Yuri Victorovich 1904c77c57 science/py-kimpy: Update 2.0.1 -> 2.1.0 ... Reported by: portscout		2022-12-09 00:47:31 -08:00
..
2d-rewriter
abinit	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
afni	science/afni: update to 22.3.06	2022-12-05 22:17:07 +01:00
agrum	science/agrum: Update 1.2.0 -> 1.3.1	2022-10-05 22:56:54 -07:00
aircraft-datcom
ALPSCore
antioch
apbs
arbor	science/arbor: Add NATIVE option to disable native optimization by default	2022-12-03 18:05:40 -08:00
ascent
atompaw	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
avogadro2	science/avogadro2: Update WWW	2022-11-19 16:10:48 -08:00
avogadrolibs	math/vtk9: Update 9.1.0 -> 9.2.2	2022-10-24 01:14:57 -07:00
axom
bagel	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
bddsolve
berkeleygw
bodr
buddy
cantera
cardioid
cdcl
cdf
cdk
cdo	graphics/proj: Update to 9.1.0	2022-11-17 09:20:57 +01:00
cgnslib
cgribex
checkmol
chemical-mime-data
chemicalfun
chemps2
chemtool
chemtool-devel
chimes-calculator
ChipmunkPhysics
chrono
cif-tools	science/cif-tools: Update 1.0.3 -> 1.0.7	2022-11-24 03:09:16 -08:00
clhep
clipper
code_saturne	science/hypre: Update 2.25.0 -> 2.26.0	2022-10-16 12:37:32 -07:00
colt
conduit
coordgenlibs
cp2k	science/cp2k: Update 2022.1 -> 2022.2	2022-10-05 10:24:52 -07:00
cp2k-data	science/cp2k-data: Update 2022.1 -> 2022.2	2022-10-05 15:33:11 -07:00
crf++
csvtk	all: Bump PORTREVISION after lang/go{118,119} update	2022-10-06 14:24:26 -05:00
dakota	devel/icu: update to 72.1	2022-10-19 08:10:29 +00:00
dalton
dcl
dd_package	science/dd_package: New port: MQT decision diagram package tailored to quantum computing	2022-11-02 09:22:56 -07:00
devisor
dftbplus
dftd3	science/dftd3: New port: S. Grimme's dispersion correction for DFT, Hartree-Fock methods	2022-12-08 03:11:24 -08:00
dftd4
dimod	science/dimod: Update 0.11.6 -> 0.12.2	2022-11-14 21:46:07 -08:00
dirac	science/dirac: Broken on armv7	2022-11-27 02:17:18 -08:00
dkh
dlib-cpp
drawxtl
dssp	science/dssp: Update 4.0.5 -> 4.2.0	2022-11-24 03:09:17 -08:00
dvc
dwave-preprocessing
dynare	*/*: bump PORTREVISION after the upgrade of math/suitesparse*	2022-11-27 12:09:57 +01:00
eccodes
elk
elmerfem	cad/opencascade: bump PORTREVISION of consumers after upgrade to 7.7.0	2022-11-12 14:32:00 +01:00
epte
erd
ergo
erkale	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
erkale-pseudopotentials
fastcap
fasthenry
fastjet
feff10	science/feff10: New port: Ab initio scattering calculations of X-ray absorption fine structure	2022-10-30 10:13:51 -07:00
fisicalab
fleur	*/*: Change DISTVERSION to have a hyphen when it refers to a specific revision	2022-12-01 10:42:20 -08:00
frontistr
fsom
fvcom
fvcom-mpi
gabedit
gamess-us
gbtolib
gchemutils
gdma
gemmi	science/gemmi: Fix tests	2022-10-04 00:30:31 -07:00
getdp
ghemical	science/ghemical: Correct dependency	2022-11-19 03:57:10 -08:00
ghmm
gnudatalanguage	graphics/proj: Update to 9.1.0	2022-11-17 09:20:57 +01:00
gpaw-setups
gramps
grib_api
gromacs
gsmc
gtamsanalyzer
h5utils	*/*: Reset Maintainership	2022-11-22 07:48:02 +01:00
h5z-zfp
harminv
hdf
