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Port details
checkmol Analyze molecules for the presence of functional groups
0.5_8 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. 0.5_8Version of this port present on the latest quarterly branch.
Maintainer: acm@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2009-09-19 09:54:11
Last Update: 2020-03-06 06:26:05
SVN Revision: 527858
License: GPLv2+
Description:
SVNWeb : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (5 items)
  1. bin/checkmol
  2. bin/matchmol
  3. /usr/local/share/licenses/checkmol-0.5_8/catalog.mk
  4. /usr/local/share/licenses/checkmol-0.5_8/LICENSE
  5. /usr/local/share/licenses/checkmol-0.5_8/GPLv2+
Collapse this list.
Dependency lines:
  • checkmol>0:science/checkmol
To install the port: cd /usr/ports/science/checkmol/ && make install clean
To add the package: pkg install checkmol
PKGNAME: checkmol
Flavors: there is no flavor information for this port.
distinfo:
Packages:
checkmol
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd640.5_80.5_8
FreeBSD:11:armv6--
FreeBSD:11:i3860.5_80.5_8
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64--
FreeBSD:12:amd640.5_80.5_8
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i3860.5_80.5_8
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch64--
FreeBSD:13:amd640.5_8-
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i3860.5_8-
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. as : devel/binutils
  2. ppcx64 : lang/fpc
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
  1. http://merian.pch.univie.ac.at/pch/download/chemistry/checkmol/

Number of commits found: 27

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
06 Mar 2020 06:26:05
Original commit files touched by this commit  0.5_8
Revision:527858
acm search for other commits by this committer
- Remove compat < 11 dependencies from bootstrap and compiler. It could fix
problems
  when GENERIC kernel is not used.
- Rebuild bootstrap (ppcx64 and ppc386) with new changes
- Bump PORTREVISION

PR:		239135
Reported by:	fbsdbugs4  at  sentry.org
31 Dec 2019 15:11:19
Original commit files touched by this commit  0.5_7
Revision:521624
acm search for other commits by this committer
- Change LDPATH to FPC_LDPATH into lang/fpc/Makefile. It can be changed from
  /etc/make.conf
- Add FPC_LDPATH to freepascal compiler. By default it is defined to
  %%LOCALBASE%%/bin/ld.bfd but it can be changed setting FPC_LDPATH environment
  variable
- Remove compatX dependencies from bootstrap and compiler. It could fix problems
  when GENERIC kernel is not used [1]
- Rebuild bootstrap (ppcx64 and ppc386) with new changes
- Bump PORTREVISION

PR:		239135
Submitted by:	fbsdbugs4 __at__ sentry.org
06 Nov 2019 16:26:35
Original commit files touched by this commit  0.5_6
Revision:516897
antoine search for other commits by this committer
Mark a few ports BROKEN (unfetchable)
03 Sep 2019 15:51:51
Original commit files touched by this commit  0.5_6
Revision:510956
acm search for other commits by this committer
- Rebuild bootstrap (ppcx64 and ppc386) with ld patches
- Fix build on 12-STABLE and CURRENT (amd64 and i386)
- Bump PORTREVISION for all ports that depends of lang/fpc
- Add USE_BINUTILS to fpc and lazarus based ports
- Add binutils dependency to Uses/fpc.mk and Uses/lazarus.mk

PR:		240293 239934 233413 214864
Exp-run by:	antoine
15 Aug 2019 16:11:27
Original commit files touched by this commit  0.5_5
Revision:509004
acm search for other commits by this committer
- Add new fpc bootstrap (i386 and x86_64). It could need less COMPATX
  dependencies in kernel
- Add patch file to solve some linking problem
- Remove LD_UNSAFE. Now it can be defined via LDPATH (/usr/bin/ld.bfd by
  default). fpc is not working with lld. We will use binutils-ports when
  ld.bfd is moved from base if lld not working on future version
  of fpc
- Bump PORTREVISION
15 Jan 2019 05:43:59
Original commit files touched by this commit  0.5_4
Revision:490347
acm search for other commits by this committer
- Add LLD_UNSAFE

PR:		214864
05 Apr 2018 04:52:36
Original commit files touched by this commit  0.5_4
Revision:466532
acm search for other commits by this committer
- Migrate Mk/bsd.fpc.mk to Mk/Uses/fpc.mk
- Convert all fpc-based ports to USES=fpc

PR:             227210
Reviewed by:    portmgr
Approved by:    portmgr
Exp-run by:     antoine
Differential Revision:  https://reviews.freebsd.org/D14617
01 Feb 2018 07:32:05
Original commit files touched by this commit  0.5_4
Revision:460573
acm search for other commits by this committer
- Bump PORTREVISION. lang/fpc was updated to 3.0.4
26 Feb 2017 17:48:32
Original commit files touched by this commit  0.5_3
Revision:434899
acm search for other commits by this committer
- Bump PORTREVISION. Freepascal was updated
- Take maintainership
12 Jan 2016 16:20:32
Original commit files touched by this commit  0.5_2
Revision:405891
amdmi3 search for other commits by this committer
Convert LICENSE= "GPLxx # or later" to "GPLxx+"

Approved by:	portmgr blanket
05 Nov 2015 12:36:25
Original commit files touched by this commit  0.5_2
Revision:400848
mat search for other commits by this committer
Fix ports that confused the meaning of WRKDIR and WRKSRC.

