FreshPorts -- science/coordgenlibs: Schrodinger-developed 2D coordinate generation

Port details

coordgenlibs Schrodinger-developed 2D coordinate generation

3.0.2 science =3 3.0.2Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

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:: libssh, p5-MIME-Tools, noto-tc, linux-c7-atk

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.

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Manual pages:

FreshPorts has no man page information for this port.

pkg-plist: as obtained via: make generate-plist

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@ldconfig
/usr/local/share/licenses/coordgenlibs-3.0.2/catalog.mk
/usr/local/share/licenses/coordgenlibs-3.0.2/LICENSE
/usr/local/share/licenses/coordgenlibs-3.0.2/BSD3CLAUSE
include/coordgen/CoordgenConfig.hpp
include/coordgen/CoordgenFragmentBuilder.h
include/coordgen/CoordgenFragmenter.h
include/coordgen/CoordgenMacrocycleBuilder.h
include/coordgen/CoordgenMinimizer.h
include/coordgen/sketcherMinimizer.h
include/coordgen/sketcherMinimizerAtom.h
include/coordgen/sketcherMinimizerBendInteraction.h
include/coordgen/sketcherMinimizerBond.h
include/coordgen/sketcherMinimizerClashInteraction.h
include/coordgen/sketcherMinimizerEZConstrainInteraction.h
include/coordgen/sketcherMinimizerFragment.h
include/coordgen/sketcherMinimizerInteraction.h
include/coordgen/sketcherMinimizerMarchingSquares.h
include/coordgen/sketcherMinimizerMaths.h
include/coordgen/sketcherMinimizerMolecule.h
include/coordgen/sketcherMinimizerResidue.h
include/coordgen/sketcherMinimizerResidueInteraction.h
include/coordgen/sketcherMinimizerRing.h
include/coordgen/sketcherMinimizerStretchInteraction.h
lib/cmake/coordgen-config-release.cmake
lib/cmake/coordgen-config.cmake
lib/libcoordgen.so
lib/libcoordgen.so.3
lib/libcoordgen.so.3.0.2
share/coordgen/templates.mae
@owner
@group
@mode

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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
ABI	aarch64	amd64	armv6	armv7	i386	powerpc	powerpc64	powerpc64le
FreeBSD:13:latest	3.0.2	3.0.2	1.4.2	3.0.2	3.0.2	-	1.4.2	-
FreeBSD:13:quarterly	3.0.2	3.0.2	3.0.2	3.0.2	3.0.2	3.0.2	3.0.2	3.0.2
FreeBSD:14:latest	3.0.2	3.0.2	3.0.1	3.0.2	3.0.2	3.0.2	-	3.0.2
FreeBSD:14:quarterly	3.0.2	3.0.2	-	3.0.2	3.0.2	3.0.2	3.0.2	3.0.2
FreeBSD:15:latest	3.0.2	3.0.2	n/a	3.0.2	n/a	3.0.2	3.0.2	3.0.2

Dependencies

NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Build dependencies:

dynamic_bitset.hpp : devel/boost-libs
cmake : devel/cmake-core
ninja : devel/ninja

Library dependencies:

libmaeparser.so : science/maeparser

This port is required by:

for Libraries

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:

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https://codeload.github.com/schrodinger/coordgenlibs/tar.gz/v3.0.2?dummy=/

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Number of commits found: 25

Commit	Credits	Log message
Commit History - (may be incomplete: for full details, see links to repositories near top of page)
3.0.2 05 Feb 2023 21:04:12	Yuri Victorovich (yuri)	science/coordgenlibs: Update 3.0.1 → 3.0.2 Reported by: portscout
3.0.1 10 Sep 2022 05:27:49	Yuri Victorovich (yuri)	science/coordgenlibs: Update 3.0.0 -> 3.0.1 Reported by: portscout
07 Sep 2022 21:58:51	Stefan Eßer (se)	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	Stefan Eßer (se)	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 )
3.0.0_1 12 Aug 2022 14:46:53	Dima Panov (fluffy)	/: bump all consumers after recent boost upgrade
3.0.0 09 Sep 2021 20:00:09	Yuri Victorovich (yuri)	science/coordgenlibs: Update 2.0.3 -> 3.0.0
2.0.3 11 Jun 2021 09:57:59	Yuri Victorovich (yuri)	science/coordgenlibs: Update 1.4.2 -> 2.0.3
1.4.2 07 Apr 2021 08:09:01	Mathieu Arnold (mat)	One more small cleanup, forgotten yesterday. Reported by: lwhsu
1.4.2 06 Apr 2021 14:31:07	Mathieu Arnold (mat)	Remove # $FreeBSD$ from Makefiles.
1.4.2 14 Oct 2020 08:11:18	yuri	science/coordgenlibs: Update 1.4.1 -> 1.4.2 Reported by: portscout
1.4.1 29 Jun 2020 00:46:52	yuri	science/coordgenlibs: Update 1.4.0-6 -> 1.4.1 Reported by: portscout
1.4.0.6 10 May 2020 19:36:07	yuri	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	yuri	science/coordgenlibs: Update 1.3.2 -> 1.4.0 Reported by: portscout
1.3.2 03 Jan 2020 05:23:02	yuri	science/coordgenlibs: Update 1.2.2 -> 1.3.2 Reported by: portscout
1.2.2_4 11 Dec 2019 17:53:49	jbeich	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	jbeich	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	gerald	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	jbeich	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	yuri	science/coordgenlibs: Update 1.2.1 -> 1.2.2 Reported by: portscout
1.2.1 02 Mar 2019 07:14:19	yuri	science/coordgenlibs: Update 1.2 -> 1.2.1 Reported by: portscout
1.2_2 25 Dec 2018 20:25:40	tcberner	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	gerald	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	jbeich	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	yuri	science/coordgenlibs: Update 1.1 -> 1.2 Reported by: portscout
1.1 25 Oct 2018 07:36:58	yuri	New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generation

Number of commits found: 25

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