Yuri Victorovich bbee7e1392 science/nest: Update 2.20.1 -> 3.1		2021-10-20 23:23:16 -07:00
..
2d-rewriter
abinit
afni
agrum
aircraft-datcom
ALPSCore
antioch
apbs
ascent
atompaw
avogadro2
avogadrolibs
axom
bagel
bddsolve
berkeleygw
bodr
buddy
cantera
cdcl
cdf
cdk
cdo
cgnslib
cgribex
checkmol
chemical-mime-data
chemps2
chemtool
chemtool-devel
chrono
clhep
clipper
code_saturne	science/code_saturne: upgrade to 7.0.2	2021-10-18 22:17:32 +02:00
colt
conduit
coordgenlibs
cp2k
cp2k-data
crf++
csvtk
dakota
dalton
dcl
devisor
dftbplus
dkh
dlib-cpp
drawxtl
dvc
dynare
eccodes
elk
elmerfem
epte
erd
ergo
erkale
erkale-pseudopotentials
fastcap
fasthenry
fastjet
fisicalab
frontistr
fsom
fvcom
fvcom-mpi
gabedit
gamess-us
gchemutils
gdma
getdp
ghemical
ghmm
gnudatalanguage	science/gnudatalanguage: upgrade to v1.0.1	2021-10-20 20:19:14 +02:00
gpaw-setups
gramps
grib_api
gromacs
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf
hdf5
hdf5-18
healpix
helfem
hepmc3
highfive
hypre
iboview
InsightToolkit
isaac-cfd
jdftx
jmol
jstrack
kalzium
kim-api
kst2
lammps
lamprop
latte
libaec
libccp4
libcint	science/libcint: Update 4.4.4 -> 4.4.6	2021-10-16 15:21:14 -07:00
libctl
libecpint
libefp
libgeodecomp
libghemical
libgridxc
libint
libint2
libkml
liblinear
libmsym
liboglappth
libquantum
libssm
libsvm
libsvm-python
libvdwxc
libxc
liggghts
luscus
madness
maeparser
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	science/nest: Update 2.20.1 -> 3.1	2021-10-20 23:23:16 -07:00
netcdf
netcdf-cxx
netcdf-fortran
nifticlib
nwchem	science/nwchem: Add the PYTHON option enabling python syntax in .nw files	2021-10-19 17:24:53 -07:00
nwchem-data
octopus
openbabel
openems
openkim
openkim-models
openmc
openmx
opensim-core
opensph
opsin
orthanc	cience/orthanci: Update to 1.9.7	2021-10-17 15:18:34 +08:00
orthanc-dicomweb
orthanc-mysql
orthanc-postgresql
orthanc-webviewer
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
paje
pcmsolver
PETSc
phonopy
plumed
pnetcdf
pulseview
py-abipy
py-access
py-asdf
py-ase
py-avogadrolibs
py-cdo
py-chainer
py-chainer-chemistry
py-chempy
py-cirq-aqt
py-cirq-core
py-cirq-google	science/py-cirq-google: Update 0.12.0 -> 0.13.0	2021-10-17 08:49:41 -07:00
py-cirq-ionq
py-cirq-pasqal
py-coards
py-DendroPy
py-dipy
py-dlib
py-eccodes
py-esda
py-geolinks
py-geomet
py-geometer
py-geometric
py-gpaw
py-GPy
py-GPyOpt
py-gsd
py-h5json
py-h5py
py-hiphive
py-inequality
py-jupyter_jsmol
py-kim-query
py-kinematics
py-kliff
py-liac-arff
py-libpysal
py-lifelines
py-MDAnalysis
py-MDAnalysisTests
py-mdp
py-mmtf-python
py-molmod
py-moltemplate
py-netCDF4
py-netcdf-flattener
py-nibabel
py-nilearn
py-obspy
py-oddt
py-OpenFermion
py-OpenMC
py-openpiv
py-paida
py-paramz
py-phono3py
py-phonopy
py-PubChemPy
py-pupynere
py-pyaixi
py-pyberny	science/py-pyberny: New port: Optimizer of molecular geometries with respect to the total energy	2021-10-16 16:56:19 -07:00
py-pycsw
py-pydicom
py-PyFR
py-pygeodesy
py-pygeometa
py-pygmo2
py-pyked
py-pymatgen	science/py-pymatgen: Update 2022.0.12 -> 2022.0.14	2021-10-16 16:56:17 -07:00
py-pymol
py-PyNE
py-pyosf
py-pysal
py-pyscf
py-pyteomics
py-qcelemental	science/py-qcelemental: Update 0.22.0 -> 0.23.0; Add test target	2021-10-16 16:56:18 -07:00
py-qcengine	science/py-qcengine: Update 0.19.0 -> 0.20.1; Add test target	2021-10-16 16:56:19 -07:00
py-qspin
py-quantities
py-rmf	*: apply refactor.remove-consecutive-empty-lines	2021-10-19 10:36:47 +02:00
py-rmsd
py-ruffus
py-scikit-fuzzy
py-scikit-learn
py-scikit-optimize
py-scikit-sparse
py-scimath
py-scipy
py-scoria
py-segregation
py-segyio
py-SimpleSpectral
py-skrebate
py-spaghetti
py-spglib
py-tensorflow
py-tobler
py-veusz
pybrain
pynn
qbox
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
rubygem-rgeo-shapefile
rubygem-ruby-dcl
rubygem-ruby-netcdf
scidavis
segyio
shelxle	science/shelxle: Update 1.0.1330 -> 1.0.1332	2021-10-20 17:46:02 -07:00
siconos
siesta
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo
simbody
simgrid
simint
simlib
simsmith
smoldyn
sparta	science/sparta: Update 26Feb2021 -> 20Oct2021	2021-10-20 23:23:15 -07:00
spglib
step
svmlight
szip
teem
tfel
tfel-edf
thermofun
tinker
udunits
v_sim
vipster
vmd
voro++
votca
wannier90
wwplot
wxmacmolplt
xcfun
xcrysden
xdrawchem
xtb
yoda
Makefile	science/py-pyberny: New port: Optimizer of molecular geometries with respect to the total energy	2021-10-16 16:56:19 -07:00