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mirror of https://git.FreeBSD.org/ports.git synced 2024-12-03 01:23:49 +00:00
freebsd-ports/science
Yuri Victorovich d93621f8b3 science/jmol: Update 14.31.28 -> 14.31.29
Reported by:	portscout
2021-02-02 17:14:59 +00:00
..
2d-rewriter
abinit Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
afni science/afni: update to 21.0.6 2021-01-28 12:53:39 +00:00
agrum Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
aircraft-datcom
ALPSCore
antioch
apbs
atompaw science/atompaw: Update 4.1.0.6 -> 4.1.1.0 2021-01-29 21:59:39 +00:00
avogadro2
avogadrolibs
axom
bagel
bddsolve
berkeleygw
bodr
buddy
cdcl
cdf
cdk
cdo Update to 1.9.10 2021-01-30 12:21:21 +00:00
cgnslib
cgribex science/cgribex: fix build on powerpc64le, powerpc64 with CPUTYPE=power6 and newer with Clang 2021-01-27 13:16:16 +00:00
checkmol - lang/fpc revert way like linker is taken by fpc compiler 2021-01-14 21:11:15 +00:00
chemical-mime-data
chemps2 science/chemps2: Update 1.8.9 -> 1.8.10 2021-02-01 09:53:54 +00:00
chemtool
chemtool-devel
chrono
clhep
clipper
code_saturne Remove PY_SPHINX from ports using Python 3 2021-01-14 14:34:38 +00:00
colt
conduit
coordgenlibs
cp2k Update GCC_DEFAULT from 9 to 10. 2021-01-13 23:03:31 +00:00
cp2k-data
crf++
dalton
dcl
devisor
dftbplus
dkh
dlib-cpp science/dlib-cpp: fix build on powerpc64le 2021-01-11 14:07:58 +00:00
drawxtl
dvc
eccodes Update to 2.20.0 2021-01-30 12:21:28 +00:00
elk science/elk: Not broken any more. 2021-01-05 07:42:49 +00:00
elmerfem Update GCC_DEFAULT from 9 to 10. 2021-01-13 23:03:31 +00:00
epte
erd
ergo
erkale
erkale-pseudopotentials
fastcap
fasthenry
fastjet
fisicalab
fsom
fvcom
fvcom-mpi
gabedit
gamess-us
gchemutils science/openbabel: Upgrade 2.4.1 -> 3.1.1 2021-01-13 00:31:38 +00:00
gdma
getdp Fix r561520 2021-01-26 17:56:08 +00:00
ghemical
ghmm
gnudatalanguage Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
gpaw-setups
gramps
grib_api Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
gromacs science/gromacs: Update 2020.4 -> 2020.5 2021-01-09 10:33:49 +00:00
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf
hdf5
hdf5-18
healpix Bump PORTREVISION for astro/cfitsio shlib change 2021-01-26 14:00:17 +00:00
hepmc3
highfive
hypre
iboview
InsightToolkit
isaac-cfd
jdftx
jmol science/jmol: Update 14.31.28 -> 14.31.29 2021-02-02 17:14:59 +00:00
jstrack
kalzium science/kalzium: revrse unnecessary patching 2021-01-13 09:13:48 +00:00
kim-api
kst2 Bump PORTREVISION for astro/cfitsio shlib change 2021-01-26 14:00:17 +00:00
lammps
lamprop science/lamprop: 2021-01-06 16:06:28 +00:00
latte
libaec
libccp4
libcint
libctl
libefp
libgeodecomp
libghemical
libgridxc Fix r561520 2021-01-26 17:56:12 +00:00
libint
libint2
libkml
liblinear
libmsym
liboglappth
libquantum
libssm
libsvm
libsvm-python
libvdwxc
libxc
liggghts
luscus science/openbabel: Upgrade 2.4.1 -> 3.1.1 2021-01-13 00:31:38 +00:00
madness science/madness: Make TBB dependency optional, OFF by default until the upstream fixes oneTBB support 2021-01-15 18:35:59 +00:00
maeparser
massxpert
mbdyn
mcstas
mcstas-comps
mcxtrace
mcxtrace-comps
mdynamix Do not include bsd.port.mk twice 2021-02-01 19:54:12 +00:00
medit
metaphysicl
minc2 Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
mmdb2
mmtf-cpp
mol2ps - lang/fpc revert way like linker is taken by fpc compiler 2021-01-14 21:11:15 +00:00
molgif
molscript
molsketch science/openbabel: Upgrade 2.4.1 -> 3.1.1 2021-01-13 00:31:38 +00:00
mpb
mpqc devel/doxygen: Update to 1.9.0 2021-01-08 07:47:02 +00:00
msms
multiwfn
namd
nest
netcdf Update to 4.7.4 2021-01-26 14:03:53 +00:00
netcdf-cxx Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
netcdf-fortran Update to 4.5.3 2021-01-26 14:04:11 +00:00
nifticlib
nwchem
nwchem-data
octopus science/octopus: Update 10.1 -> 10.3 2021-01-12 07:49:47 +00:00
openbabel science/openbabel: Update 2.4.1 -> 3.1.1 2021-01-13 04:02:26 +00:00
openkim
openkim-models science/openkim-model: Update 2019-07-25 -> 2021-01-28 2021-01-29 18:27:12 +00:00
opensim-core
opensph
opsin
p5-Algorithm-SVMLight
p5-Chemistry-3DBuilder
p5-Chemistry-Bond-Find
p5-Chemistry-Canonicalize
p5-Chemistry-Elements Update to 1.074 2021-01-26 17:54:46 +00:00
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 Update to 0.118 2021-01-26 17:54:51 +00:00
p5-Mcstas-Tools
p5-PerlMol
p5-Physics-Unit
packmol
pagmo2
paje
pcmsolver
PETSc
plumed science/plumed: Update 2.6.2 -> 2.7.0 2021-01-03 06:32:47 +00:00