hdf5	science/hdf5: Enable the FORTRAN option by default	2022-11-03 01:03:49 -07:00
hdf5-18
hdf5-110
healpix
helfem	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
hepmc3
highfive	science/highfive: Update 2.6.1 -> 2.6.2	2022-11-22 14:05:34 -08:00
hypre	science/hypre: Update 2.25.0 -> 2.26.0	2022-10-16 12:37:32 -07:00
iboview
InsightToolkit	science/InsightToolkit: Use more external libraries	2022-11-19 11:14:37 -08:00
InsightToolkit501	science/InsightToolkit: Update 5.0.1 -> 5.2.1	2022-11-16 02:42:53 -08:00
InsightToolkit521	science/InsightToolkit521: Broken on i386	2022-12-04 13:20:45 -08:00
isaac-cfd
jdftx	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
jmol	science/jmol: Update 14.32.76 -> 14.32.79	2022-10-30 09:11:07 -07:00
jstrack
kalzium	KDE: Update KDE Gear to 22.08.3	2022-11-04 23:12:06 +01:00
kim-api
kplib
kst2
lammps	science/lammps: Change VTK dependency from VTK-8 to VTK-9; Add option NETCDF	2022-11-13 20:53:43 -08:00
lamprop
latte
libaec
libccp4
libcifpp	science/libcifpp: Not broken on i386 any more	2022-11-20 00:07:20 -08:00
libcint	science/libcint: Update 5.1.6 -> 5.1.7	2022-12-09 00:47:30 -08:00
libctl
libecpint
libefp
libgeodecomp
libgetar
libghemical
libgridxc
libint
libint2
libint2-psi4	science/libint2-psi4: New port: Evaluate the integrals in modern atomic and molecular theory (psi4)	2022-11-26 03:04:46 -08:00
libkml
liblinear
libmbd
libmsym
libnegf
liboglappth
libquantum
libssm
libsvm
libsvm-python
libtensorflow1
libvdwxc
libxc	science/libxc: upgrade to libXC 6	2022-11-05 15:42:46 +01:00
liggghts	math/vtk9: Update 9.1.0 -> 9.2.2	2022-10-24 01:14:57 -07:00
linux-zotero
luscus
madness	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
maeparser
massxpert
mbdyn	*/*: bump PORTREVISION after the upgrade of math/suitesparse*	2022-11-27 12:09:57 +01:00
mcstas
mcstas-comps
mctc-lib
mcxtrace
mcxtrace-comps
mdynamix	science/mdynamix: Broken on 12	2022-12-04 13:17:44 -08:00
medit
meep	science/meep: Update 1.24.0 -> 1.25.0	2022-11-19 22:22:40 -08:00
mercantile
metaphysicl
minc2
mmdb2
mmtf-cpp	devel/msgpack: Update and split into C and C++ versions	2022-10-16 15:10:02 -06:00
mol2ps
molgif	all: Bump PORTREVISION after lang/go{118,119} update	2022-10-06 14:24:26 -05:00
molscript
molsketch
mopac	science/mopac: Update 7.1.15 -> 22.0.5	2022-11-14 20:49:15 -08:00
mp2d	science/mp2d: New port: Program for calculating the MP2D dispersion energy	2022-12-07 04:04:25 -08:00
mpb
mpqc
mrchem	science/{,py-}mrchem: Update 1.1.0-20221026 -> 1.1.1	2022-12-03 22:48:24 -08:00
mrcpp	*/*: Change DISTVERSION to have a hyphen when it refers to a specific revision	2022-12-01 10:42:20 -08:00
msms
mstore
multicharge
multiwfn
namd
nest
netcdf
netcdf-cxx
netcdf-fortran
nifticlib
nlcglib
nwchem	*/*: Change DISTVERSION to have a hyphen when it refers to a specific revision	2022-12-01 10:42:20 -08:00
nwchem-data
ocean	science/ocean: New port: BSE code for core spectroscopy	2022-10-30 09:11:07 -07:00
octopus	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
openbabel	science/openbabel: Remove PYTHON option	2022-11-20 13:50:01 -08:00
