freebsd-ports/science
Yuri Victorovich 29e192ad3f MFH: r555008
science/agrum: Update 0.18.1 -> 0.18.2

Changelog: https://gitlab.com/agrumery/aGrUM/-/blob/master/CHANGELOG.md

Approved by:	ports-secteam (Riggs)
2020-11-15 05:32:37 +00:00
..
2d-rewriter
abinit
afni science/afni: update to 20.2.19 2020-09-30 11:11:44 +00:00
agrum MFH: r555008 2020-11-15 05:32:37 +00:00
aircraft-datcom
ALPSCore
antioch
apbs
atompaw
avogadro2
avogadrolibs
bagel
bddsolve
berkeleygw
bodr
buddy
cdcl
cdf
cdk
cdo
cgnslib Upgrade to v4.1.2 and add a test target. 2020-09-13 09:26:10 +00:00
cgribex
checkmol
chemical-mime-data
chemps2
chemtool science/chemtool: Fix build on 13 by adding -fcommon 2020-09-20 23:32:51 +00:00
chemtool-devel
chrono
clhep
clipper
code_saturne Upgrade to v6.1.2 (6.2.0 is still an intermediate release). 2020-09-13 19:31:29 +00:00
colt
coordgenlibs
cp2k
cp2k-data
crf++ Clean up some things 2020-09-24 08:50:25 +00:00
dalton
datawarrior
dcl
devisor
dftbplus
dkh
dlib-cpp
dlpoly-classic
drawxtl
dvc Fix build post-r547793. 2020-09-09 15:24:00 +00:00
eccodes Use local patch file instead of PATCHFILES 2020-09-19 15:35:11 +00:00
elk
elmerfem
epte
erd
ergo
erkale
erkale-pseudopotentials
fastcap
fasthenry
fastjet
fisicalab
fsom
fvcom
fvcom-mpi
gabedit science/gabedit: Update 2.5.1-061218 -> 2.5.1-300720; Fix build on 13 2020-09-20 22:12:22 +00:00
gamess-us
gchemutils
gdma
getdp
ghemical
ghmm
gnudatalanguage Unbreak bulk -a 2020-09-19 14:15:42 +00:00
gpaw-setups
gramps
grib_api
gromacs
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf
hdf5
hdf5-18
healpix
hepmc3
highfive
hypre science/hypre: Update 2.19.0 -> 2.20.0 2020-09-25 19:01:00 +00:00
iboview
InsightToolkit
isaac-cfd
jdftx
jmol science/jmol: Update 14.31.7 -> 14.31.8 2020-09-29 08:25:14 +00:00
jstrack
kalzium MFH: r554144 2020-11-06 04:27:31 +00:00
kim-api
kst2 Force to rebuild after math/matio update 2020-09-26 16:30:14 +00:00
lammps science/lammps: Update 24Aug2020 -> 18Sep2020 2020-09-19 03:35:55 +00:00
lamprop
latte
libaec
libccp4
libcint
libctl
libefp
libgeodecomp - Fix build 2020-09-20 07:35:09 +00:00
libghemical
libgridxc MFH: r552183 2020-10-13 08:13:39 +00:00
libint
libint2
libkml
liblinear
libmsym
liboglappth
libquantum
libssm
libsvm
libsvm-python
libvdwxc
libxc
liggghts
luscus science/luscus: Fix build on 13 2020-09-21 16:24:03 +00:00
madness
maeparser
massxpert
mbdyn
mcstas
mcstas-comps
mcxtrace
mcxtrace-comps
mdynamix
medit
metaphysicl
minc2
mmdb2
mmtf-cpp
mol2ps
molgif
molscript
molsketch
mpb Change the maintainer entry in rhurlin's ports 2020-09-10 19:17:38 +00:00
mpqc
msms
multiwfn
namd
nest
netcdf
netcdf-cxx
netcdf-fortran
nifticlib
nwchem
nwchem-data
octopus
openbabel
openkim
openkim-models
opensim-core
opensph
opsin
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 science/pagmo2: Update 2.15.0-95 -> 2.15.0-102 2020-09-19 19:52:53 +00:00
paje
pcmsolver
PETSc
plumed
pnetcdf
pulseview
py-abipy
py-asdf
py-ase
py-avogadrolibs
py-cdo
py-chainer
py-chainer-chemistry
py-chempy
py-coards
py-DendroPy
py-dlib
py-eccodes-python
py-geolinks
py-geomet
py-geometer
py-geometric Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-gpaw
py-GPy
py-GPyOpt
py-gsd
py-h5json
py-h5py
py-kim-query
py-kinematics
py-kliff
py-liac-arff
py-lifelines Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-MDAnalysis
py-MDAnalysisTests
py-mdp
py-mmtf-python
py-molmod
py-moltemplate science/py-moltemplate: Update 2.18.3 -> 2.18.6 2020-09-29 08:19:32 +00:00
py-netCDF4
py-obspy Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-oddt
py-OpenFermion Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-openpiv science/py-openpiv: update to 0.22.3 2020-09-28 21:18:16 +00:00
py-paida
py-paramz
py-phono3py Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-phonopy science/py-phonopy: Update 2.7.1 -> 2.8.0 2020-09-24 01:03:56 +00:00
py-pupynere
py-pyaixi
py-pycsw
py-pydicom
py-PyFR
py-pygeodesy
py-pygeometa
py-pygmo2 science/py-pygmo2: Update 2.15.0-121 -> 2.15.0-139 2020-09-19 19:55:21 +00:00
py-pymatgen
py-pymol
py-pyosf
py-pysal
py-pyteomics Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-qcelemental science/py-qcelemental: Update 0.12.0 -> 0.16.0 2020-09-13 19:43:38 +00:00
py-qcengine science/py-qcengine: Update 0.10.0 -> 0.16.0 2020-09-13 19:47:28 +00:00
py-qspin
py-quantities
py-rmf
py-rmsd
py-ruffus
py-scikit-fuzzy Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-scikit-learn
py-scikit-optimize
py-scikit-sparse
py-scimath - Update to 4.2.0 2020-09-25 03:11:49 +00:00
py-scipy
py-scoria
py-SimpleSpectral
py-spglib
py-tensorflow
py-veusz
pybrain
pynn
qbox science/qbox: Update 1.71.5 -> 1.72.0 2020-09-25 19:01:45 +00:00
qcl
qiskit-aer devel/libfmt: Update to 7.0.3 2020-09-07 21:19:41 +00:00
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 - Update to 1.1.1 2020-09-09 08:59:47 +00:00
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
siesta
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo science/silo: Backport of patches from Debian to support Python 3 2020-09-27 11:32:55 +00:00
simbody
simgrid science/simgrid: add libunwind to dependencies on powerpc64 2020-09-12 19:19:49 +00:00
simint
simlib
simsmith
smoldyn
sparta
spglib
step MFH: r554144 2020-11-06 04:27:31 +00:00
svmlight
szip
teem
tfel
tinker
udunits
v_sim
vipster devel/libfmt: Update to 7.0.3 2020-09-07 21:19:41 +00:00
vmd
voro++
votca
wannier90
wwplot
wxmacmolplt
xcrysden science/xcrysden: Fix build on 13 by adding -fcommon 2020-09-21 00:45:07 +00:00
xdrawchem
xfce4-equake-plugin
xtb science/xtb: update to 6.3.3 2020-09-20 21:19:02 +00:00
yoda
Makefile Remove expired ports: 2020-09-19 13:01:00 +00:00