Yuri Victorovich a0db7d4b63 science/jmol: Update 14.31.3 -> 14.31.4		2020-09-14 05:24:51 +00:00
..
2d-rewriter
abinit
afni
agrum
aircraft-datcom
ALPSCore
antioch
apbs
atompaw
avogadro2
avogadrolibs
bagel
bddsolve
berkeleygw
bodr
brian
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
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++
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	science/eccodes: fix build on big-endian architectures	2020-09-07 19:11:28 +00:00
elk
elmerfem
epte
erd
ergo
erkale
erkale-pseudopotentials
fastcap
fasthenry
fastjet
fisicalab
fsom
fvcom
fvcom-mpi
gabedit
gamess-us
gchemutils
gdma
getdp
ghemical
ghmm
gnudatalanguage
gpaw-setups
gramps
grib_api
gromacs
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf
hdf5
hdf5-18
healpix
hepmc3
highfive
hypre
iboview
InsightToolkit
isaac-cfd
jdftx
jmol	science/jmol: Update 14.31.3 -> 14.31.4	2020-09-14 05:24:51 +00:00
jstrack
kalzium
kim-api
kst2
lammps
lamprop
latte
libaec
libccp4
libcint
libctl
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
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
paje
paraview
pcmsolver
PETSc
plumed
pnetcdf
pulseview
py-abipy
py-asdf
py-ase	science/py-ase: Update 3.20.0 -> 3.20.1	2020-09-05 06:05:19 +00:00
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	New port: science/py-geometric: Geometry optimization for quantum chemistry	2020-09-13 19:55:43 +00:00
py-gpaw
py-GPy
py-GPyOpt
py-gsd	science/py-gsd: Update 2.1.2 -> 2.2.0	2020-09-06 14:40:22 +00:00
py-h5json
py-h5py
py-kim-query
py-kinematics
py-kliff
py-liac-arff	Update to 2.5.0	2020-09-05 10:10:15 +00:00
py-lifelines
py-MDAnalysis
py-MDAnalysisTests
py-mdp
py-mmtf-python
py-molmod
py-moltemplate
py-netCDF4
py-obspy
py-oddt
py-OpenFermion
py-openpiv
py-paida
py-paramz
py-phono3py
py-phonopy
py-pupynere
py-pyaixi
py-pycsw
py-pydicom
py-PyFR
py-pygeodesy
py-pygeometa
py-pygmo2
py-pymatgen
py-pymol
py-pyosf
py-pysal
py-pyteomics	Update version requirement of RUN_DEPENDS	2020-09-05 21:32:55 +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
py-scikit-learn
py-scikit-optimize	Update to 0.8.1	2020-09-06 15:37:09 +00:00
py-scikit-sparse
py-scimath
py-scipy
py-scoria
py-SimpleSpectral
py-spglib
py-tensorflow
py-veusz
pybrain
pynn
qbox
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	Update to 3.0.0	2020-09-05 21:35:09 +00:00
rubygem-ruby-dcl
rubygem-ruby-netcdf
scidavis
siesta
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo
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
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
xdrawchem
xfce4-equake-plugin
xtb
yoda
Makefile	New port: science/py-geometric: Geometry optimization for quantum chemistry	2020-09-13 19:55:43 +00:00