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mirror of https://git.FreeBSD.org/ports.git synced 2024-12-23 04:23:08 +00:00
freebsd-ports/science
Yuri Victorovich fccee7d7fd science/chemps2: Update 1.8.8 -> 1.8.9
Reported by:	portscout
2018-10-30 06:00:05 +00:00
..
2d-rewriter
abinit
afni
aircraft-datcom
ALPSCore
antioch
atom science/libxc: Update 3.0.0 -> 4.2.3 2018-10-20 23:29:28 +00:00
atompaw
avogadro science/avogadro: Add CONFLICTS statement 2018-10-24 06:03:32 +00:00
avogadro2 science/avogadrolibs: Update 1.91.0 -> 1.91.0-107 2018-10-18 22:31:26 +00:00
avogadrolibs science/avogadrolibs: Update 1.91.0 -> 1.91.0-107 2018-10-18 22:31:26 +00:00
bagel science/bagel: Update 1.1.2-21 -> 1.2.0 2018-10-28 16:02:08 +00:00
bddsolve
bft
bodr
brian
buddy
cdcl
cdf
cdo
cgnslib science/cgnslib: Update to 3.3.1 and modernize 2018-10-18 00:27:01 +00:00
cgribex
checkmol
chemical-mime-data
chemps2 science/chemps2: Update 1.8.8 -> 1.8.9 2018-10-30 06:00:05 +00:00
chemtool science/chemtool: fix build with GCC-based architectures 2018-10-20 16:21:13 +00:00
chemtool-devel
chrono
clhep
clipper
colt
coordgenlibs New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generation 2018-10-25 07:36:58 +00:00
coot
cp2k
crf++
dalton
datawarrior
dcl
devisor
dft_tools
dftbplus science/dftbplus science/mbdyn science/octopus: Change from math/arpack to math/arpack-ng 2018-10-04 21:10:42 +00:00
dkh
dlib-cpp
dlpoly-classic
eccodes
ecs
elk
epte
erd
erkale New port: science/erkale: Quantum chemistry program to solve the electronic structure of atoms 2018-10-21 17:56:11 +00:00
fastcap
fasthenry
fisicalab
fleur
fsom
fvcom
fvcom-mpi
fvm
gabedit
gamess-us science/gamess-us: Cosmetic change: internal version number change to 00 for convenence because it is a default 2018-10-15 06:12:03 +00:00
gchemutils
gdma
getdp - Update to 3.0.3. 2018-10-24 14:36:09 +00:00
ghemical
ghmm
gnudatalanguage science/gnudatalanguage: Change from net/mpich2 to net/mpich 2018-10-02 21:54:14 +00:00
gpaw-setups New port: science/gpaw-setups: Setups (data files) for py-gpaw, the DFT quantum chemistry software 2018-10-30 04:36:22 +00:00
gramps
grib_api
gromacs
gsmc
gtamsanalyzer
gwyddion
h5utils
harminv
hdf
hdf5
hdf5-18
hypre science/hypre: Update 2.15.0 -> 2.15.1 2018-10-20 15:47:07 +00:00
iboview
InsightToolkit Fix typo in previous commit. 2018-10-29 09:40:56 +00:00
isaac-cfd
jdftx science/libxc: Update 3.0.0 -> 4.2.3 2018-10-20 23:29:28 +00:00
jstrack
kalzium Update KDE Applications to 18.08.2 2018-10-11 20:23:50 +00:00
kalzium-kde4 science/kalzium-kde4: Fix build 2018-10-28 02:37:33 +00:00
kst2
lammps
lamprop
libaec
libccp4
libcint
libctl
libefp
libgeodecomp
libghemical
libgridxc science/libxc: Update 3.0.0 -> 4.2.3 2018-10-20 23:29:28 +00:00
libint
libint2
libkml
liblinear
libmsym New port: science/libmsym: Molecular point group symmetry library 2018-10-16 22:58:17 +00:00
