cpet/freebsd-ports
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
4deddb544f
freebsd-ports/science
History
Martin Wilke 4deddb544f Perl module which will parse a SMARTS (SMiles ARbitrary Target Specification) 
string, generating a Chemistry::Pattern object. It is a file I/O driver for
the PerlMol toolkit.

WWW:	http://search.cpan.org/dist/Chemistry-File-SMARTS/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:32:52 +00:00
..
2d-rewriter - Update to 1.4 2010-01-12 03:02:16 +00:00
2dhf - Change sed delimiters away from , 2009-10-04 20:26:01 +00:00
abinit - Bump PORTREVISION to chase the update of math/gsl 2010-03-29 01:12:27 +00:00
afni - update to 1.4.1 2010-03-28 06:47:48 +00:00
at Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now 2009-09-13 00:08:01 +00:00
avogadro - update to 1.4.1 2010-03-28 06:47:48 +00:00
bblimage
bft
bodr - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
brian - update to 1.4.1 2010-03-28 06:47:48 +00:00
buddy - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
cdcl - update to 1.4.1 2010-03-28 06:47:48 +00:00
cdf - Update to 3.3.0 2010-01-21 21:14:54 +00:00
cdo - Update to 1.4.1 2010-02-08 22:03:10 +00:00
cgnslib Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now 2009-09-13 00:08:01 +00:00
checkmol Checkmol is a command-line utility program which reads molecular 2009-09-19 09:53:55 +00:00
chemical-mime-data - update to 1.4.1 2010-03-28 06:47:48 +00:00
chemtool - update to 1.4.1 2010-03-28 06:47:48 +00:00
chemtool-devel - update to 1.4.1 2010-03-28 06:47:48 +00:00
clhep - Update to 2.0.4.6 2010-03-12 12:28:58 +00:00
colt
crf++ - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
dcl Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now 2009-09-13 00:08:01 +00:00
devisor
dtiquery - update to 1.4.1 2010-03-28 06:47:48 +00:00
ecs - update to 1.4.1 2010-03-28 06:47:48 +00:00
elmer-eio - Update my mail address to FreeBSD 2009-11-27 22:52:30 +00:00
elmer-fem - Update my mail address to FreeBSD 2009-11-27 22:52:30 +00:00
elmer-hutiter - Update my mail address to FreeBSD 2009-11-27 22:52:30 +00:00
elmer-matc - Update my mail address to FreeBSD 2009-11-27 22:52:30 +00:00
elmer-meshgen2d - Update my mail address to FreeBSD 2009-11-27 22:52:30 +00:00
elmergrid - Update my mail address to FreeBSD 2009-11-27 22:52:30 +00:00
elmerpost - Update my mail address to FreeBSD 2009-11-27 22:52:30 +00:00
euler - update to 1.4.1 2010-03-28 06:47:48 +00:00
fastcap
fasthenry
felt - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
flounder - update to 1.4.1 2010-03-28 06:47:48 +00:00
fvm - Chase relocation of net/mpich2 2009-11-28 10:44:56 +00:00
g3data - update to 1.4.1 2010-03-28 06:47:48 +00:00
gamess Fix SMP run on amd64, and bump port revision 2010-02-16 23:53:17 +00:00
gave - update to 1.4.1 2010-03-28 06:47:48 +00:00
gchemutils - update to 1.4.1 2010-03-28 06:47:48 +00:00
gdis - update to 1.4.1 2010-03-28 06:47:48 +00:00
gerris - update to 1.4.1 2010-03-28 06:47:48 +00:00
getdp - Bump PORTREVISION to chase the update of math/gsl 2010-03-29 01:12:27 +00:00
ghemical - update to 1.4.1 2010-03-28 06:47:48 +00:00
ghmm - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
gnudatalanguage - Bump PORTREVISION to chase the update of math/gsl 2010-03-29 01:12:27 +00:00
gramps - update to 1.4.1 2010-03-28 06:47:48 +00:00
