freebsd-ports/science
Thierry Thomas 49e535a126 Adding jupyter-jsmol, a JSmol viewer widget for Jupyter Notebooks and
JupyterLab, to bue used by SageMath 9.3.
2020-12-22 11:48:07 +00:00
..
2d-rewriter
abinit
afni science/afni: update to 20.3.03 2020-12-10 14:21:22 +00:00
agrum science/agrum: Update 0.18.1 -> 0.18.2 2020-11-13 07:14:41 +00:00
aircraft-datcom
ALPSCore - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
antioch - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
apbs science/apbs: fix build on current 2020-08-27 18:37:59 +00:00
atompaw
avogadro2
avogadrolibs - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
axom New port: science/axom: Infrastructure for development of multi-physics applications and tools 2020-10-09 03:42:21 +00:00
bagel
bddsolve
berkeleygw Mark BROKEN on i386 and GCC 10: 2020-11-17 21:37:49 +00:00
bodr
buddy
cdcl science/cdcl: fix build on recent current 2020-08-28 16:09:15 +00:00
cdf
cdk
cdo graphics/proj: Update to 7.2.0 2020-11-18 05:27:28 +00:00
cgnslib Upgrade to v4.1.2 and add a test target. 2020-09-13 09:26:10 +00:00
cgribex
checkmol - Bump PORTREVISION. fpc was updated to 3.2.0 2020-11-25 03:13:18 +00:00
chemical-mime-data Prefer graphics/ligvrsvg2-rust over graphics/librsvg2 2020-11-09 17:08:12 +00:00
chemps2
chemtool science/chemtool: Update dependency transfig:print/transfig -> fig2dev:print/fig2dev 2020-10-18 17:53:03 +00:00
chemtool-devel science/chemtool-devel: replace transfig with fig2dev 2020-10-18 20:10:56 +00:00
chrono - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
clhep
clipper
code_saturne Update PyQt5 to 5.15.2, sip to 5.5.0, py-qtbuilder to 1.6.0 and py-qt5-sip to 12.8.1 2020-12-15 17:56:00 +00:00
colt
conduit science/conduit: Update 0.5.1 -> 0.6.0 2020-11-03 19:57:57 +00:00
coordgenlibs science/coordgenlibs: Update 1.4.1 -> 1.4.2 2020-10-14 08:11:18 +00:00
cp2k
cp2k-data
crf++ Clean up some things 2020-09-24 08:50:25 +00:00
dalton science/dalton: Update 2018.2 -> 2020.0 2020-11-16 02:14:25 +00:00
dcl
devisor
dftbplus Add workaround for new failure with Fortran GCC 10 frontend: 2020-11-17 22:28:16 +00:00
dkh
dlib-cpp science/dlib-cpp: Build shared library instead of static one. 2020-11-03 08:03:19 +00:00
dlpoly-classic Mark as BROKEN with GCC 10: 2020-11-17 21:34:30 +00:00
drawxtl
dvc Fix build post-r547793. 2020-09-09 15:24:00 +00:00
eccodes Update to 2.19.1 2020-11-21 09:18:19 +00:00
elk Add workaround for new failure with Fortran GCC 10 frontend: 2020-11-17 22:32:32 +00:00
elmerfem - Upgrade cad/opencascade to 7.5.0 2020-11-14 17:25:20 +00:00
epte science/epte: fix build on recent current 2020-08-28 20:59:08 +00:00
erd
ergo
erkale math/armadillo: Update to 10.1.1 2020-10-29 22:30:44 +00:00
erkale-pseudopotentials
fastcap science/fastcap: fix build on recent current 2020-08-28 22:00:33 +00:00
fasthenry science/fasthenry: fix build on recent current 2020-08-28 22:02:42 +00:00
fastjet
fisicalab Add education virtual category 2020-11-20 07:16:06 +00:00
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 - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
gpaw-setups
gramps Prefer graphics/ligvrsvg2-rust over graphics/librsvg2 2020-11-09 17:08:12 +00:00
grib_api
gromacs science/gromacs: Turn the option FLOAT to OFF by default 2020-12-18 05:40:05 +00:00
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf Add workaround for Fortran frontend to GCC 10. 2020-11-17 22:21:03 +00:00
hdf5
hdf5-18
healpix
hepmc3 science/hepmc3: Update 3.2.2 -> 3.2.3 2020-12-17 04:23:50 +00:00
highfive
hypre science/hypre: Update 2.19.0 -> 2.20.0 2020-09-25 19:01:00 +00:00
iboview
InsightToolkit - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
isaac-cfd
jdftx
jmol science/jmol: Update 14.31.18 -> 14.31.20 2020-12-20 06:30:17 +00:00
