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Port details
coordgenlibs Schrodinger-developed 2D coordinate generation
3.0.2 science on this many watch lists=1 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 3.0.2Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-10-25 07:37:18
Last Update: 2023-02-05 21:04:12
Commit Hash: 56c93ca
People watching this port, also watch:: rubygem-optimist, ladspa, gstreamer1-plugins-pango, en-hunspell, py39-pycparser
License: BSD3CLAUSE
WWW:
https://github.com/schrodinger/coordgenlibs
Description:
This is Schrodinger, Inc's 2D coordinate generation. The emphasis of these algorithms are on quality of 2D coordinates rather than speed of generation. The algorithm distinguishes itself from many others by doing well with both macrocycles and metal complexes. It also does extremely well on typical drug-like small molecules, and has been validated on millions of compounds.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (33 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/coordgenlibs-3.0.2/catalog.mk
  3. /usr/local/share/licenses/coordgenlibs-3.0.2/LICENSE
  4. /usr/local/share/licenses/coordgenlibs-3.0.2/BSD3CLAUSE
  5. include/coordgen/CoordgenConfig.hpp
  6. include/coordgen/CoordgenFragmentBuilder.h
  7. include/coordgen/CoordgenFragmenter.h
  8. include/coordgen/CoordgenMacrocycleBuilder.h
  9. include/coordgen/CoordgenMinimizer.h
  10. include/coordgen/sketcherMinimizer.h
  11. include/coordgen/sketcherMinimizerAtom.h
  12. include/coordgen/sketcherMinimizerBendInteraction.h
  13. include/coordgen/sketcherMinimizerBond.h
  14. include/coordgen/sketcherMinimizerClashInteraction.h
  15. include/coordgen/sketcherMinimizerEZConstrainInteraction.h
  16. include/coordgen/sketcherMinimizerFragment.h
  17. include/coordgen/sketcherMinimizerInteraction.h
  18. include/coordgen/sketcherMinimizerMarchingSquares.h
  19. include/coordgen/sketcherMinimizerMaths.h
  20. include/coordgen/sketcherMinimizerMolecule.h
  21. include/coordgen/sketcherMinimizerResidue.h
  22. include/coordgen/sketcherMinimizerResidueInteraction.h
  23. include/coordgen/sketcherMinimizerRing.h
  24. include/coordgen/sketcherMinimizerStretchInteraction.h
  25. lib/cmake/coordgen-config-release.cmake
  26. lib/cmake/coordgen-config.cmake
  27. lib/libcoordgen.so
  28. lib/libcoordgen.so.3
  29. lib/libcoordgen.so.3.0.2
  30. share/coordgen/templates.mae
  31. @owner
  32. @group
  33. @mode
Collapse this list.
Dependency lines:
  • coordgenlibs>0:science/coordgenlibs
To install the port:
cd /usr/ports/science/coordgenlibs/ && make install clean
To add the package, run one of these commands:
  • pkg install science/coordgenlibs
  • pkg install coordgenlibs
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: coordgenlibs
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1675623238 SHA256 (schrodinger-coordgenlibs-v3.0.2_GH0.tar.gz) = f67697434f7fec03bca150a6d84ea0e8409f6ec49d5aab43badc5833098ff4e3 SIZE (schrodinger-coordgenlibs-v3.0.2_GH0.tar.gz) = 166817

Packages (timestamps in pop-ups are UTC):
coordgenlibs
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest3.0.23.0.21.4.23.0.23.0.2-1.4.2-
FreeBSD:13:quarterly3.0.23.0.23.0.23.0.23.0.23.0.23.0.23.0.2
FreeBSD:14:latest3.0.23.0.23.0.13.0.23.0.23.0.2-3.0.2
FreeBSD:14:quarterly3.0.23.0.2-3.0.23.0.23.0.23.0.23.0.2
FreeBSD:15:latest3.0.23.0.2n/a3.0.2n/a3.0.23.0.23.0.2
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. dynamic_bitset.hpp : devel/boost-libs
  2. cmake : devel/cmake-core
  3. ninja : devel/ninja
Library dependencies:
  1. libmaeparser.so : science/maeparser
This port is required by:
for Libraries
  1. science/openbabel
  2. science/rdkit

Configuration Options:
No options to configure
Options name:
science_coordgenlibs
USES:
cmake:testing compiler:c++11-lang localbase:ldflags
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/schrodinger/coordgenlibs/tar.gz/v3.0.2?dummy=/
Collapse this list.

Number of commits found: 25

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
3.0.2
05 Feb 2023 21:04:12
commit hash: 56c93ca3b44b3fcc387ca9e0b772f5186c054916commit hash: 56c93ca3b44b3fcc387ca9e0b772f5186c054916commit hash: 56c93ca3b44b3fcc387ca9e0b772f5186c054916commit hash: 56c93ca3b44b3fcc387ca9e0b772f5186c054916 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/coordgenlibs: Update 3.0.1 → 3.0.2

Reported by:	portscout
3.0.1
10 Sep 2022 05:27:49
commit hash: 9495bf60866d82ac5d9cc2aabe685511af823ea0commit hash: 9495bf60866d82ac5d9cc2aabe685511af823ea0commit hash: 9495bf60866d82ac5d9cc2aabe685511af823ea0commit hash: 9495bf60866d82ac5d9cc2aabe685511af823ea0 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/coordgenlibs: Update 3.0.0 -> 3.0.1

