/multicharge/multicharge_ewald.mod
  12. include/multicharge/multicharge_lapack.mod
  13. include/multicharge/multicharge_model.mod
  14. include/multicharge/multicharge_ncoord.mod
  15. include/multicharge/multicharge_output.mod
  16. include/multicharge/multicharge_param.mod
  17. include/multicharge/multicharge_param_eeq2019.mod
  18. include/multicharge/multicharge_version.mod
  19. include/multicharge/multicharge_wignerseitz.mod
  20. lib/cmake/multicharge/Findcustom-blas.cmake
  21. lib/cmake/multicharge/Findcustom-lapack.cmake
  22. lib/cmake/multicharge/Findmctc-lib.cmake
  23. lib/cmake/multicharge/Findmstore.cmake
  24. lib/cmake/multicharge/multicharge-config-version.cmake
  25. lib/cmake/multicharge/multicharge-config.cmake
  26. lib/cmake/multicharge/multicharge-targets-release.cmake
  27. lib/cmake/multicharge/multicharge-targets.cmake
  28. lib/cmake/multicharge/multicharge-utils.cmake
  29. lib/libmulticharge.so
  30. lib/libmulticharge.so.0
  31. lib/libmulticharge.so.0.2.0
  32. libdata/pkgconfig/multicharge.pc
  33. @owner
  34. @group
  35. @mode
Collapse this list.
Dependency lines:
  • multicharge>0:science/multicharge
To install the port:
cd /usr/ports/science/multicharge/ && make install clean
To add the package, run one of these commands:
  • pkg install science/multicharge
  • pkg install multicharge
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: multicharge
Flavors: there is no flavor information for this port.
distinfo:

Packages (timestamps in pop-ups are UTC):
multicharge
ABIlatestquarterly
FreeBSD:11:aarch64pkg-falloutpkg-fallout
FreeBSD:11:amd64pkg-falloutpkg-fallout
FreeBSD:11:armv6pkg-falloutpkg-fallout
FreeBSD:11:i386pkg-falloutpkg-fallout
FreeBSD:11:mipspkg-falloutpkg-fallout
FreeBSD:11:mips64pkg-falloutpkg-fallout
FreeBSD:12:aarch64pkg-fallout0.2.0
FreeBSD:12:amd640.2.00.2.0
FreeBSD:12:armv6pkg-falloutpkg-fallout
FreeBSD:12:armv7pkg-falloutpkg-fallout
FreeBSD:12:i3860.2.00.2.0
FreeBSD:12:mipspkg-falloutpkg-fallout
FreeBSD:12:mips64pkg-falloutpkg-fallout
FreeBSD:12:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:aarch640.2.00.2.0
FreeBSD:13:amd640.2.00.2.0
FreeBSD:13:armv6pkg-falloutpkg-fallout
FreeBSD:13:armv70.2.00.2.0
FreeBSD:13:i3860.2.00.2.0
FreeBSD:13:mipspkg-falloutpkg-fallout
FreeBSD:13:mips64pkg-falloutpkg-fallout
FreeBSD:13:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:riscv64pkg-falloutpkg-fallout
FreeBSD:14:aarch640.2.0pkg-fallout
FreeBSD:14:amd640.2.0pkg-fallout
FreeBSD:14:armv6pkg-falloutpkg-fallout
FreeBSD:14:armv70.2.0pkg-fallout
FreeBSD:14:i3860.2.0pkg-fallout
FreeBSD:14:mipspkg-falloutpkg-fallout
FreeBSD:14:mips64pkg-falloutpkg-fallout
FreeBSD:14:powerpc64pkg-falloutpkg-fallout
FreeBSD:14:riscv64pkg-falloutpkg-fallout
 

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. gfortran11 : lang/gcc11
  4. as : devel/binutils
Runtime dependencies:
  1. gfortran11 : lang/gcc11
Library dependencies:
  1. libmctc-lib.so : science/mctc-lib
  2. libopenblas.so : math/openblas
This port is required by:
for Libraries
  1. science/dftd4
  2. science/tblite

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/multicharge/tar.gz/v0.2.0?dummy=/
Collapse this list.

Number of commits found: 5

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
07 Sep 2022 21:58:51
commit 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)
0.2.0
07 Sep 2022 21:10:59
commit 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)
0.2.0
06 May 2022 06:21:10
commit hash:902b3aaccd5cde4868a986bf449b27c930499dd6commit hash:902b3aaccd5cde4868a986bf449b27c930499dd6commit hash:902b3aaccd5cde4868a986bf449b27c930499dd6 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/multicharge: Update 0.1.2 -> 0.2.0

Reported by:	portscout
0.1.2_1
18 Jan 2022 20:12:05
commit 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@
0.1.2
04 Jan 2022 20:26:13
commit hash:912aa553ca9bc33bb5597f77c5067a14c10d41e2commit hash:912aa553ca9bc33bb5597f77c5067a14c10d41e2commit hash:912aa553ca9bc33bb5597f77c5067a14c10d41e2 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/multicharge: New port: Electronegativity equilibration model for atomic
partial charges

Number of commits found: 5