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SVNWeb
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Number of commits found: 3 |
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Wed, 7 Sep 2022
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[ 21:58 Stefan Eßer (se)  ]    fb16dfe (Only the first 10 of 27964 ports in this commit are shown above.  )
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)
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Thu, 3 Feb 2022
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[ 05:07 Jose Alonso Cardenas Marquez (acm) ] 0de5507 (Only the first 10 of 12 ports in this commit are shown above. )
lang/fpc: Fix build issue on lazarus i386 and amd64
- Bump PORTREVISION
- Disable some default OPTIONS
Obtained
from: https://forum.lazarus.freepascal.org/index.php/topic,57752.msg429737.html#msg429737
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Sat, 19 Sep 2009
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[ 09:53 miwi ] 
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>
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Number of commits found: 3 |
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