freebsd-ports/science
Yuri Victorovich 194da51b26 science/nwchem: Update 7.0.1 -> 7.0.2
Reported by:	portscout
2020-10-15 06:41:02 +00:00
..
2d-rewriter
abinit
afni science/afni: update to 20.3.00 2020-10-04 12:07:53 +00:00
agrum
aircraft-datcom
ALPSCore
antioch
apbs
atompaw
avogadro2
avogadrolibs
axom New port: science/axom: Infrastructure for development of multi-physics applications and tools 2020-10-09 03:42:21 +00:00
bagel
bddsolve
berkeleygw
bodr
buddy
cdcl
cdf
cdk
cdo
cgnslib
cgribex
checkmol
chemical-mime-data
chemps2
chemtool science/chemtool: Fix build on 13 by adding -fcommon 2020-09-20 23:32:51 +00:00
chemtool-devel
chrono
clhep
clipper
code_saturne Update PyQt to 5.15.0, py-sip to 4.19.24 and qscintilla2 to 2.11.5 2020-10-05 15:50:03 +00:00
colt
conduit New port: science/conduit: Simplified data exchange for HPC simulations 2020-10-08 19:30:08 +00:00
coordgenlibs science/coordgenlibs: Update 1.4.1 -> 1.4.2 2020-10-14 08:11:18 +00:00
cp2k
cp2k-data
crf++ Clean up some things 2020-09-24 08:50:25 +00:00
dalton
datawarrior
dcl
devisor
dftbplus
dkh
dlib-cpp
dlpoly-classic Mark DEPRECATED: MASTERSITE is gone. As well, the pkg-descr WWW is gone. 2020-10-14 20:38:48 +00:00
drawxtl
dvc
eccodes Use local patch file instead of PATCHFILES 2020-09-19 15:35:11 +00:00
elk
elmerfem
epte
erd
ergo
erkale
erkale-pseudopotentials
fastcap
fasthenry
fastjet
fisicalab
fsom
fvcom
fvcom-mpi
gabedit science/gabedit: Update 2.5.1-061218 -> 2.5.1-300720; Fix build on 13 2020-09-20 22:12:22 +00:00
gamess-us
gchemutils
gdma
getdp
ghemical
ghmm
gnudatalanguage Unbreak bulk -a 2020-09-19 14:15:42 +00:00
gpaw-setups
gramps
grib_api
gromacs science/gromacs: Update 2020.3 -> 2020.4 2020-10-12 00:52:42 +00:00
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf
hdf5
hdf5-18
healpix
hepmc3
highfive
hypre science/hypre: Update 2.19.0 -> 2.20.0 2020-09-25 19:01:00 +00:00
iboview
InsightToolkit
isaac-cfd
jdftx
jmol science/jmol: Update 14.31.9 -> 14.31.10 2020-10-12 23:36:07 +00:00
jstrack
kalzium KDE Release Service 20.08.2 update 2020-10-10 14:17:23 +00:00
kim-api
kst2 Force to rebuild after math/matio update 2020-09-26 16:30:14 +00:00
lammps
lamprop
latte
libaec Use the release tag instead of commit hash 2020-10-10 07:44:37 +00:00
libccp4
libcint science/libcint: Update 4.0.1 -> 4.0.2 2020-10-05 16:55:08 +00:00
libctl
libefp
libgeodecomp Fix DEPENDS 2020-10-14 17:54:50 +00:00
libghemical
libgridxc science/libgridxc: Unbreak build by disabling the option that breaks 2020-10-13 05:55:28 +00:00
libint
libint2
libkml
liblinear
libmsym
liboglappth
libquantum
libssm
libsvm
libsvm-python
libvdwxc
libxc
liggghts
luscus science/luscus: Fix build on 13 2020-09-21 16:24:03 +00:00
madness
maeparser science/maeparser: Update 1.2.3 -> 1.2.4 2020-10-14 08:15:26 +00:00
massxpert
mbdyn
mcstas
mcstas-comps
mcxtrace
mcxtrace-comps
mdynamix
medit
metaphysicl
minc2
mmdb2
mmtf-cpp
mol2ps
molgif
molscript
molsketch
mpb
mpqc
msms
multiwfn
namd
nest
netcdf
netcdf-cxx
netcdf-fortran
nifticlib
nwchem science/nwchem: Update 7.0.1 -> 7.0.2 2020-10-15 06:41:02 +00:00
nwchem-data science/nwchem-data: Update 7.0.1 -> 7.0.2 2020-10-14 08:19:21 +00:00
octopus science/octopus: Update 9.2 -> 10.1 2020-10-13 05:36:02 +00:00
openbabel
openkim
openkim-models
opensim-core
opensph
opsin
p5-Algorithm-SVMLight
p5-Chemistry-3DBuilder
p5-Chemistry-Bond-Find
p5-Chemistry-Canonicalize
p5-Chemistry-Elements
p5-Chemistry-File-MDLMol
p5-Chemistry-File-Mopac