jstrack
kalzium Update KDE Applications to 20.12 2020-12-11 19:18:03 +00:00
kim-api science/kim-api: Update 2.2.0 -> 2.2.1 2020-12-14 05:31:14 +00:00
kst2 Force to rebuild after math/matio update 2020-09-26 16:30:14 +00:00
lammps science/lammps: The KIM option isn't broken any more after the latest update of science/kim-api 2020-12-14 07:52:51 +00:00
lamprop
latte Do not include bsd.port.mk twice 2020-12-08 09:30:36 +00:00
libaec Use the release tag instead of commit hash 2020-10-10 07:44:37 +00:00
libccp4 Add education virtual category 2020-11-20 07:16:06 +00:00
libcint science/libcint: Update 4.0.6 -> 4.0.7 2020-12-20 01:00:36 +00:00
libctl science/libctl: Update to 4.5.0 2020-10-31 15:59:08 +00:00
libefp
libgeodecomp Modify cad/scotch to support int64. 2020-12-09 19:29:19 +00:00
libghemical
libgridxc science/libgridxc: Unbreak build by disabling the option that breaks 2020-10-13 05:55:28 +00:00
libint
libint2
libkml
liblinear Update to 2.42 2020-11-08 17:11:37 +00:00
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 science/maeparser: Update 1.2.3 -> 1.2.4 2020-10-14 08:15:26 +00:00
massxpert
mbdyn Add workaround for new failure with Fortran GCC 10 frontend: 2020-11-17 22:36:02 +00:00
mcstas
mcstas-comps
mcxtrace
mcxtrace-comps
mdynamix Add workaround for new failure with Fortran GCC 10 frontend: 2020-11-17 22:37:32 +00:00
medit
metaphysicl
minc2
mmdb2
mmtf-cpp
mol2ps - Bump PORTREVISION. fpc was updated to 3.2.0 2020-11-25 03:13:18 +00:00
molgif
molscript
molsketch
mpb science/mpb: Update to 1.11.1 2020-10-31 16:00:18 +00:00
mpqc
msms
multiwfn
namd
nest science/nest: Update 2.20.0 -> 2.20.1 2020-12-06 09:22:22 +00:00
netcdf
netcdf-cxx
netcdf-fortran
nifticlib
nwchem science/nwchem: Update 7.0.1 -> 7.0.2 2020-10-15 06:41:02 +00:00
nwchem-data science/nwchem-data: Update 7.0.1 -> 7.0.2 2020-10-14 08:19:21 +00:00
octopus Add workaround for new failure with Fortran GCC 10 frontend: 2020-11-17 22:39:17 +00:00
openbabel - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
openkim
openkim-models
opensim-core
opensph - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
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 - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
paje
pcmsolver science/pcmsolver: Update 1.2.3 -> 1.3.0 2020-12-03 10:49:31 +00:00
PETSc Rescue PETSc by upgrading to 3.14.1, and thus switch to Python 3.x. 2020-12-16 16:19:30 +00:00
plumed science/plumed: Update 2.6.1 -> 2.6.2 2020-10-28 01:33:14 +00:00
pnetcdf
pulseview
py-abipy
py-asdf Move devel/py-semantic_version to devel/py-semantic-version 2020-12-05 13:47:27 +00:00
py-ase science/py-ase: Update 3.20.0 -> 3.20.1 2020-09-05 06:05:19 +00:00
py-avogadrolibs - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
py-cdo
py-chainer science/py-chainer: Update 7.2.0 -> 7.7.0 2020-11-14 17:05:49 +00:00
py-chainer-chemistry
py-chempy science/py-chempy: Update 0.7.12 -> 0.8.1 2020-12-06 22:32:36 +00:00
py-coards
py-DendroPy
py-dlib science/py-dlib: Fix plist. 2020-08-29 18:15:01 +00:00
py-eccodes Add py-eccodes 1.0.0 (copied from py-eccodes-python) 2020-12-19 20:04:12 +00:00
py-eccodes-python Mark DEPRECATED and set EXPIRATION_DATE to 2020-12-31 2020-12-19 20:10:40 +00:00
py-geolinks
py-geomet Update to 0.2.1.post1 2020-11-15 18:05:52 +00:00
py-geometer
py-geometric Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-gpaw science/py-gpaw: Update 1.5.2 -> 20.10.0 2020-11-14 08:17:55 +00:00
py-GPy
py-GPyOpt
py-gsd science/py-gsd: Update 2.3.0 -> 2.4.0 2020-11-15 19:36:20 +00:00
py-h5json
py-h5py
py-jupyter_jsmol Adding jupyter-jsmol, a JSmol viewer widget for Jupyter Notebooks and 2020-12-22 11:48:07 +00:00
py-kim-query science/py-kim-query: Update 1.0.0 -> 1.1.0 2020-08-28 19:44:09 +00:00