Reported by:	portscout
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)
3.0.0_1
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)
3.0.0_1
12 Aug 2022 14:46:53
commit hash: 4cf39decb348615b9c8a28370d987a85d1b8a5edcommit hash: 4cf39decb348615b9c8a28370d987a85d1b8a5edcommit hash: 4cf39decb348615b9c8a28370d987a85d1b8a5edcommit hash: 4cf39decb348615b9c8a28370d987a85d1b8a5ed files touched by this commit
Dima Panov (fluffy) search for other commits by this committer
*/*: bump all consumers after recent boost upgrade
3.0.0
09 Sep 2021 20:00:09
commit hash: 8eb9c3421ede92d3ffb5a993365a635d73cff285commit hash: 8eb9c3421ede92d3ffb5a993365a635d73cff285commit hash: 8eb9c3421ede92d3ffb5a993365a635d73cff285commit hash: 8eb9c3421ede92d3ffb5a993365a635d73cff285 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/coordgenlibs: Update 2.0.3 -> 3.0.0
2.0.3
11 Jun 2021 09:57:59
commit hash: cecec6701874b4a53d8148582fd690dd71b09ea8commit hash: cecec6701874b4a53d8148582fd690dd71b09ea8commit hash: cecec6701874b4a53d8148582fd690dd71b09ea8commit hash: cecec6701874b4a53d8148582fd690dd71b09ea8 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/coordgenlibs: Update 1.4.2 -> 2.0.3
1.4.2
07 Apr 2021 08:09:01
commit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
1.4.2
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
1.4.2
14 Oct 2020 08:11:18
Revision:552312Original commit files touched by this commit
yuri search for other commits by this committer
science/coordgenlibs: Update 1.4.1 -> 1.4.2

Reported by:	portscout
1.4.1
29 Jun 2020 00:46:52
Revision:540734Original commit files touched by this commit
yuri search for other commits by this committer
science/coordgenlibs: Update 1.4.0-6 -> 1.4.1

Reported by:	portscout
1.4.0.6
10 May 2020 19:36:07
Revision:534861Original commit files touched by this commit
yuri search for other commits by this committer
science/coordgenlibs: Update 1.4.0 -> 1.4.0-6; Fix the missing file
templates.mae problem

The upstream fails to install templates.mae.
The port now makes up for this by installing a reasonable default.
1.4.0
17 Mar 2020 07:32:33
Revision:528566Original commit files touched by this commit
yuri search for other commits by this committer
science/coordgenlibs: Update 1.3.2 -> 1.4.0

Reported by:	portscout
1.3.2
03 Jan 2020 05:23:02
Revision:521902Original commit files touched by this commit
yuri search for other commits by this committer
science/coordgenlibs: Update 1.2.2 -> 1.3.2

Reported by:	portscout
1.2.2_4
11 Dec 2019 17:53:49
Revision:519824Original commit files touched by this commit
jbeich search for other commits by this committer
devel/boost-*: update to 1.72.0

Changes:	http://www.boost.org/users/history/version_1_72_0.html
PR:		241449
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D22136
1.2.2_3
19 Aug 2019 15:35:28
Revision:509290Original commit files touched by this commit
jbeich search for other commits by this committer
devel/boost-*: update to 1.71.0

Changes:	http://www.boost.org/users/history/version_1_71_0.html
PR:		238827
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D20774
1.2.2_2
26 Jul 2019 20:46:57
Revision:507372Original commit files touched by this commit
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
1.2.2_1
12 Apr 2019 06:36:31
Revision:498698Original commit files touched by this commit
jbeich search for other commits by this committer
devel/boost-*: update to 1.70.0

Changes:	http://www.boost.org/users/history/version_1_70_0.html
PR:		235956
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D19303
1.2.2
16 Mar 2019 05:51:15
Revision:495847Original commit files touched by this commit
yuri search for other commits by this committer
science/coordgenlibs: Update 1.2.1 -> 1.2.2

Reported by:	portscout
1.2.1
02 Mar 2019 07:14:19
Revision:494368Original commit files touched by this commit
yuri search for other commits by this committer
science/coordgenlibs: Update 1.2 -> 1.2.1

Reported by:	portscout
1.2_2
25 Dec 2018 20:25:40
Revision:488341Original commit files touched by this commit
tcberner search for other commits by this committer
Change cmake default behaviour to outsource.

Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".

I tried to only set insource where explictely needed.

PR:		232038
Exp-run by:	antoine
1.2_2
12 Dec 2018 01:35:36
Revision:487272Original commit files touched by this commit
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
1.2_1
12 Dec 2018 00:15:50
Revision:487266Original commit files touched by this commit
jbeich search for other commits by this committer
devel/boost-*: update to 1.69.0

Changes:	http://www.boost.org/users/history/version_1_69_0.html
PR:		232525
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D17645
1.2
06 Dec 2018 08:06:50
Revision:486742Original commit files touched by this commit
yuri search for other commits by this committer
science/coordgenlibs: Update 1.1 -> 1.2

Reported by:	portscout
1.1
25 Oct 2018 07:36:58
Revision:482958Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generation

Number of commits found: 25