openems	math/vtk9: Update 9.1.0 -> 9.2.2	2022-10-24 01:14:57 -07:00
openkim-models
openmc
openmolcas	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
openmx
opensim-core
opensph	devel/onetbb: Update to 2021.7.0	2022-11-03 12:32:41 +01:00
opsin
orthanc	devel/icu: update to 72.1	2022-10-19 08:10:29 +00:00
orthanc-dicomweb	devel/icu: update to 72.1	2022-10-19 08:10:29 +00:00
orthanc-mysql
orthanc-postgresql
orthanc-webviewer	devel/icu: update to 72.1	2022-10-19 08:10:29 +00:00
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
p5-Chemistry-Pattern
p5-Chemistry-Reaction
p5-Chemistry-Ring
p5-Geo-BUFR
p5-Geo-Calc	science/p5-Geo-Calc: Add new port	2022-11-21 20:37:54 +08:00
p5-Geo-Coordinates-Converter
p5-Geo-Coordinates-Converter-iArea
p5-Geo-WebService-Elevation-USGS
p5-Mcstas-Tools
p5-PerlMol
p5-Physics-Unit
packmol
pagmo2	devel/onetbb: Update to 2021.7.0	2022-11-03 12:32:41 +01:00
paje
paraview	science/paraview: upgrade to 5.11.0	2022-11-17 21:46:48 +01:00
pastix
pcmsolver
PETSc
phonopy	science/phonopy: Update 2.16.2.20220930 -> 2.16.3	2022-10-05 15:33:11 -07:00
plumed
pnetcdf
polytope	science/polytope: New port: Library for generating Voronoi and Voronoi-like tessellations	2022-12-03 01:47:44 -08:00
precice
psi4	science/psi4: Update 1.6.1-20221122 -> 1.7	2022-12-08 18:41:17 -08:00
pulseview
py-abipy
py-access	devel/py-cppy, math/py-kiwisolver: fix versions	2022-10-20 16:06:03 +02:00
py-arbor	science/py-arbor: New port: Multi-compartment neural network simulation library	2022-11-27 02:12:21 -08:00
py-asap3
py-asdf
py-asdf-standard
py-asdf-transform-schemas
py-ase
py-atomium	science/py-atomium: New port: Molecular modeller and file parser	2022-10-03 21:06:22 -07:00
py-avogadrolibs	science/py-avogadrolibs: Simplify patch	2022-11-19 16:10:49 -08:00
py-cdo
py-chainer	devel/protobuf: Update to 3.21.7	2022-10-09 23:37:51 +08:00
py-chainer-chemistry
py-chempy	science/py-chempy: Correct and add dependencies	2022-10-23 00:52:32 -07:00
py-cirq-aqt
py-cirq-core
py-cirq-google
py-cirq-ionq
py-cirq-pasqal
py-cirq-rigetti
py-coards
py-DendroPy
py-dimod	science/py-dimod: Update 0.12.1 -> 0.12.2	2022-11-16 02:42:54 -08:00
py-dipy
py-dlib
py-dwave-cloud-client
py-dwave-greedy
py-dwave-hybrid
py-dwave-inspector
py-dwave-neal	science/py-dwave-neal: Correct dependencies	2022-10-04 23:18:00 -07:00
py-dwave-networkx
py-dwave-ocean-sdk	science/py-dwave-ocean-sdk: Update 5.4.0 -> 5.5.0	2022-10-07 15:33:53 -07:00
py-dwave-preprocessing	science/py-dwave-preprocessing: Update 0.4.0 -> 0.5.2	2022-11-12 22:53:37 -08:00
py-dwave-samplers	science/py-dwave-samplers: Update 1.0.0.dev1 -> 1.0.0.dev2	2022-11-14 21:38:58 -08:00
py-dwave-system	science/py-dwave-system: Update 1.15.1 -> 1.16.0	2022-11-14 22:37:28 -08:00
py-dwave-tabu
py-dwavebinarycsp
py-earthpy	science/py-earthpy: adding a tool to plot and manipulate spatial data in Python	2022-11-04 12:59:05 +01:00
py-eccodes
py-esda	devel/py-cppy, math/py-kiwisolver: fix versions	2022-10-20 16:06:03 +02:00
py-fresnel	devel/onetbb: Update to 2021.7.0	2022-11-03 12:32:41 +01:00
py-gemmi	science/py-gemmi: Correct CATEGORIES	2022-10-03 19:40:28 -07:00
