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* Stagify.Vanilla I. Shu2014-06-101-3/+2
| | | | Notes: svn path=/head/; revision=357307
* - Bump PORTREVISION. Freepascal compiler was updated to 2.6.4Jose Alonso Cardenas Marquez2014-03-261-0/+1
| | | | Notes: svn path=/head/; revision=349223
* Add NO_STAGE all over the place in preparation for the staging support (cat: ↵Baptiste Daroussin2013-09-201-0/+1
| | | | | | | science) Notes: svn path=/head/; revision=327767
* - worked with upstream to roll versioned source distfileJason Helfman2013-06-012-5/+3
| | | | | | | | - no difference in previous distfile (ie. checksum) - remove unneeded dist_subdir directive Notes: svn path=/head/; revision=319554
* - update to 0.5Jason Helfman2013-05-182-3/+3
| | | | | | | Submitted by: pointhat (erwin@) Notes: svn path=/head/; revision=318449
* - update to 0.4eJason Helfman2013-04-072-5/+3
| | | | | | | | | | - unbreak as distfile is unversioned - future mismatches should be investigated as potential software updates Approved by: portmgr (erwin) Notes: svn path=/head/; revision=315750
* - Mark BROKEN checksum mismatchMartin Wilke2013-03-301-0/+2
| | | | | | | | Reported by: pointyhat Approved by: portmgr Notes: svn path=/head/; revision=315612
* - Update to 0.4dMartin Wilke2013-03-022-11/+17
| | | | | | | | PR: 176547 Submitted by: ports fury Notes: svn path=/head/; revision=313208
* - Reassign to the heap at maintainer's requestThomas Abthorpe2012-10-011-6/+2
| | | | Notes: svn path=/head/; revision=305130
* - Bump PORTREVISION (freepascal ports were updated)Jose Alonso Cardenas Marquez2012-04-191-1/+1
| | | | Notes: svn path=/head/; revision=295101
* - remove MD5Olli Hauer2011-07-031-1/+0
| | | | Notes: svn path=/head/; revision=276984
* - Bump PORTREVISION. lang/fpc has been updated to 2.4.4Jose Alonso Cardenas Marquez2011-06-231-1/+1
| | | | Notes: svn path=/head/; revision=276095
* - Welcome to fpc 2.4.2Jose Alonso Cardenas Marquez2010-11-151-1/+1
| | | | | | | - Bump PORTREVISIOON Notes: svn path=/head/; revision=264605
* - Bump PORTREVISION. lang/fpc was updated and now it supports amd64Jose Alonso Cardenas Marquez2010-08-161-0/+1
| | | | Notes: svn path=/head/; revision=259389
* Checkmol is a command-line utility program which reads molecularMartin Wilke2009-09-193-0/+61
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> Notes: svn path=/head/; revision=241710
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