p5-Chemistry-File-PDB
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
p5-Chemistry-MidasPattern
p5-Chemistry-Mok
p5-Chemistry-Mol
p5-Chemistry-Pattern
p5-Chemistry-Reaction
p5-Chemistry-Ring
p5-Geo-BUFR
p5-Geo-Coordinates-Converter
p5-Geo-Coordinates-Converter-iArea
p5-Geo-WebService-Elevation-USGS
p5-Mcstas-Tools
p5-PerlMol
p5-Physics-Unit
packmol
pagmo2 science/pagmo2: Update 2.15.0-95 -> 2.15.0-102 2020-09-19 19:52:53 +00:00
paje
pcmsolver
PETSc
plumed
pnetcdf
pulseview
py-abipy
py-asdf
py-ase
py-avogadrolibs
py-cdo
py-chainer
py-chainer-chemistry
py-chempy
py-coards
py-DendroPy
py-dlib
py-eccodes-python
py-geolinks
py-geomet
py-geometer
py-geometric Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-gpaw
py-GPy
py-GPyOpt
py-gsd
py-h5json
py-h5py
py-kim-query
py-kinematics
py-kliff
py-liac-arff
py-lifelines Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-MDAnalysis
py-MDAnalysisTests
py-mdp
py-mmtf-python
py-molmod
py-moltemplate science/py-moltemplate: Update 2.18.6 -> 2.18.7 2020-10-12 01:07:01 +00:00
py-netCDF4
py-obspy Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-oddt
py-OpenFermion Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-openpiv science/py-openpiv: update to 0.22.3 2020-09-28 21:18:16 +00:00
py-paida
py-paramz
py-phono3py Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-phonopy science/py-phonopy: Update 2.8.0 -> 2.8.1 2020-10-12 04:37:49 +00:00
py-pupynere
py-pyaixi
py-pycsw
py-pydicom - Update to 2.0.0 2020-10-07 10:52:20 +00:00
py-PyFR
py-pygeodesy
py-pygeometa
py-pygmo2 science/py-pygmo2: Update 2.15.0-121 -> 2.15.0-139 2020-09-19 19:55:21 +00:00
py-pymatgen
py-pymol
py-pyosf
py-pysal
py-pyteomics Update to 4.3.3 2020-10-02 07:31:11 +00:00
py-qcelemental science/py-qcelemental: Update 0.16.0 -> 0.17.0 2020-10-04 19:57:16 +00:00
py-qcengine science/py-qcengine: Update 0.16.0 -> 0.17.0 2020-10-04 19:57:59 +00:00
py-qspin
py-quantities
py-rmf
py-rmsd
py-ruffus
py-scikit-fuzzy Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-scikit-learn
py-scikit-optimize
py-scikit-sparse
py-scimath - Update to 4.2.0 2020-09-25 03:11:49 +00:00
py-scipy
py-scoria
py-SimpleSpectral
py-spglib
py-tensorflow
py-veusz Update PyQt to 5.15.0, py-sip to 4.19.24 and qscintilla2 to 2.11.5 2020-10-05 15:50:03 +00:00
pybrain
pynn
qbox science/qbox: Update 1.71.5 -> 1.72.0 2020-09-25 19:01:45 +00:00
qcl
qiskit-aer
qmcpack
quantum-espresso
quantum-espresso-pseudopotentials
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-FAdist
R-cran-fastICA
R-cran-kernlab
R-cran-snow
R-cran-som
R-cran-udunits2
rdkit
rmf
rubygem-ai4r
rubygem-cdo
rubygem-rgeo
rubygem-rgeo-geojson
rubygem-rgeo-proj4 Update to 2.0.1 2020-10-10 18:00:24 +00:00
rubygem-rgeo-shapefile
rubygem-ruby-dcl
rubygem-ruby-netcdf
scidavis
siesta
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo science/silo: Backport of patches from Debian to support Python 3 2020-09-27 11:32:55 +00:00
simbody
simgrid
simint
simlib
simsmith
smoldyn
sparta
spglib
step KDE Release Service 20.08.2 update 2020-10-10 14:17:23 +00:00
svmlight
szip
teem
tfel
tinker
udunits
v_sim
vipster
vmd
voro++
votca
wannier90
wwplot
wxmacmolplt
xcrysden science/xcrysden: Fix build on 13 by adding -fcommon 2020-09-21 00:45:07 +00:00
xdrawchem
xfce4-equake-plugin
xtb science/xtb: update to 6.3.3 2020-09-20 21:19:02 +00:00
yoda
Makefile New port: science/axom: Infrastructure for development of multi-physics applications and tools 2020-10-09 03:42:21 +00:00