.. |
2d-rewriter
|
|
|
abinit
|
|
|
afni
|
science/afni: update to 21.2.01
|
2021-07-20 19:35:08 +02:00 |
agrum
|
science/agrum: Update 0.21.0 -> 0.22.0
|
2021-08-07 13:05:21 -07:00 |
aircraft-datcom
|
|
|
ALPSCore
|
|
|
antioch
|
|
|
apbs
|
|
|
atompaw
|
|
|
avogadro2
|
|
|
avogadrolibs
|
science/[,py-]spglib: Update 1.16.1 -> 1.16.2
|
2021-08-15 18:32:15 -07:00 |
axom
|
|
|
bagel
|
|
|
bddsolve
|
|
|
berkeleygw
|
|
|
bodr
|
|
|
buddy
|
|
|
cdcl
|
|
|
cdf
|
|
|
cdk
|
|
|
cdo
|
|
|
cgnslib
|
|
|
cgribex
|
|
|
checkmol
|
games/hedgewars: lang/nbc: science/checkmol: science/mol2ps: bump PORTREVISION
|
2021-07-31 21:03:46 -05:00 |
chemical-mime-data
|
|
|
chemps2
|
|
|
chemtool
|
|
|
chemtool-devel
|
|
|
chrono
|
|
|
clhep
|
|
|
clipper
|
|
|
code_saturne
|
|
|
colt
|
|
|
conduit
|
|
|
coordgenlibs
|
|
|
cp2k
|
|
|
cp2k-data
|
|
|
crf++
|
|
|
csvtk
|
|
|
dakota
|
|
|
dalton
|
|
|
dcl
|
|
|
devisor
|
|
|
dftbplus
|
|
|
dkh
|
|
|
dlib-cpp
|
|
|
drawxtl
|
|
|
dvc
|
|
|
dynare
|
science/dynare: Add comment
|
2021-08-15 12:42:02 -07:00 |
eccodes
|
science/eccodes: Update to 2.22.1
|
2021-07-25 04:20:58 +08:00 |
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 v1.0.0 final
|
2021-08-14 10:54:15 +02:00 |
gpaw-setups
|
|
|
gramps
|
science/gramps: update to 5.1.4
|
2021-07-28 11:48:02 +02:00 |
grib_api
|
|
|
gromacs
|
|
|
gsmc
|
|
|
gtamsanalyzer
|
|
|
h5utils
|
|
|
h5z-zfp
|
|
|
harminv
|
|
|
hdf
|
|
|
hdf5
|
|
|
hdf5-18
|
|
|
healpix
|
|
|
hepmc3
|
science/hepmc3: Update 3.2.3 -> 3.2.4
|
2021-07-09 10:01:32 -07:00 |
highfive
|
science/highfive: Update 2.3 -> 2.3.1
|
2021-08-05 13:10:25 -07:00 |
hypre
|
|
|
iboview
|
|
|
InsightToolkit
|
|
|
isaac-cfd
|
|
|
jdftx
|
|
|
jmol
|
science/jmol: Update 14.31.49 -> 14.31.51
|
2021-08-12 01:57:37 -07:00 |
jstrack
|
|
|
kalzium
|
KDE: Update KDE Gear to 21.08.0
|
2021-08-13 09:15:29 +02:00 |
kim-api
|
|
|
kst2
|
|
|
lammps
|
|
|
lamprop
|
|
|
latte
|
|
|
libaec
|
|
|
libccp4
|
|
|
libcint
|
science/libcint: Update 4.4.3 -> 4.4.4
|
2021-08-15 13:33:33 -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
|
games/hedgewars: lang/nbc: science/checkmol: science/mol2ps: bump PORTREVISION
|
2021-07-31 21:03:46 -05:00 |
molgif
|
|
|
molscript
|
|
|
molsketch
|
|
|
mpb
|
|
|
mpqc
|
|
|
msms
|
|
|
multiwfn
|
|
|
namd
|
|
|
nest
|
|
|
netcdf
|
|
|
netcdf-cxx
|
|
|
netcdf-fortran
|
|
|
nifticlib
|
|
|
nwchem
|
|
|
nwchem-data
|
|
|
octopus
|
science/[,py-]spglib: Update 1.16.1 -> 1.16.2
|
2021-08-15 18:32:15 -07:00 |
openbabel
|
|
|
openkim
|
|
|
openkim-models
|
|
|
openmx
|
science/openmx: Re-add port: Nanoscale material simulations using density functional theories (DFT)
|
2021-08-15 00:33:07 -07:00 |
opensim-core
|
|
|
opensph
|
science/opensph: Update 0.3.6 -> 0.3.7
|
2021-08-16 00:06:30 -07:00 |
opsin
|
|
|
orthanc
|
|
|
orthanc-dicomweb
|
science/orthanc-dicomweb: Revive port
|
2021-08-09 04:26:41 -04:00 |
orthanc-mysql
|
science/orthanc-mysql: New port
|
2021-08-07 17:26:56 -04:00 |
orthanc-postgresql
|