py-geolinks
py-geomet
py-geometer
py-geometric	science/py-geometric: Update 0.9.7.2 -> 1.0	2022-11-08 00:12:51 -08:00
py-gpaw	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
py-GPy
py-GPyOpt
py-gsd
py-h5json
py-h5py
py-hiphive
py-hoomd-blue	devel/onetbb: Update to 2021.7.0	2022-11-03 12:32:41 +01:00
py-inequality
py-jupyter_jsmol	devel/py-ipykernel5: Remove in favor of devel/py-ipykernel	2022-10-15 09:47:12 -07:00
py-kim-query
py-kimpy	science/py-kimpy: Update 2.0.1 -> 2.1.0	2022-12-09 00:47:31 -08:00
py-kinematics
py-kliff	science/py-kliff: Update 0.4.0 -> 0.4.1	2022-10-07 11:36:03 -07:00
py-kpLib
py-liac-arff
py-libgetar
py-libpysal
py-lifelines
py-MDAnalysis
py-MDAnalysisTests
py-mdp
py-meshio	science/py-meshio: add a program to handle I/O for mesh files	2022-11-19 17:35:40 +01:00
py-mmcif	science/py-mmcif: New port: mmCIF Core Access Library	2022-10-03 18:35:24 -07:00
py-mmtf-python
py-molmod
py-moltemplate	science/py-moltemplate: Update 2.20.15 -> 2.20.17	2022-12-04 13:17:44 -08:00
py-mrchem	science/{,py-}mrchem: Update 1.1.0-20221026 -> 1.1.1	2022-12-03 22:48:24 -08:00
py-netCDF4	science/py-netCDF4: Update version 1.6.0=>1.6.1	2022-11-05 09:19:17 -05:00
py-netcdf-flattener
py-nibabel
py-nilearn
py-obspy	science/py-obspy: Update to 1.4.0	2022-11-23 06:44:20 +08:00
py-oddt
py-openbabel	science/py-openbabel: New port: Chemical toolbox designed to speak the many languages of chemical data	2022-11-20 13:50:01 -08:00
py-OpenFermion
py-OpenFermion-Dirac
py-OpenFermion-PySCF
py-OpenMC
py-openpiv
py-optking	science/py-optking: New port: Python version of the PSI4 geometry optimization program by R.A. King	2022-12-08 03:11:24 -08:00
py-paida
py-paramz
py-penaltymodel
py-phono3py
py-phonopy	science/py-phonopy: Update 2.16.2 -> 2.16.3	2022-10-05 15:33:12 -07:00
py-PubChemPy
py-pupynere
py-py3Dmol
py-pyaixi
py-pyberny
py-pycsw	devel/py-cppy, math/py-kiwisolver: fix versions	2022-10-20 16:06:03 +02:00
py-pydicom
py-PyFR
py-pygeodesy
py-pygeometa	devel/py-cppy, math/py-kiwisolver: fix versions	2022-10-20 16:06:03 +02:00
py-pygmo2
py-pyked
py-pymatgen
py-pymbd
py-pymol	science/py-pymol: Update 2.4.0 -> 2.5.0-97	2022-11-27 13:03:05 -08:00
py-PyNE
py-pyosf
py-pyprecice
py-pyqubo	science/py-pyqubo: Update 1.2.0 -> 1.3.0	2022-10-04 23:18:01 -07:00
py-pysal
py-pyscf	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
py-pyteomics
py-qcelemental	science/py-qcelemental: Update 0.25.0 -> 0.25.1	2022-11-07 21:21:59 -08:00
py-qcengine	science/py-qcengine: Update 0.25.0 -> 0.26.0	2022-12-08 03:11:23 -08:00
py-qiskit
py-qiskit-aer
py-qiskit-experiments
py-qiskit-finance
py-qiskit-ibm-experiment
py-qiskit-ibm-provider
py-qiskit-ibmq-provider
py-qiskit-nature
py-qiskit-optimization
py-qiskit-terra	lang/rust: Bump revisions after 1.65.0	2022-11-17 08:06:14 +01:00
py-qspin
py-quantities
py-rmf
py-rmsd
py-ruffus
py-scikit-fuzzy
py-scikit-learn	science/py-scikit-learn: Update to 1.1.3	2022-11-17 00:51:38 +00:00
py-scikit-optimize
py-scikit-sparse	science/py-scikit-sparse: Add dependenency on libcholmod.so	2022-11-27 13:03:06 -08:00
