| Commit message (Collapse) | Author | Age | Files | Lines |
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Approved by: portmgr blanket
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svn path=/head/; revision=405891
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PR: 204056
Submitted by: mat
Reviewed by: bapt
Sponsored by: Absolight
Differential Revision: https://reviews.freebsd.org/D2735
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svn path=/head/; revision=400848
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- 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
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svn path=/head/; revision=393766
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svn path=/head/; revision=357307
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svn path=/head/; revision=349223
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science)
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svn path=/head/; revision=327767
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- no difference in previous distfile (ie. checksum)
- remove unneeded dist_subdir directive
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svn path=/head/; revision=319554
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Submitted by: pointhat (erwin@)
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svn path=/head/; revision=318449
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- unbreak as distfile is unversioned
- future mismatches should be investigated as potential software updates
Approved by: portmgr (erwin)
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svn path=/head/; revision=315750
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Reported by: pointyhat
Approved by: portmgr
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svn path=/head/; revision=315612
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PR: 176547
Submitted by: ports fury
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svn path=/head/; revision=313208
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svn path=/head/; revision=305130
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svn path=/head/; revision=295101
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svn path=/head/; revision=276984
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svn path=/head/; revision=276095
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- Bump PORTREVISIOON
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svn path=/head/; revision=264605
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svn path=/head/; revision=259389
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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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svn path=/head/; revision=241710
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