Wen Heping 3f25aeb453 science/R-cran-bayesm: Update to 3.1.5		2022-12-22 22:09:10 +08:00
..
2d-rewriter
abinit
afni	science/afni: update to 22.3.06	2022-12-05 22:17:07 +01:00
agrum
aircraft-datcom
ALPSCore
antioch
apbs
arbor	science/arbor: Broken on armv7	2022-12-10 23:25:26 -08:00
ascent
atompaw
avogadro2	science/avogadro2: Update WWW	2022-11-19 16:10:48 -08:00
avogadrolibs
axom
bagel
bddsolve
berkeleygw
bodr
buddy
cantera	*/*: chase the upgrade of devel/libfmt to 9.1.0	2022-12-19 10:31:34 +01:00
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	*/*: chase the upgrade of devel/libfmt to 9.1.0	2022-12-19 10:31:34 +01:00
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	Mk/**tex.mk: Convert bsd.tex.mk to USES=tex	2022-12-19 08:44:58 -06:00
colt
conduit
coordgenlibs
cp2k
cp2k-data
crf++
csvtk	all: Bump PORTREVISION after lang/go{118,119} update	2022-12-11 06:17:27 -05:00
dakota
dalton	science/dalton: Broken on armv7	2022-12-10 23:32:12 -08:00
dcl
dd_package
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	*/*: Limit BROKEN statement for missing ieee_arithmetic.mod feature on powerpc64*	2022-12-20 23:13:58 -08:00
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	science/dynare: Update 5.2 -> 5.3	2022-12-22 00:43:31 -08:00
eccodes
elk	science/elk: Update 8.5.10 -> 8.6.7	2022-12-12 19:47:34 -08:00
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
erkale-pseudopotentials
fastcap
fasthenry
fastjet
feff10
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
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
hdf5-18
hdf5-110
healpix
helfem
hepmc3
highfive	science/highfive: Update 2.6.1 -> 2.6.2	2022-11-22 14:05:34 -08:00
hypre
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
jmol
jstrack
kalzium	KDE: Update KDE Gear to 22.12	2022-12-10 08:46:22 +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
liggghts
linux-zotero
luscus
m-aneos	science/m-aneos: New port: M-ANEOS: program for construction of thermodynamic equations of state	2022-12-10 01:51:02 -08:00
madness
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
mol2ps
molgif	all: Bump PORTREVISION after lang/go{118,119} update	2022-12-11 06:17:27 -05:00
molscript
molsketch
mopac	science/mopac: Update 22.0.5 -> 22.0.6	2022-12-18 17:54:31 -08:00
mp2d	science/mp2d: New port: Program for calculating the MP2D dispersion energy	2022-12-07 04:04:25 -08:00
mpb
mpqc	Mk/**tex.mk: Convert bsd.tex.mk to USES=tex	2022-12-19 08:44:58 -06:00
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
octopus
openbabel	science/openbabel: Remove PYTHON option	2022-11-20 13:50:01 -08:00
openems
openkim-models
openmc	*/*: chase the upgrade of devel/libfmt to 9.1.0	2022-12-19 10:31:34 +01:00
openmodelica	science/openmodelica: Fix typo in cmake option name	2022-12-19 11:38:47 -08:00
openmolcas
openmx
opensim-core
opensph
opsin
orthanc
orthanc-dicomweb
orthanc-mysql
orthanc-postgresql
orthanc-webviewer
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
paje
paraview	science/paraview: upgrade to 5.11.0	2022-11-17 21:46:48 +01:00
pastix
pcmsolver
PETSc	science/PETSc: Update 3.16.3 -> 3.18.2	2022-12-22 00:43:32 -08:00
phonopy
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
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
py-avogadrolibs	science/py-avogadrolibs: Simplify patch	2022-11-19 16:10:49 -08:00
py-cdo
py-chainer
py-chainer-chemistry
py-chempy
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
py-dwave-networkx
py-dwave-ocean-sdk
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
py-eccodes
py-esda
py-fresnel
py-gemmi
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
py-GPy
py-GPyOpt
py-gsd
py-h5json
py-h5py
py-hiphive
py-hoomd-blue
py-inequality
py-jupyter_jsmol
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
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
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 1.6.1=>1.6.2	2022-12-14 15:41:14 -06:00
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
py-PubChemPy
py-pupynere
py-py3Dmol
py-pyaixi
py-pyberny
py-pycsw
py-pydicom	science/py-pydicom: Update to 2.3.1	2022-12-22 16:34:52 +08:00
py-PyFR
py-pygeodesy
py-pygeometa
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	science/py-PyNE: Correct MASTER_SITES URLs & add comment	2022-12-13 19:19:45 -08:00
py-pyosf
py-pyprecice
py-pyqubo
py-pysal
py-pyscf	science/py-pyscf: Update 2.1.0 -> 2.1.1	2022-12-10 01:51:02 -08:00
py-pyteomics
py-qcelemental
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 1.66.0	2022-12-20 18:37:15 +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
py-scoria
py-sdf	science/py-sdf: add a simple SDF mesh generator	2022-11-19 17:35:41 +01:00
py-segregation
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
py-tensorflow
py-thewalrus
py-tobler
py-trainstation
py-tweedledum
py-veusz
pybrain
pynn	science/pynn: Update to 0.10.1	2022-11-11 12:59:52 +00:00
q
qbox
qcl
qiskit-aer	*/*: chase the upgrade of devel/libfmt to 9.1.0	2022-12-19 10:31:34 +01:00
qmcpack
quantum-espresso
quantum-espresso-pseudopotentials
quantum-jet
qwalk
R-cran-bayesm	science/R-cran-bayesm: Update to 3.1.5	2022-12-22 22:09:10 +08:00
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
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
smoldyn
sparta
spglib	science/spglib: Correct workaround for missing -lomp for fortran	2022-11-26 21:49:19 -08:00
spheral	science/spheral: New port: Environment for hydrodynamical & gravitational numerical simulations	2022-12-10 16:44:11 -08:00
step	KDE: Update KDE Gear to 22.12	2022-12-10 08:46:22 +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
vipster
vmd	science/vmd: Update to 1.9.4a57	2022-11-15 18:36:16 -06:00
voro++
votca
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
Makefile	science/openmodelica: New port: Modelica-based modeling and simulation environment	2022-12-12 12:41:12 -08:00