py-kinematics Update to 0.1.7 2020-11-15 18:05:57 +00:00
py-kliff
py-liac-arff Update to 2.5.0 2020-09-05 10:10:15 +00:00
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 2.19.1 -> 2.19.3 2020-12-21 08:42:27 +00:00
py-netCDF4
py-netcdf-flattener Add py-netcdf-flattener 1.2.0 2020-12-10 21:28:22 +00:00
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 2.8.0 -> 2.8.1 2020-10-12 04:37:49 +00:00
py-pupynere
py-pyaixi Update to 1.0.4.post1 2020-11-15 18:06:01 +00:00
py-pycsw Update to 2.6.0 2020-12-19 20:10:44 +00:00
py-pydicom - Update to 2.1.2 2020-12-12 00:54:58 +00:00
py-PyFR
py-pygeodesy Update to 20.12.10 2020-12-19 22:14:11 +00:00
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 Update to 1.14.4.post2 2020-12-19 20:10:53 +00:00
py-pyteomics Update to 4.4.0 2020-11-21 09:20:52 +00:00
py-qcelemental science/py-qcelemental: Update 0.16.0 -> 0.17.0 2020-10-04 19:57:16 +00:00
py-qcengine science/py-qcengine: Update 0.16.0 -> 0.17.0 2020-10-04 19:57:59 +00:00
py-qspin Add education virtual category 2020-11-20 07:16:06 +00:00
py-quantities
py-rmf
py-rmsd science/py-rmsd: Update 1.3.2 -> 1.4 2020-11-11 06:00:50 +00:00
py-ruffus
py-scikit-fuzzy Unbreak bulk -a 2020-09-19 14:15:42 +00:00
py-scikit-learn
py-scikit-optimize Update to 0.8.1 2020-09-06 15:37:09 +00:00
py-scikit-sparse
py-scimath Unbreak bulk -a 2020-10-20 07:02:56 +00:00
py-scipy
py-scoria
py-segyio science/py-segyio: Update 1.9.4 -> 1.9.5 2020-12-17 20:36:00 +00:00
py-SimpleSpectral
py-spglib
py-tensorflow devel/icu: update to 68.1 2020-11-03 00:56:26 +00:00
py-veusz Update PyQt5 to 5.15.2, sip to 5.5.0, py-qtbuilder to 1.6.0 and py-qt5-sip to 12.8.1 2020-12-15 17:56:00 +00:00
pybrain
pynn
qbox science/qbox: Update 1.72.2 -> 1.72.3 2020-12-15 06:01:05 +00:00
qcl
qiskit-aer devel/libfmt: Update to 7.0.3 2020-09-07 21:19:41 +00:00
qmcpack science/qmcpack: Update 3.9.2 -> 3.10.0 2020-11-13 05:10:06 +00:00
quantum-espresso science/quantum-espresso: Update 6.6 -> 6.7.0 2020-12-03 20:51:28 +00:00
quantum-espresso-pseudopotentials
qwalk
R-cran-AMORE
R-cran-bayesm
R-cran-cmprsk
R-cran-DCluster
R-cran-e1071 - Update to 1.7-4 2020-10-17 14:19:29 +00:00
R-cran-eco
R-cran-Epi - Update to 2.42 2020-11-10 11:37:03 +00:00
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 science/rdkit: Update 2018.09.3 -> 2020.09.3 2020-12-13 22:00:58 +00:00
rmf
rubygem-ai4r
rubygem-cdo
rubygem-rgeo Update to 2.2.0 2020-11-21 09:43:54 +00:00
rubygem-rgeo-geojson
rubygem-rgeo-proj4 graphics/proj: Update to 7.2.0 2020-11-18 05:27:28 +00:00
rubygem-rgeo-shapefile Update to 3.0.0 2020-09-05 21:35:09 +00:00
rubygem-ruby-dcl
rubygem-ruby-netcdf
scidavis Update Qt/PySide2 to 5.15.2 / PyQt to 5.15.1 / SIP to 5.4.0 2020-12-08 20:03:07 +00:00
segyio science/segyio: Update 1.9.4 -> 1.9.5 2020-12-17 20:35:23 +00:00
siesta Add workaround for new failure with Fortran GCC 10 frontend: 2020-11-17 22:40:45 +00:00
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 science/smoldyn: Update 2.62 -> 2.63 2020-12-20 06:45:09 +00:00
sparta
spglib
step - Upgrade math/eigen3 to 3.3.8; 2020-12-12 17:04:37 +00:00
svmlight
szip
teem
tfel Upgrade to 3.4.0 2020-12-13 14:48:11 +00:00
tfel-edf Fix for GCC_DEFAULT=10. 2020-12-21 16:37:23 +00:00
tinker science/tinker: Update 8.8.1 -> 8.8.3 2020-11-10 22:54:52 +00:00
udunits
v_sim
vipster science/vipster: Update 1.18b.20200514 -> 1.19.1b-14 2020-12-22 11:06:15 +00:00
vmd
voro++
votca science/votca: Update 1.6.2 -> 1.6.3 2020-12-18 05:40:58 +00:00
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 science/yoda: Update 1.8.4 -> 1.8.5 2020-12-06 20:30:15 +00:00
Makefile Adding jupyter-jsmol, a JSmol viewer widget for Jupyter Notebooks and 2020-12-22 11:48:07 +00:00