liboglappth
libquantum
libssm
libsvm - Update pkg-descr 2018-10-13 14:26:24 +00:00
libsvm-python
libxc science/libxc: Update 3.0.0 -> 4.2.3 2018-10-20 23:29:28 +00:00
linsmith Deprecate some GNOME 2 applications 2018-10-07 20:25:16 +00:00
lm
luscus Sscience/luscus: Update 0.8.5 -> 0.8.6 2018-10-18 07:30:25 +00:00
madness science/libxc: Update 3.0.0 -> 4.2.3 2018-10-20 23:29:28 +00:00
maeparser New port: science/maeparser: Parser for Schrodinger Maestro files 2018-10-25 07:24:36 +00:00
massxpert
mbdyn science/dftbplus science/mbdyn science/octopus: Change from math/arpack to math/arpack-ng 2018-10-04 21:10:42 +00:00
mcstas
mcstas-comps
mcxtrace
mcxtrace-comps
mdynamix
medit
meep
mei
metaf2xml
metaphysicl science/metaphysicl: Update 0.3.0.1 -> 0.3.1 2018-10-18 21:28:46 +00:00
minc2
mmdb2
mmtf New port: science/mmtf: C++ implementation of the MMTF API, decoder and encoder 2018-10-18 21:21:17 +00:00
mol2ps
molgif New port: science/molgif: Tool to create GIF animations of molecules 2018-10-07 21:54:19 +00:00
molsketch New port: science/molsketch: 2D molecule editor 2018-10-24 05:36:11 +00:00
MOOSE-neural-simulator
mpb
mpqc
msms
multiwfn
namd
ncs Mark BROKEN: conflicting dependencies 2018-10-06 21:10:46 +00:00
netcdf
netcdf-cxx
netcdf-fortran
nifticlib
nwchem science/nwchem: Update 6.8.1-release-94 -> 6.8.1-release-144 2018-10-09 01:28:07 +00:00
octopus science/libxc: Update 3.0.0 -> 4.2.3 2018-10-20 23:29:28 +00:00
openbabel
openkim
openmx
openstructure
p5-Algorithm-SVMLight
p5-Chemistry-3DBuilder
p5-Chemistry-Bond-Find - Add LICENSE 2018-10-09 09:08:39 +00:00
p5-Chemistry-Canonicalize - Add LICENSE 2018-10-05 09:08:36 +00:00
p5-Chemistry-Elements
p5-Chemistry-File-MDLMol
p5-Chemistry-File-Mopac
p5-Chemistry-File-PDB Fix every instance of RUN_DEPENDS:=${BUILD_DEPENDS} in p5 ports, except 2018-10-06 13:06:42 +00:00
p5-Chemistry-File-SLN
p5-Chemistry-File-SMARTS
p5-Chemistry-File-SMILES
p5-Chemistry-File-VRML
p5-Chemistry-File-XYZ
p5-Chemistry-FormulaPattern
p5-Chemistry-InternalCoords
p5-Chemistry-Isotope
p5-Chemistry-MacroMol Fix every instance of RUN_DEPENDS:=${BUILD_DEPENDS} in p5 ports, except 2018-10-06 13:06:42 +00:00
p5-Chemistry-MidasPattern
p5-Chemistry-Mok
p5-Chemistry-Mol Fix every instance of RUN_DEPENDS:=${BUILD_DEPENDS} in p5 ports, except 2018-10-06 13:06:42 +00:00
p5-Chemistry-Pattern
p5-Chemistry-Reaction
p5-Chemistry-Ring
p5-Geo-BUFR
p5-Geo-Coordinates-Converter Fix every instance of RUN_DEPENDS:=${BUILD_DEPENDS} in p5 ports, except 2018-10-06 13:06:42 +00:00
p5-Geo-Coordinates-Converter-iArea Fix every instance of RUN_DEPENDS:=${BUILD_DEPENDS} in p5 ports, except 2018-10-06 13:06:42 +00:00
p5-Geo-ReadGRIB
p5-Geo-WebService-Elevation-USGS - Update to 0.110 2018-10-10 01:38:11 +00:00
p5-Mcstas-Tools
p5-PerlMol
p5-Physics-Unit
paje
paraview
pcmsolver
