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mirror of https://git.FreeBSD.org/ports.git synced 2024-11-20 00:21:35 +00:00
freebsd-ports/science
Yuri Victorovich d518ae499e science/py-pymatgen: Update 2022.0.11 -> 2022.0.12
Reported by:	portscout
2021-08-26 10:45:42 -07:00
..
2d-rewriter
abinit science/abinit: Remove PY_PYGMENTS 2021-06-21 00:16:17 +08:00
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 math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
apbs
atompaw
avogadro2 graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
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 graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
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 science/code_saturne: upgrade to 7.0 2021-06-18 17:56:36 +02:00
colt
conduit
coordgenlibs science/coordgenlibs: Update 1.4.2 -> 2.0.3 2021-06-11 02:57:59 -07:00
cp2k
cp2k-data
crf++
csvtk science/csvtk: Cross-platform and ultrafast toolkit for CSV/TSV processing 2021-06-18 16:28:21 -05:00
dakota math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
dalton
dcl
devisor
dftbplus
dkh
dlib-cpp
drawxtl graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
dvc
dynare science/dynare: Replace USE_GCC=any with USE_GCC=yes 2021-08-23 20:11:21 +00:00
eccodes science/eccodes: Update to 2.22.1 2021-07-25 04:20:58 +08:00
elk science/elk: Update 7.1.14 -> 7.2.42 2021-06-14 11:26:02 -07:00
elmerfem graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
epte
erd
ergo
erkale math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
erkale-pseudopotentials
fastcap
fasthenry
fastjet
fisicalab math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
frontistr
fsom
fvcom
fvcom-mpi
gabedit graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
gamess-us
gchemutils graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
gdma
getdp math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
ghemical graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
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 science/gromacs: Update 2021.2 -> 2021.3 2021-08-19 11:04:44 -07:00
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf science/hdf: add back the previously removed powerpc workaround 2021-06-16 22:33:27 +00:00
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 science/hypre: Update 2.22.0 -> 2.22.1 2021-08-21 10:12:16 -07:00
iboview graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
InsightToolkit
isaac-cfd
jdftx math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
jmol science/jmol: Update 14.31.51 -> 14.31.52 2021-08-19 11:04:44 -07:00
jstrack
kalzium KDE: Update KDE Gear to 21.08.0 2021-08-13 09:15:29 +02:00
kim-api
kst2 math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
lammps science/lammps: Update 14May2021 -> 2Jul2021 2021-07-02 17:53:21 -07:00
lamprop
latte
libaec science/libaec: Update to 1.0.5 2021-06-21 04:45:42 +08:00
libccp4
libcint science/libcint: Update 4.4.3 -> 4.4.4 2021-08-15 13:33:33 -07:00
libctl
libecpint
libefp
libgeodecomp
libghemical graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
libgridxc
libint
libint2
libkml devel/googletest: update to 1.11.0 2021-06-12 03:25:45 +00:00
liblinear
libmsym
liboglappth graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
libquantum
libssm
libsvm
libsvm-python
libvdwxc
libxc
liggghts
luscus graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
madness
maeparser
massxpert
mbdyn
mcstas
mcstas-comps
mcxtrace
mcxtrace-comps
mdynamix
medit graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
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 graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
molsketch
mpb
mpqc
msms
multiwfn
namd
nest science/nest: fix build on powerpc 2021-06-30 20:37:50 +00:00
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 science/coordgenlibs: Update 1.4.2 -> 2.0.3 2021-06-11 02:57:59 -07:00
openems science/openems: Change to vtk8 because the app using this library doesn't support vtk9 2021-08-19 01:46:11 -07:00
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 graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
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 science/py-asdf: Update to 2.8.1 2021-06-15 01:40:23 +08:00
py-ase science/py-ase: Update 3.21.1 -> 3.22.0 2021-06-28 01:08:47 -07:00
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 science/py-eccodes: Update to 1.3.3 2021-06-21 00:16:03 +08:00
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 science/py-h5py: Update to 3.3.0 2021-07-01 04:43:44 +08:00
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 science/py-jupyter_jsmol: Remove PY_PYGMENTS 2021-06-21 00:16:17 +08:00
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 science/py-libpysal: Update to 4.5.1 2021-07-06 22:57:09 +08:00
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 science/py-nilearn: Update 0.7.1 -> 0.8.0 2021-06-18 10:16:59 -07:00
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 science/py-phono3py: Remove unnecessary build dependency on math/lapacke 2021-06-08 20:32:22 -07:00
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 science/py-pygeodesy: Update to 21.6.16 2021-06-21 04:46:40 +08:00
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 2022.0.11 -> 2022.0.12 2021-08-26 10:45:42 -07:00
py-pymol graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
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 science/py-quantities: Update 0.12.4 -> 0.12.5 2021-08-17 12:10:45 -07:00
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 science/py-segregation: Update to 2.0.0 2021-06-21 00:16:03 +08:00
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 science/qbox: 1.73.2 -> 1.73.3 2021-08-20 22:56:24 -07:00
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 2021.03.4 -> 2021.03.5 2021-08-25 22:38:54 -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 graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
segyio science/segyio: Update 1.9.6 -> 1.9.7 2021-08-15 13:34:50 -07:00
shelxle science/shelxle: Update 1.0.1302 -> 1.0.1306 2021-08-26 01:36:56 -07:00
siconos science/siconos: Add test target (currently broken) 2021-08-25 13:28:24 -07:00
siesta
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo
simbody graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
simgrid science/simgrid: Update 3.27 -> 3.28 2021-08-16 00:06:31 -07:00
simint
simlib
simsmith
smoldyn science/smoldyn: Update 2.65 -> 2.66 2021-06-20 10:58:51 -07:00
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 science/thermofun: Update 0.3.7 -> 0.3.8 2021-06-28 15:46:19 -07:00
tinker science/tinker: Update 8.9.2 -> 8.9.3 2021-08-15 12:33:59 -07:00
udunits
v_sim graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
vipster graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
vmd graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
voro++
votca science/votca: Update 2021 -> 2021.1 2021-07-18 17:49:20 -07:00
wannier90
wwplot
wxmacmolplt graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
xcfun
xcrysden graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
xdrawchem graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
xtb
yoda
Makefile science/openems: New port: Electromagnetic field solver using the EC-FDTD method 2021-08-18 18:25:38 -07:00