gromacs - Bump PORTREVISION to chase the update of math/gsl 2010-03-29 01:12:27 +00:00
gsmc - update to 1.4.1 2010-03-28 06:47:48 +00:00
gsystem - update to 1.4.1 2010-03-28 06:47:48 +00:00
gtamsanalyzer - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
gwyddion - update to 1.4.1 2010-03-28 06:47:48 +00:00
harminv Harminv is a free program (and accompanying library) to solve the problem 2010-01-02 02:54:00 +00:00
hdf - update to jpeg-8 2010-02-05 11:46:55 +00:00
hdf5 - Add CONFLICTS with science/hdf5-18 2009-12-10 19:15:13 +00:00
hdf5-18 Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now 2009-09-13 00:08:01 +00:00
hdf-java The HDF Java Products include a visual tool for browsing and editing HDF 2010-02-13 11:21:53 +00:00
hs-bio This is a collection of Haskell data structures and algorithms useful for 2010-01-03 05:02:13 +00:00
ics - update to 1.4.1 2010-03-28 06:47:48 +00:00
InsightToolkit - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
isaac-cfd Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now 2009-09-13 00:08:01 +00:00
jmol - Update to 11.8.7 2009-10-09 13:07:57 +00:00
kmovisto - update to 1.4.1 2010-03-28 06:47:48 +00:00
kst - Bump PORTREVISION to chase the update of math/gsl 2010-03-29 01:12:27 +00:00
kst2 - Bump PORTREVISION to chase the update of math/gsl 2010-03-29 01:12:27 +00:00
lamprop
libctl - Update to 3.1 2010-01-24 02:11:31 +00:00
libghemical - Mark BROKEN: does not compile 2010-03-02 23:08:23 +00:00
libint
libkml libkml is a library for use with applications that want to 2009-10-07 11:10:21 +00:00
liblinear - Update to 1.5 2009-10-29 11:09:53 +00:00
liboglappth
libquantum libquantum is a C library for the simulation of quantum 2009-08-14 20:02:07 +00:00
libsvm - Update to 2.9 2009-11-03 06:07:36 +00:00
libsvm-python
linsmith - update to 1.4.1 2010-03-28 06:47:48 +00:00
mayavi - update to 1.4.1 2010-03-28 06:47:48 +00:00
mbdyn - Chase relocation of net/mpich2 2009-11-28 10:44:56 +00:00
mcstas - update to 1.4.1 2010-03-28 06:47:48 +00:00
medit
meep Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation 2010-01-25 00:27:10 +00:00
minc -Repocopy devel/libtool15 -> libtool22 and libltdl15 -> libltdl22. 2009-08-02 19:36:34 +00:00
minc2 -Repocopy devel/libtool15 -> libtool22 and libltdl15 -> libltdl22. 2009-08-02 19:36:34 +00:00
mol2ps mol2ps is a freely available command-line utility program which reads 2009-09-19 11:02:46 +00:00
mpb - Bump PORTREVISION to chase the update of libctl 2010-01-24 02:14:17 +00:00
mpqc - update to 1.4.1 2010-03-28 06:47:48 +00:00
mpqc-mpich
ncs - update to 1.4.1 2010-03-28 06:47:48 +00:00
netcdf - Update WWW 2009-09-16 08:11:37 +00:00
netcdf4 - Move pkgconfig config to libdata, just like others do 2009-09-27 03:05:25 +00:00
netcdf-ftn
nifticlib - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
oases Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now 2009-09-13 00:08:01 +00:00
omnetpp - update to 1.4.1 2010-03-28 06:47:48 +00:00
openbabel Builds on ia64. 2009-11-11 16:12:14 +00:00
ovt - update to 1.4.1 2010-03-28 06:47:48 +00:00
p5-Algorithm-SVMLight
p5-Chemistry-Bond-Find Perl module which provides functions for detecting the bonds in a molecule from 2010-04-02 15:24:14 +00:00
p5-Chemistry-Canonicalize Perl module which provides functions for "canonicalizing" a molecular 2010-04-02 15:25:12 +00:00