science/orthanc-postgresql: Revive port
|
2021-08-07 17:40:42 -04:00 |
orthanc-webviewer
|
science/orthanc-webviewer: Update COMMENT
|
2021-08-07 19:32:55 -04:00 |
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
|
science/p5-Chemistry-Mol: Sort PLIST
|
2021-07-15 00:10:34 +08:00 |
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: Switch to devel/onetbb
|
2021-08-15 00:33:08 -07:00 |
paje
|
|
|
pcmsolver
|
|
|
PETSc
|
|
|
phonopy
|
science/phonopy: New port: Package for phonon calculations at harmonic and quasi-harmonic levels
|
2021-08-05 09:51:48 -07:00 |
plumed
|
science/plumed: Update 2.7.1 -> 2.7.2
|
2021-07-28 10:13:47 -07:00 |
pnetcdf
|
|
|
pulseview
|
science/pulseview: prepare for glib-2.68.3
|
2021-07-24 10:16:42 +02:00 |
py-abipy
|
|
|
py-access
|
|
|
py-asdf
|
|
|
py-ase
|
|
|
py-avogadrolibs
|
|
|
py-cdo
|
science/py-cdo: Update to 1.5.5
|
2021-07-25 04:21:58 +08:00 |
py-chainer
|
devel/protobuf: Update to 3.17.3
|
2021-07-22 02:11:52 +08:00 |
py-chainer-chemistry
|
|
|
py-chempy
|
|
|
py-cirq-aqt
|
science/py-cirq-*: Update to 0.12.0
|
2021-08-12 01:57:37 -07:00 |
py-cirq-core
|
science/py-cirq-*: Update to 0.12.0
|
2021-08-12 01:57:37 -07:00 |
py-cirq-google
|
science/py-cirq-*: Update to 0.12.0
|
2021-08-12 01:57:37 -07:00 |
py-cirq-ionq
|
science/py-cirq-*: Update to 0.12.0
|
2021-08-12 01:57:37 -07:00 |
py-cirq-pasqal
|
science/py-cirq-*: Update to 0.12.0
|
2021-08-12 01:57:37 -07:00 |
py-coards
|
|
|
py-DendroPy
|
|
|
py-dipy
|
|
|
py-dlib
|
|
|
py-eccodes
|
|
|
py-esda
|
science/py-esda: Update to 2.4.1
|
2021-08-08 22:54:11 +08:00 |
py-geolinks
|
|
|
py-geomet
|
|
|
py-geometer
|
|
|
py-geometric
|
|
|
py-gpaw
|
science/py-gpaw: Update 21.1.0 -> 21.6.0
|
2021-08-08 18:57:37 -07:00 |
py-GPy
|
|
|
py-GPyOpt
|
|
|
py-gsd
|
|
|
py-h5json
|
|
|
py-h5py
|
|
|
py-hiphive
|
science/py-hiphive: New port: High-order force constants for the masses
|
2021-08-05 09:51:46 -07:00 |
py-inequality
|
|
|
py-jupyter_jsmol
|
|
|
py-kim-query
|
|
|
py-kinematics
|
|
|
py-kliff
|
science/py-kliff: Update 0.2.2 -> 0.3.0
|
2021-08-04 15:43:00 -07:00 |
py-liac-arff
|
|
|
py-libpysal
|
|
|
py-lifelines
|
|
|
py-MDAnalysis
|
|
|
py-MDAnalysisTests
|
|
|
py-mdp
|
|
|
py-mmtf-python
|
|
|
py-molmod
|
|
|
py-moltemplate
|
science/py-moltemplate: Update 2.19.11 -> 2.19.12
|
2021-08-05 15:16:23 -07:00 |
py-netCDF4
|
|
|
py-netcdf-flattener
|
|
|
py-nibabel
|
|
|
py-nilearn
|
|
|
py-obspy
|
|
|
py-oddt
|
|
|
py-OpenFermion
|
science/py-OpenFermion: Update 0.11.0 -> 1.1.0
|
2021-07-27 06:16:51 -07:00 |
py-openpiv
|
|
|
py-paida
|
|
|
py-paramz
|
|
|
py-phono3py
|
|
|
py-phonopy
|
science/py-phonopy: Update 2.10.0 -> 2.11.0
|
2021-08-05 09:51:47 -07:00 |
py-PubChemPy
|
science/py-PubChemPy: New port: Simple Python wrapper around the PubChem PUG REST API
|
2021-07-27 06:16:51 -07:00 |
py-pupynere
|
|
|
py-pyaixi
|
|
|
py-pycsw
|
|
|
py-pydicom
|
science/py-pydicom: Update to 2.2.0
|
2021-08-06 11:45:21 +08:00 |
py-PyFR
|
science/py-PyFR: Update 1.12.1 -> 1.12.2
|