pnetcdf Cosmetic change 2021-01-26 17:22:01 +00:00
pulseview
py-abipy Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-access Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-asdf Update to 2.7.2 2021-01-26 17:37:23 +00:00
py-ase science/py-ase: Update 3.21.0 -> 3.21.1 2021-01-29 16:38:20 +00:00
py-avogadrolibs
py-cdo
py-chainer Bump PORTREVISION for devel/protobuf shlib change 2021-01-26 14:01:09 +00:00
py-chainer-chemistry Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-chempy
py-coards
py-DendroPy
py-dipy New port: science/py-dipy: Python toolbox for analysis of MR diffusion imaging 2021-01-21 03:21:18 +00:00
py-dlib science/py-dlib: fix build on powerpc64le 2021-01-25 12:59:42 +00:00
py-eccodes Update to 1.1.0 2021-01-26 17:37:28 +00:00
py-esda Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-geolinks
py-geomet Update to 0.3.0 2021-01-30 12:25:36 +00:00
py-geometer
py-geometric
py-gpaw
py-GPy
py-GPyOpt
py-gsd
py-h5json
py-h5py Update to 3.1.0 2021-01-26 17:37:37 +00:00
py-inequality Add py-inequality 1.0.0 2021-01-03 19:58:04 +00:00
py-jupyter_jsmol Upgrade to v0.2.6. 2021-01-29 18:37:56 +00:00
py-kim-query
py-kinematics Remove py-pytest-runner from BUILD_DEPENDS 2021-01-10 23:14:07 +00:00
py-kliff
py-liac-arff
py-libpysal Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-lifelines Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-MDAnalysis
py-MDAnalysisTests Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-mdp
py-mmtf-python
py-molmod
py-moltemplate
py-netCDF4 Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
py-netcdf-flattener
py-nibabel New port: science/py-nibabel: Read/write some common neuroimaging file formats 2021-01-21 02:07:06 +00:00
py-nilearn Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:37:02 +00:00
py-obspy
py-oddt Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-OpenFermion
py-openpiv science/py-openpiv: update to 0.23.4 2021-01-27 06:26:23 +00:00
py-paida
py-paramz
py-phono3py
py-phonopy science/py-phonopy: Update 2.9.0 -> 2.9.1 2021-01-30 10:43:11 +00:00
py-pupynere
py-pyaixi
py-pycsw
py-pydicom
py-PyFR
py-pygeodesy Update to 21.1.21 2021-01-30 12:25:47 +00:00
py-pygeometa Update to 0.6.0 2021-01-26 17:37:42 +00:00
py-pygmo2
py-pymatgen Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-pymol Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
py-pyosf
py-pysal Update to 2.3.0 2021-02-01 19:35:52 +00:00
py-pyteomics Update to 4.4.1 2021-01-26 17:37:47 +00:00
py-qcelemental
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 science/py-scipy: Update 1.5.4 -> 1.6.0 2021-01-23 05:37:12 +00:00
py-scoria
py-segregation Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
py-segyio
py-SimpleSpectral
py-spaghetti Update to 1.5.3 2021-02-01 19:35:58 +00:00
py-spglib science/py-spglib: Update 1.16.0 -> 1.16.1 2021-02-01 04:28:32 +00:00
py-tensorflow Bump PORTREVISION for devel/protobuf shlib change 2021-01-26 14:01:09 +00:00
py-tobler Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+ 2021-01-30 13:29:58 +00:00
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 - Update to 2.43 2021-01-30 04:53:09 +00:00
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 2020.09.3 -> 2020.09.4 2021-01-23 06:24:28 +00:00
rmf
rubygem-ai4r
rubygem-cdo
rubygem-rgeo
rubygem-rgeo-geojson
rubygem-rgeo-proj4
rubygem-rgeo-shapefile
rubygem-ruby-dcl
rubygem-ruby-netcdf Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
scidavis
segyio
shelxle science/shelxle: Update 1.0.1205 -> 1.0.1215 2021-01-26 20:44:17 +00:00
siesta
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo
simbody
simgrid science/simgrid: Update 3.25 -> 3.26 2021-01-04 22:59:09 +00:00
simint
simlib
simsmith
smoldyn
sparta
spglib
step Update KDE Release Service ports to 20.12.1 2021-01-08 19:15:30 +00:00
svmlight
szip
teem
tfel
tfel-edf - Chase gfortran10 and do not force Gcc any more; 2021-01-24 11:19:08 +00:00
thermofun New port: science/thermofun: Code for calculating thermodynamic properties of materials 2021-02-02 00:48:20 +00:00
tinker
udunits Update to 2.2.28 2021-01-03 20:05:21 +00:00
v_sim Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
vipster
vmd Bump PORTREVISION for science/netcdf shlib change 2021-01-26 14:04:01 +00:00
voro++
votca
wannier90
wwplot
wxmacmolplt
xcrysden
xdrawchem science/xdrawchem: 1.10.2-1 -> 1.11.0-2 2021-01-13 00:52:20 +00:00
xtb
yoda
Makefile New port: science/thermofun: Code for calculating thermodynamic properties of materials 2021-02-02 00:48:20 +00:00