p5-Chemistry-Elements - lang/perl5.6 is dead, remove PERL_LEVEL/PERL_VERSION < 500801 checks 2009-07-22 16:27:08 +00:00
p5-Chemistry-File-Mopac MOPAC 6 input file reader/writer 2010-04-02 15:32:24 +00:00
p5-Chemistry-File-PDB
p5-Chemistry-File-VRML Generate VRML models for molecules 2010-04-02 15:28:04 +00:00
p5-Chemistry-File-XYZ XYZ molecule format reader/writer 2010-04-02 15:28:42 +00:00
p5-Chemistry-FormulaPattern Match molecule by formula 2010-04-02 15:31:34 +00:00
p5-Chemistry-Isotope Perl module which contains the exact mass data from the table of the isotopes. 2010-04-02 15:26:37 +00:00
p5-Chemistry-MacroMol
p5-Chemistry-MidasPattern Select atoms in macromolecule 2010-04-02 15:29:58 +00:00
p5-Chemistry-Mok Perl molecular awk interpreter 2010-04-02 15:29:35 +00:00
p5-Chemistry-Mol
p5-Chemistry-Pattern Perl module which implements basic pattern matching for molecules. 2010-04-02 15:25:56 +00:00
p5-Chemistry-Reaction Explicit chemical reactions 2010-04-02 15:32:03 +00:00
p5-Chemistry-Ring Perl module which provides some basic methods for representing a ring. 2010-04-02 15:27:22 +00:00
p5-Geo-ReadGRIB - Update to 1.21 2009-11-22 03:15:14 +00:00
p5-Geo-WebService-Elevation-USGS Geo::WebService::Elevation::USGS executes elevation queries against the 2010-01-15 07:20:43 +00:00
paje
paraview - fix build for png-1.4.1 2010-03-30 04:48:54 +00:00
pcp - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
peekabot - fix build for png-1.4.1 2010-03-29 20:26:26 +00:00
pnetcdf - Update to 1.1.1 2010-02-02 22:43:01 +00:00
psi3 Build fix with gotoblas. 2010-02-16 07:23:49 +00:00
psychopy - update to 1.4.1 2010-03-28 06:47:48 +00:00
py-DendroPy - Update to 3.2.0 2010-03-30 01:24:46 +00:00
py-h5py - Add py-numpy into RUN_DEPENDS 2010-02-01 11:27:58 +00:00
py-hcluster - update to 1.4.1 2010-03-28 06:47:48 +00:00
py-mdp - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
py-mlpy - Bump PORTREVISION to chase the update of math/gsl 2010-03-29 01:12:27 +00:00
py-netCDF4 - Update to 0.9 2010-02-10 07:41:13 +00:00
py-openbabel Update to 2.2.2 2009-08-10 17:14:49 +00:00
py-paida - Get rip python 2.3+ 2009-12-13 17:00:14 +00:00
py-pydicom
py-scipy - Update to 0.7.1 2009-09-19 13:34:45 +00:00
pybrain PyBrain is a modular Machine Learning Library for Python. 2009-11-19 13:44:38 +00:00
pycdf - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
pyvox
qcl
qtresistors - update to 1.4.1 2010-03-28 06:47:48 +00:00
ruby-dcl - update to 1.4.1 2010-03-28 06:47:48 +00:00
ruby-gphys - update to 1.4.1 2010-03-28 06:47:48 +00:00
ruby-netcdf - Assign all unmaintained ruby ports to ruby@, 2009-06-16 15:53:25 +00:00
silo - update to 1.4.1 2010-03-28 06:47:48 +00:00
simlib Not for powerpc, either. 2010-04-01 10:24:44 +00:00
svmlight
szip -Repocopy devel/libtool15 -> libtool22 and libltdl15 -> libltdl22. 2009-08-02 19:36:34 +00:00
udunits - Update to 2.1.14 2010-03-08 23:14:22 +00:00
v_sim - update to 1.4.1 2010-03-28 06:47:48 +00:00
vis5d+ - update to 1.4.1 2010-03-28 06:47:48 +00:00
vmd - update to 1.4.1 2010-03-28 06:47:48 +00:00
x11iraf
xmakemol For ports maintained by ports@FreeBSD.org, remove names and/or 2009-12-21 02:19:12 +00:00
xmds - Switch SourceForge ports to the new File Release System: categories starting with P,R,S 2009-08-22 00:35:32 +00:00
Makefile Perl module which will parse a SMARTS (SMiles ARbitrary Target Specification) 2010-04-02 15:32:52 +00:00