2021-07-27 12:19:04 -07:00 |
py-pygeodesy
|
|
|
py-pygeometa
|
|
|
py-pygmo2
|
science/py-pygmo2: Update 2.16.1 -> 2.18.0
|
2021-08-05 09:51:47 -07:00 |
py-pymatgen
|
science/py-pymatgen: Update 2022.0.10 -> 2022.0.11
|
2021-08-05 09:51:46 -07:00 |
py-pymol
|
|
|
py-pyosf
|
|
|
py-pysal
|
science/py-pysal: Update to 2.4.0
|
2021-08-08 22:54:11 +08:00 |
py-pyscf
|
|
|
py-pyteomics
|
|
|
py-qcelemental
|
science/py-qcelemental: Update 0.20.0 -> 0.21.0
|
2021-08-05 09:51:45 -07:00 |
py-qcengine
|
|
|
py-qspin
|
|
|
py-quantities
|
|
|
py-rmf
|
|
|
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
|
science/py-segyio: Fix tests
|
2021-08-16 00:06:30 -07:00 |
py-SimpleSpectral
|
|
|
py-skrebate
|
|
|
py-spaghetti
|
science/py-spaghetti: Update to 1.6.2
|
2021-07-06 22:57:12 +08:00 |
py-spglib
|
science/[,py-]spglib: Update 1.16.1 -> 1.16.2
|
2021-08-15 18:32:15 -07:00 |
py-tensorflow
|
science/py-tensorflow: Fix build with protobuf 3.17.3
|
2021-07-22 02:12:13 +08:00 |
py-tobler
|
science/py-tobler: Update to 0.8.2
|
2021-07-06 22:57:14 +08:00 |
py-veusz
|
|
|
pybrain
|
|
|
pynn
|
|
|
qbox
|
|
|
qcl
|
|
|
qiskit-aer
|
devel/libfmt: Update to 8.0.0
|
2021-07-22 02:11:51 +08:00 |
qmcpack
|
|
|
quantum-espresso
|
|
|
quantum-espresso-pseudopotentials
|
|
|
qwalk
|
|
|
R-cran-AMORE
|
|
|
R-cran-bayesm
|
|
|
R-cran-cmprsk
|
|
|
R-cran-DCluster
|
|
|
R-cran-e1071
|
science/R-cran-e1071: Update to 1.7-8
|
2021-07-30 21:13:47 +09:00 |
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
|
science/rdkit: Update 2021.03.3 -> 2021.03.4
|
2021-07-11 19:10:30 -07:00 |
rmf
|
|
|
rubygem-ai4r
|
|
|
rubygem-cdo
|
|
|
rubygem-rgeo
|
|
|
rubygem-rgeo-geojson
|
|
|
rubygem-rgeo-proj4
|
|
|
rubygem-rgeo-shapefile
|
|
|
rubygem-ruby-dcl
|
|
|
rubygem-ruby-netcdf
|
|
|
scidavis
|
|
|
segyio
|
science/segyio: Update 1.9.6 -> 1.9.7
|
2021-08-15 13:34:50 -07:00 |
shelxle
|
science/shelxle: Update 1.0.1296 -> 1.0.1298
|
2021-08-11 01:43:43 -07:00 |
siconos
|
science/siconos: Broken on i386
|
2021-08-15 13:05:13 -07:00 |
siesta
|
|
|
sigrok-cli
|
|
|
sigrok-firmware
|
|
|
sigrok-firmware-fx2lafw
|
|
|
sigrok-firmware-utils
|
|
|
silo
|
|
|
simbody
|
|
|
simgrid
|
science/simgrid: Update 3.27 -> 3.28
|
2021-08-16 00:06:31 -07:00 |
simint
|
|
|
simlib
|
|
|
simsmith
|
|
|
smoldyn
|
|
|
sparta
|
|
|
spglib
|
science/[,py-]spglib: Update 1.16.1 -> 1.16.2
|
2021-08-15 18:32:15 -07:00 |
step
|
KDE: Update KDE Gear to 21.08.0
|
2021-08-13 09:15:29 +02:00 |
svmlight
|
|
|
szip
|
|
|
teem
|
|
|
tfel
|
|
|
tfel-edf
|
|
|
thermofun
|
|
|
tinker
|
science/tinker: Update 8.9.2 -> 8.9.3
|
2021-08-15 12:33:59 -07:00 |
udunits
|
|
|
v_sim
|
|
|
vipster
|
|
|
vmd
|
|
|
voro++
|
|
|
votca
|
science/votca: Update 2021 -> 2021.1
|
2021-07-18 17:49:20 -07:00 |
wannier90
|
|
|
wwplot
|
|
|
wxmacmolplt
|
|
|
xcfun
|
|
|
xcrysden
|
|
|
xdrawchem
|
|
|
xtb
|
|
|
yoda
|
|
|
Makefile
|
science/openmx: Re-add port: Nanoscale material simulations using density functional theories (DFT)
|
2021-08-15 00:33:07 -07:00 |