PETSc science/PETSc: Update 3.10.1 -> 3.10.2 2018-10-20 16:08:58 +00:00
pnetcdf
psychopy
pulseview
py-abipy
py-ase
py-avogadrolibs New port: science/py-avogadrolibs: Python bindings for Avogadro2 chemistry libraries 2018-10-21 17:52:35 +00:00
py-cdo
py-chempy science/py-chempy: Update 0.7.5 -> 0.7.6 2018-10-29 04:31:09 +00:00
py-coards
py-DendroPy Fix packaging with python 3.x 2018-10-12 14:58:58 +00:00
py-dlib
py-gpaw science/py-gpaw: Add pkg-message; Add LICENSE_FILE; Change /usr/local to LOCALBASE 2018-10-30 04:38:26 +00:00
py-gsd science/py-gsd: Update 1.5.3 -> 1.5.4 2018-10-06 04:09:31 +00:00
py-h5py
py-hcluster
py-kinematics
py-MDAnalysis science/py-MDAnalysis: Update 0.18.0 -> 0.19.0 2018-10-12 01:15:42 +00:00
py-MDAnalysisTests science/py-MDAnalysisTests: Update 0.18.0 -> 0.19.0 2018-10-12 01:16:48 +00:00
py-mdp
py-mlpy
py-mmtf-python
py-molmod
py-netCDF4
py-obspy
py-OpenFermion
py-openpiv
py-paida
py-phono3py
py-phonopy science/py-phonopy: Fix tests 2018-10-17 07:04:50 +00:00
py-pupynere
py-pyaixi
py-pydicom - Update to 1.2.0 2018-10-08 12:03:51 +00:00
py-PyFR science/py-PyFR: Update 1.7.6 -> 1.8.0 2018-10-17 07:27:27 +00:00
py-pymatgen
py-pymol
py-pyosf
py-PyQuante
py-pysal
py-pyteomics
py-pyteomics.biolccc
py-qspin
py-quantities
py-rmf
py-ScientificPython
py-scikit-fuzzy science/py-scikit-fuzzy: Update 0.3.1 -> 0.4.0 2018-10-19 04:43:52 +00:00
py-scikit-learn
py-scikit-sparse
py-scimath
py-scipy Update MASTER_SITES 2018-10-06 09:27:12 +00:00
py-scoria
py-SimpleSpectral
py-spglib
py-veusz
py-ws2300
pybrain
pycdf
pynn
qbox
qcl
qmcpack
qtresistors
quantum-espresso
qwalk
R-cran-AMORE
R-cran-bayesm
R-cran-cmprsk
R-cran-DCluster
R-cran-e1071
R-cran-eco
R-cran-Epi
R-cran-epicalc
R-cran-etm
R-cran-fastICA
R-cran-kernlab
R-cran-snow
R-cran-som
R-cran-udunits2
rdkit science/rdkit: Update 2018_03_4 -> 2018_09_1 2018-10-25 07:00:51 +00:00
rmf
rubygem-ai4r
rubygem-cdo
rubygem-rgeo Update to 1.1.2 2018-10-11 23:45:49 +00:00
rubygem-rgeo-geojson
rubygem-rgeo-proj4
rubygem-rgeo-shapefile
rubygem-ruby-dcl
rubygem-ruby-netcdf
siesta
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo
simint science/simint: Update 0.7 -> 0.8 2018-10-11 03:21:01 +00:00
simlib science/simlib: Update 3.02 -> 3.06 2018-10-19 05:38:42 +00:00
simsmith
spglib
step Fix build with GCC-based architectures for various kde@ ports. 2018-10-27 11:50:58 +00:00
step-kde4
svmlight
szip
teem
tfel
tinker biology/tinker: Update 7.1.3 -> 8.4.4; Move to science/ 2018-10-07 00:19:22 +00:00
triqs
udunits
v_sim
vmd
voro++
wannier90
wxmacmolplt New port: science/wxmacmolplt: Graphical user interface principally for the GAMESS program 2018-10-14 23:15:09 +00:00
xcrysden
xdrawchem
xfce4-equake-plugin
xmakemol
Makefile New port: science/gpaw-setups: Setups (data files) for py-gpaw, the DFT quantum chemistry software 2018-10-30 04:36:22 +00:00