..
2d-rewriter
abinit
afni
science/afni: update to 21.3.17
2022-01-06 21:34:20 +01:00
agrum
aircraft-datcom
ALPSCore
antioch
science/metaphysicl: Update 1.3.1 -> 1.3.2
2021-11-25 13:46:02 -08:00
apbs
ascent
atompaw
avogadro2
avogadrolibs
axom
science/axom: mark BROKEN on powerpc
2021-12-23 22:25:51 +00:00
bagel
bddsolve
berkeleygw
bodr
buddy
cantera
science/cantera: For OCTAVE option, fix .mex file path
2021-12-22 01:24:51 -08:00
cdcl
cdf
science/cdf: Allow build for ARM.
2022-01-10 13:32:06 -06:00
cdk
cdo
science/cdo: Update to 2.0.0
2021-11-06 07:53:48 +08:00
cgnslib
cgribex
checkmol
chemical-mime-data
INSTALLS_ICONS: retire the macro and rework the related dependencies
2021-10-10 21:44:42 +02:00
chemps2
chemtool
chemtool-devel
chrono
clhep
clipper
code_saturne
science/PETSc: Update 3.14.1 -> 3.16.3
2022-01-07 00:34:46 -08:00
colt
conduit
science/conduit: Update 0.7.2 -> 0.8.0
2021-12-28 09:09:40 -08:00
coordgenlibs
cp2k
cp2k-data
crf++
csvtk
science/csvtk: Update to 0.24.0
2021-11-30 18:00:16 -06:00
dakota
science/dakota: fix build on non-x86
2021-10-22 11:42:25 +00:00
dalton
dcl
devisor
dftbplus
dftd4
science/dftd4: New port: Atomic-charge dependent london dispersion correction computation
2022-01-04 12:23:11 -08:00
dkh
dlib-cpp
drawxtl
dvc
dynare
science/dynare: Correct the command recommended in pkg-message
2022-01-11 00:28:44 -08:00
eccodes
elk
elmerfem
math/vtk9: Update 9.0.3 -> 9.1.0
2021-11-22 01:40:34 -08:00
epte
erd
ergo
Fix CONFLICTS entries of multiple ports
2022-01-10 16:15:39 +01:00
erkale
erkale-pseudopotentials
fastcap
fasthenry
fastjet
fisicalab
fleur
science/fleur: Fix typo in USES
2022-01-05 11:55:01 -08:00
frontistr
fsom
fvcom
fvcom-mpi
*: Clean up some things
2021-10-12 17:01:38 +02:00
gabedit
INSTALLS_ICONS: retire the macro and rework the related dependencies
2021-10-10 21:44:42 +02:00
gamess-us
gchemutils
INSTALLS_ICONS: retire the macro and rework the related dependencies
2021-10-10 21:44:42 +02:00
gdma
getdp
ghemical
ghmm
Fix CONFLICTS entries of multiple ports
2022-01-10 16:15:39 +01:00
gnudatalanguage
science/gnudatalanguage: prepare to proj8
2021-11-18 06:17:26 +01:00
gpaw-setups
gramps
INSTALLS_ICONS: retire the macro and rework the related dependencies
2021-10-10 21:44:42 +02:00
grib_api
gromacs
science/gromacs: Update 2021.3 -> 2021.4
2021-11-08 01:05:21 -08:00
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf
hdf5
science/hdf5: Add CPE information
2021-10-14 12:26:24 +02:00
hdf5-18
science/hdf5-18: Add CPE information
2021-10-14 12:26:39 +02:00
healpix
helfem
hepmc3
highfive
hypre
science/hypre: fix build on powerpc64*
2021-11-07 12:15:02 +00:00
iboview
InsightToolkit
isaac-cfd
jdftx
jmol
science/jmol: Update 14.32.8 -> 14.32.10
2022-01-08 22:04:31 -08:00
jstrack
kalzium
KDE: Update KDE Gear to 21.12.1
2022-01-06 16:38:38 +01:00
kim-api
kst2
lammps
lamprop
latte
libaec
libccp4
libcint
science/libcint: Update 4.4.6 -> 5.1.0
2021-12-26 12:21:24 -08:00
libctl
libecpint
science/libecpint: Update 1.0.6 -> 1.0.7
2021-12-14 14:41:53 -08:00
libefp
libgeodecomp
libghemical
libgridxc
libint
libint2
science/libint2: Update 2.6.0 -> 2.7.1
2021-11-06 16:56:36 -07:00
libkml
liblinear
libmsym
liboglappth
*: fix tab vs. space issues, and comments according to the guide.