py-scimath
py-scipy	science/py-scipy: fix packaging with PYTHON_DEFAULT!=3.9 (+)	2022-11-05 21:05:56 +03:00
py-scoria
py-sdf	science/py-sdf: add a simple SDF mesh generator	2022-11-19 17:35:41 +01:00
py-segregation	devel/py-cppy, math/py-kiwisolver: fix versions	2022-10-20 16:06:03 +02:00
py-segyio
py-SimpleSpectral
py-sklearn-pandas
py-skrebate
py-spaghetti	science/py-spaghetti: Update to 1.6.7	2022-11-19 16:12:30 +08:00
py-spglib	science/spglib: Update 1.16.5 -> 2.0.1	2022-10-07 19:36:41 -07:00
py-tensorflow	devel/icu: update to 72.1	2022-10-19 08:10:29 +00:00
py-thewalrus
py-tobler	devel/py-cppy, math/py-kiwisolver: fix versions	2022-10-20 16:06:03 +02:00
py-trainstation
py-tweedledum
py-veusz	science/py-veusz: Update 3.4 -> 3.5.3	2022-11-07 13:58:34 -08:00
pybrain
pynn	science/pynn: Update to 0.10.1	2022-11-11 12:59:52 +00:00
q
qbox
qcl
qiskit-aer
qmcpack	science/qmcpack: Update 3.14.0 -> 3.15.0	2022-10-09 10:40:41 -07:00
quantum-espresso
quantum-espresso-pseudopotentials
quantum-jet
qwalk
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-ks	science/R-cran-ks: upgrade to 1.14.0	2022-11-25 17:13:03 +01:00
R-cran-snow
R-cran-som
R-cran-udunits2
rdkit
rmf
rubygem-ai4r
rubygem-cdo
rubygem-rgeo
rubygem-rgeo-geojson
rubygem-rgeo-proj4	graphics/proj: Update to 9.1.0	2022-11-17 09:20:57 +01:00
rubygem-rgeo-shapefile
rubygem-ruby-dcl
rubygem-ruby-netcdf
scidavis
sciplot	graphics/sciplot: Move to science/sciplot	2022-11-15 23:33:04 -08:00
segyio
serac	science/hypre: Update 2.25.0 -> 2.26.0	2022-10-16 12:37:32 -07:00
shelxle
siconos	*/*: bump PORTREVISION after the upgrade of math/suitesparse*	2022-11-27 12:09:57 +01:00
siesta
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo	science/silo: Update 4.10.2 -> 4.11-68	2022-12-03 18:05:40 -08:00
simbody
simgrid
simint
simlib
simple-dftd3
simsmith
sirius	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
smoldyn	science/smoldyn: Update 2.68 -> 2.69; Fix tests	2022-10-20 13:31:39 -07:00
sparta
spglib	science/spglib: Correct workaround for missing -lomp for fortran	2022-11-26 21:49:19 -08:00
step	KDE: Update KDE Gear to 22.08.3	2022-11-04 23:12:06 +01:00
svmlight
tblite
teem
tfel
tfel-edf
thermofun	science/thermofun: Update 0.4.0 -> 0.4.1	2022-11-27 14:06:02 -08:00
tinker
trilinos	*/*: bump PORTREVISION after the upgrade of math/suitesparse*	2022-11-27 12:09:57 +01:00
ttk	science/ttk: Unbreak by adding nlohmann-json build-time dependency	2022-11-21 10:59:50 -08:00
tweedledum
udunits
ukrmol+
v_sim	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
vipster
vmd	science/vmd: Update to 1.9.4a57	2022-11-15 18:36:16 -06:00
voro++
votca	science/*: bump PORTREVISION in consumers of libXC	2022-11-05 15:47:18 +01:00
wannier90
wwplot
wxmacmolplt
xcfun
xcrysden
xdrawchem
xtb	science/xtb: Update 6.4.1 -> 6.5.1; Add tests	2022-11-14 19:06:49 -08:00
yoda
zotero
zx	science/zx: New port: MQT ZX: A library for working with ZX-diagrams	2022-11-02 09:22:57 -07:00
Makefile	science/py-optking: New port: Python version of the PSI4 geometry optimization program by R.A. King	2022-12-08 03:11:24 -08:00