PR:		204056
Submitted by:	mat
Reviewed by:	bapt
Sponsored by:	Absolight
Differential Revision:	https://reviews.freebsd.org/D2735
09 Aug 2015 08:06:45
Original commit files touched by this commit  0.5_2
Revision:393766
acm search for other commits by this committer
- editors/lazarus update to 1.4.2
- Add USE_FPC_RUN to bsd.fpc.mk. It add fpc units like run dependencies.
Otherwise
  fpc units only are added like build dependencies (less dependencies registered
  when they are installed with pkg).
- Remove GTK1 obsolete dependencies
- Bump all ports with dependencies of fpc-* units
- Bump all ports with dependencies of lazarus ports
- Clean up
10 Jun 2014 12:52:48
Original commit files touched by this commit  0.5_1
Revision:357307
vanilla search for other commits by this committer
Stagify.
26 Mar 2014 04:04:46
Refresh Original commit files touched by this commit
Revision:349223  Sanity Test Failure
acm search for other commits by this committer
- Bump PORTREVISION. Freepascal compiler was updated to 2.6.4
20 Sep 2013 22:48:31
Original commit files touched by this commit  0.5
Revision:327767
bapt search for other commits by this committer
Add NO_STAGE all over the place in preparation for the staging support (cat:
science)
01 Jun 2013 05:10:39
Original commit files touched by this commit  0.5
Revision:319554
jgh search for other commits by this committer
- worked with upstream to roll versioned source distfile
- no difference in previous distfile (ie. checksum)
- remove unneeded dist_subdir directive
18 May 2013 20:16:55
Original commit files touched by this commit  0.5
Revision:318449
jgh search for other commits by this committer
- update to 0.5

Submitted by:	pointhat (erwin@)
07 Apr 2013 07:11:17
Original commit files touched by this commit  0.4e
Revision:315750
jgh search for other commits by this committer
- update to 0.4e
- unbreak as distfile is unversioned
  - future mismatches should be investigated as potential software updates

Approved by:	portmgr (erwin)
30 Mar 2013 13:19:16
Original commit files touched by this commit  0.4d
Revision:315612
miwi search for other commits by this committer
- Mark BROKEN  checksum mismatch

Reported by:	pointyhat
Approved by:	portmgr
02 Mar 2013 06:30:56
Original commit files touched by this commit  0.4d
Revision:313208
miwi search for other commits by this committer
- Update to 0.4d

PR:		176547
Submitted by:	ports fury
01 Oct 2012 14:45:17
Original commit files touched by this commit  0.4a_4
Revision:305130
tabthorpe search for other commits by this committer
- Reassign to the heap at maintainer's request
19 Apr 2012 06:51:44
Original commit files touched by this commit  0.4a_4

acm search for other commits by this committer
- Bump PORTREVISION (freepascal ports were updated)
03 Jul 2011 13:22:25
Original commit files touched by this commit  0.4a_3

ohauer search for other commits by this committer
 - remove MD5
23 Jun 2011 05:39:27
Original commit files touched by this commit  0.4a_3

acm search for other commits by this committer
- Bump PORTREVISION. lang/fpc has been updated to 2.4.4
15 Nov 2010 22:50:44
Original commit files touched by this commit  0.4a_2

acm search for other commits by this committer
- Welcome to fpc 2.4.2
- Bump PORTREVISIOON
16 Aug 2010 18:46:23
Original commit files touched by this commit  0.4a_1

acm search for other commits by this committer
- Bump PORTREVISION. lang/fpc was updated and now it supports amd64
19 Sep 2009 09:53:55
Original commit files touched by this commit  0.4a

miwi search for other commits by this committer
Checkmol is a command-line utility program which reads molecular
structure files in different formats and analyzes the input
molecule for the presence of various functional groups and structural
elements. At present, approx. 200 different functional groups are
recognized. This output can be easily placed into a database table,
permitting the creation of chemical databases with a functional group
search option. Checkmol also outputs a set of statistical values derived
from a given molecule, which can also be used for quick retrieval from a
database. These values include: the number of atoms, bonds, and rings,
the number of differently hybridized carbon, oxgen, and nitrogen atoms,
the number of C=O double bonds, the number of rings of different sizes,
the number of rings containing nitrogen, oxygen, sulfur, the number of
aromatic rings, the number of heterocyclic rings, etc. The combination
of all of these values for a given molecule represents some kind of
"fingerprint" which is useful for rapid pre-selection in a database
structure/substructure search prior to a full atom-by-atom match.

WWW: http://merian.pch.univie.ac.at/~nhaider/cheminf/cmmm.html

PR:             ports/138670
Feature safe:yes
Submitted by:   Fernan Aguero <fernan at iib.unsam.edu.ar>

Number of commits found: 27

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