2021-10-16 11:51:39 +02:00
libquantum
libssm
libsvm
*: Clean up some things
2021-10-12 17:01:38 +02:00
libsvm-python
libvdwxc
libxc
science/libxc: update to 5.1.7
2022-01-05 16:50:13 -06:00
liggghts
linux-zotero
science/linux-zotero: Clean up
2021-11-08 00:33:54 +01:00
luscus
madness
maeparser
massxpert
mbdyn
science/mbdyn: fix build on powerpc64*
2021-11-08 15:52:33 +00:00
mcstas
mcstas-comps
mctc-lib
science/mctc-lib: New port: Computation tool chain library to work with molecular structure data
2022-01-04 11:36:13 -08:00
mcxtrace
mcxtrace-comps
mdynamix
medit
metaphysicl
science/metaphysicl: Update 1.3.2 -> 1.3.3
2021-12-13 09:19:09 -08:00
minc2
*/*: Remove redundant '-[0-9]*' from CONFLICTS
2021-10-29 11:50:18 +02:00
mmdb2
mmtf-cpp
mol2ps
molgif
molscript
molsketch
mpb
mpqc
science/mpqc: regen plist after doxygen update (+)
2021-12-16 11:49:52 +03:00
msms
Style: improve ONLY_FOR_ARCHS_REASON (grammar, markup, etc.)
2021-10-25 12:58:29 +00:00
mstore
science/mstore: New port: Molecular structure store for testing
2022-01-04 11:54:03 -08:00
multicharge
science/multicharge: New port: Electronegativity equilibration model for atomic partial charges
2022-01-04 12:26:13 -08:00
multiwfn
namd
Style: improve ONLY_FOR_ARCHS_REASON (grammar, markup, etc.)
2021-10-25 12:58:29 +00:00
nest
science/nest: Update 2.20.1 -> 3.1
2021-10-20 23:23:16 -07:00
netcdf
netcdf-cxx
netcdf-fortran
nifticlib
*/*: Remove redundant '-[0-9]*' from CONFLICTS
2021-10-29 11:50:18 +02:00
nwchem
science/nwchem: Update 7.0.2.20211109 -> 7.0.2.20211110
2021-11-12 11:02:09 -08:00
nwchem-data
octopus
science/octopus: Backport the fix for testsuite
2022-01-06 13:53:38 -08:00
openbabel
*/*: Remove redundant '-*' from CONFLICTS definitions
2021-11-25 22:40:11 +01:00
openems
science/openems: Only works on amd64 and powerpc64.
2021-11-14 16:31:37 +01:00
openkim
openkim-models
openmc
science/openmc: Unbreak LIBMESH option by switching to mpich
2021-10-12 13:52:17 -07:00
openmx
opensim-core
opensph
devel/onetbb: Update to 2021.5.0
2022-01-05 17:43:54 +01:00
opsin
orthanc
devel/jsoncpp: Update to 1.9.4 -> 1.9.5
2021-11-05 12:09:19 -07:00
orthanc-dicomweb
devel/jsoncpp: Update to 1.9.4 -> 1.9.5
2021-11-05 12:09:19 -07:00
orthanc-mysql
devel/jsoncpp: Update to 1.9.4 -> 1.9.5
2021-11-05 12:09:19 -07:00
orthanc-postgresql
devel/jsoncpp: Update to 1.9.4 -> 1.9.5
2021-11-05 12:09:19 -07:00
orthanc-webviewer
devel/jsoncpp: Update to 1.9.4 -> 1.9.5
2021-11-05 12:09:19 -07:00
p5-Algorithm-SVMLight
p5-Chemistry-3DBuilder
p5-Chemistry-Bond-Find
p5-Chemistry-Canonicalize
p5-Chemistry-Elements
science/p5-Chemistry-Elements: Update to 1.075
2021-11-06 03:15:55 +08:00
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
science/p5-Geo-WebService-Elevation-USGS: Update to 0.120
2021-11-06 03:15:56 +08:00
p5-Mcstas-Tools
p5-PerlMol
p5-Physics-Unit
packmol
pagmo2
devel/onetbb: Update to 2021.5.0
2022-01-05 17:43:54 +01:00
paje
pcmsolver
PETSc
science/PETSc: Update 3.14.1 -> 3.16.3
2022-01-07 00:34:46 -08:00
phonopy
plumed
science/plumed: Add missing dependencies and binary alias which fixes most tests.
2022-01-04 17:31:24 -08:00
pnetcdf
pulseview
INSTALLS_ICONS: retire the macro and rework the related dependencies
2021-10-10 21:44:42 +02:00
py-abipy
py-access
py-asdf
science/py-asdf: Update USES=python
2021-11-06 03:14:23 +08:00
py-ase
science/py-ase: Update 3.22.0 -> 3.22.1
2022-01-03 23:11:21 -08:00
py-avogadrolibs
py-cdo
py-chainer
py-chainer-chemistry
py-chempy
py-cirq-aqt
py-cirq-core
science/py-cirq-core: Update 0.12.0 -> 0.13.1
2021-11-14 16:27:22 -08:00
py-cirq-google
science/py-cirq-google: Update 0.12.0 -> 0.13.0
2021-10-17 08:49:41 -07:00
py-cirq-ionq
science/py-cirq-ionq: Update 0.12.0 -> 0.13.1
2021-10-31 10:23:17 -07:00
py-cirq-pasqal
science/py-cirq-pasqal: Update 0.13.0 -> 0.13.1
2021-10-31 10:23:18 -07:00
py-coards
py-DendroPy
py-dipy
py-dlib
py-eccodes
science/py-eccodes: Add NO_ARCH
2021-11-02 05:28:49 +08:00
py-esda
py-geolinks
py-geomet
py-geometer
science/py-geometer: Fix 89c2dfb9ad
2021-11-01 21:41:50 +08:00
py-geometric
py-gpaw
science/py-gpaw: Fix missing MPI symbol; Add missing gpaw-setups dependency
2022-01-03 23:37:50 -08:00
py-GPy
py-GPyOpt
py-gsd
science/py-gsd: Update 2.4.2 -> 2.5.0
2021-10-14 13:08:01 -07:00
py-h5json
py-h5py
science/py-h5py: Update to 3.6.0
2021-11-22 05:15:52 +08:00
py-hiphive
py-inequality
science/py-inequality: Update USES=python
2021-11-06 03:14:23 +08:00
py-jupyter_jsmol
py-kim-query
py-kinematics
science/py-kinematics: Update USES=python
2021-11-06 03:14:24 +08:00
py-kliff
science/py-kliff: Update 0.3.0 -> 0.3.1
2022-01-03 14:26:43 -08:00
py-liac-arff
py-libpysal
py-lifelines
py-MDAnalysis
py-MDAnalysisTests
py-mdp
py-mmtf-python
py-molmod
py-moltemplate
science/py-moltemplate: Update 2.19.12 -> 2.19.14
2021-12-29 21:15:50 -08:00
py-netCDF4
science/py-netCDF4: Update version 1.3.1=>1.5.7
2021-10-10 10:32:52 -05:00
py-netcdf-flattener
py-nibabel
py-nilearn
py-obspy
py-oddt
py-OpenFermion
science/py-OpenFermion: Update 1.2.0 -> 1.3.0
2021-12-23 17:54:58 -08:00
py-OpenMC
science/py-OpenMC: New port: Monte Carlo neutron and photon transport simulation code (Python)
2021-10-11 08:51:36 -07:00
py-openpiv
science/py-openpiv: update to 0.23.8
2021-11-06 00:17:44 +03:00
py-paida
py-paramz
py-phono3py
py-phonopy
py-PubChemPy
py-pupynere
science/py-pupynere: Update USES=python
2021-11-06 03:14:24 +08:00
py-pyaixi
py-pyberny
science/py-pyberny: New port: Optimizer of molecular geometries with respect to the total energy
2021-10-16 16:56:19 -07:00
py-pycsw
science/py-pycsw: Update to 2.6.1
2021-10-25 23:57:35 +08:00
py-pydicom
science/py-pydicom: Update to 2.2.2
2021-10-12 14:58:13 +08:00
py-PyFR
science/py-PyFR: Update 1.12.2 -> 1.12.3
2021-11-21 16:50:13 -08:00
py-pygeodesy
py-pygeometa
py-pygmo2
py-pyked
devel/py-pint: Update to 0.18
2021-11-01 21:41:43 +08:00
py-pymatgen
science/py-pymatgen: Update 2022.0.14 -> 2022.0.15
2021-10-22 08:58:25 -07:00
py-pymol
py-PyNE
science/py-PyNE: Add the moab dependency; Install the nuc_data.h5 file; Build in parallel
2021-10-10 11:49:56 -07:00
py-pyosf
py-pysal
py-pyscf
science/libcint: Update 4.4.6 -> 5.1.0
2021-12-26 12:21:24 -08:00
py-pyteomics
py-qcelemental
science/py-qcelemental: Update 0.23.0 -> 0.24.0
2021-11-19 13:33:17 -08:00
py-qcengine
science/py-qcengine: Update 0.20.1 -> 0.21.0
2021-11-26 21:26:07 -08:00
py-qspin
py-quantities
py-rmf
science/{,py-}rmf: Update 1.3 -> 1.3.1
2021-12-29 21:15:51 -08:00
py-rmsd
py-ruffus
py-scikit-fuzzy
py-scikit-learn
science/py-scikit-learn: Update to 1.0.2
2021-12-26 12:31:19 +08:00
py-scikit-optimize
science/py-scikit-optimize: Update to 0.9.0
2021-10-25 23:57:36 +08:00
py-scikit-sparse
py-scimath
py-scipy
science/py-scipy: Update to 1.7.1
2021-11-08 11:08:59 +08:00
py-scoria
py-segregation
py-segyio
science/{,py-}segyio: Update 1.9.7 -> 1.9.8
2021-11-06 16:56:38 -07:00
py-SimpleSpectral
py-skrebate
science/py-skrebate: Update USES=python
2021-11-06 03:14:24 +08:00
py-spaghetti
py-spglib
py-tensorflow
devel/grpc: Update to 1.42.0
2021-12-22 02:46:21 +08:00
py-tobler
py-veusz
pybrain
pynn
science/pynn: Update to 0.10.0
2021-12-17 16:18:50 +08:00
qbox
qcl
qiskit-aer
qmcpack
science/qmcpack: Update 3.11.0 -> 3.12.0-217
2022-01-07 16:22:51 -08:00
quantum-espresso
quantum-espresso-pseudopotentials
qwalk
R-cran-AMORE
R-cran-bayesm
R-cran-cmprsk
science/R-cran-cmprsk: Update to 2.2-11
2022-01-09 06:54:19 +00:00
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-snow
science/R-cran-snow: Update to 0.4-4
2021-10-28 10:20:03 +00:00
R-cran-som
R-cran-udunits2
science/R-cran-udunits2: Update to 0.13.2
2022-01-09 08:25:52 +00:00
rdkit
rmf
science/{,py-}rmf: Update 1.3 -> 1.3.1
2021-12-29 21:15:51 -08:00
rubygem-ai4r
rubygem-cdo
rubygem-rgeo
science/rubygem-rgeo: Update to 2.3.1
2021-12-22 02:54:32 +08:00
rubygem-rgeo-geojson
rubygem-rgeo-proj4
science/rubygem-rgeo-proj4: Update to 3.1.1
2021-11-22 02:24:31 +08:00
rubygem-rgeo-shapefile
rubygem-ruby-dcl
rubygem-ruby-netcdf
scidavis
segyio
science/{,py-}segyio: Update 1.9.7 -> 1.9.8
2021-11-06 16:56:38 -07:00
shelxle
science/shelxle: Update 1.0.1348 -> 1.0.1352
2021-12-29 21:15:51 -08:00
siconos
siesta
sigrok-cli
INSTALLS_ICONS: retire the macro and rework the related dependencies
2021-10-10 21:44:42 +02:00
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo
Fix CONFLICTS entries of multiple ports
2022-01-10 16:15:39 +01:00
simbody
simgrid
simint
simlib
simsmith
smoldyn
science/smoldyn: Update 2.66 -> 2.67
2021-11-06 16:56:37 -07:00
sparta
science/sparta: Update 20Oct2021 -> 7Jan2022
2022-01-08 01:09:25 -08:00
spglib
step
KDE: Update KDE Gear to 21.12.1
2022-01-06 16:38:38 +01:00
svmlight
science/svmlight: fix build on 13.0+
2021-10-29 18:01:10 +00:00
szip
teem
tfel
tfel-edf
thermofun
tinker
science/tinker: Update 8.9.5 -> 8.10.1
2021-10-11 08:51:36 -07:00
udunits
v_sim
INSTALLS_ICONS: retire the macro and rework the related dependencies
2021-10-10 21:44:42 +02:00
vipster
vmd
voro++
votca
wannier90
wwplot
wxmacmolplt
xcfun
xcrysden
framework: Add new USES 'magick' for graphics/ImageMagick*
2021-12-11 14:50:53 +01:00
xdrawchem
xtb
science/xtb: update to 6.4.1
2021-11-27 11:49:53 -06:00
yoda
Makefile
science/fleur: Re-add port: FLAPW code for atomic computations in quantum chemistry and physics
2022-01-05 01:40:35 -08:00
7476f16950