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6130 Commits

Author SHA1 Message Date
Yuri Victorovich
6620ed6d90 science/py-qcelemental: Update 0.20.0 -> 0.21.0 
Reported by:	portscout
 2021-08-05 09:51:45 -07:00
Yuri Victorovich
fbdc0abdcc science/py-kliff: Update 0.2.2 -> 0.3.0 
Reported by:	portscout
 2021-08-04 15:43:00 -07:00
Yuri Victorovich
15d0a6a399 science/pagmo2: Update 2.17.0 -> 2.18.0 2021-08-03 15:10:24 -07:00
Yuri Victorovich
09e724b769 science/agrum: Update 0.20.3 -> 0.21.0 2021-08-03 15:10:24 -07:00
Yuri Victorovich
9129218139 science/shelxle: Update 1.0.1290 -> 1.0.1293 
Reported by:	portscout
 2021-07-31 21:31:34 -07:00
Jose Alonso Cardenas Marquez
20948f4616 games/hedgewars: lang/nbc: science/checkmol: science/mol2ps: bump PORTREVISION 
* lang/fpc was updated to 3.2.2
 2021-07-31 21:03:46 -05:00
TAKATSU Tomonari
9f6beb6468 science/R-cran-e1071: Update to 1.7-8 2021-07-30 21:13:47 +09:00
Yuri Victorovich
3ab9c7e065 science/plumed: Update 2.7.1 -> 2.7.2 
Reported by:	portscout
 2021-07-28 10:13:47 -07:00
Yuri Victorovich
8441c7a8af science/jmol: Update 14.31.47 -> 14.31.48 
Reported by:	portscout
 2021-07-28 10:13:45 -07:00
Yuri Victorovich
f792513def science/py-cirq-{aqt,ionq,pasqal}: New ports: Modules for the Cirq quantum computing framework 2021-07-28 10:13:45 -07:00
Fernando Apesteguía
d9c0a9f428 science/gramps: update to 5.1.4 
ChangeLog: https://gramps-project.org/blog/2021/07/gramps-5-1-4-released/

Reported by:	portscout
 2021-07-28 11:48:02 +02:00
Yuri Victorovich
203714eab6 science/py-PyFR: Update 1.12.1 -> 1.12.2 
Reported by:	portscout
 2021-07-27 12:19:04 -07:00
Yuri Victorovich
643e63ef1f science/jmol: Update 14.31.46 -> 14.31.47 
Reported by:	portscout
 2021-07-27 12:19:04 -07:00
Yuri Victorovich
a4bd22e7d3 science/py-OpenFermion: Update 0.11.0 -> 1.1.0 
Reported by:	portscout
 2021-07-27 06:16:51 -07:00
Yuri Victorovich
e74986e25e science/py-PubChemPy: New port: Simple Python wrapper around the PubChem PUG REST API 2021-07-27 06:16:51 -07:00
Yuri Victorovich
e1f12f98d3 science/py-{core,google}: New ports: Writing, manipulating, and optimizing quantum circuits and running them against quantum computers and simulators 2021-07-26 15:36:19 -07:00
Yuri Victorovich
f0def4f5f2 science/shelxle: Update 1.0.1278 -> 1.0.1290 
Reported by:	portscout
 2021-07-26 10:21:46 -07:00
Po-Chuan Hsieh
5153b4f5b1 science/py-cdo: Update to 1.5.5 
Changes:	https://github.com/Try2Code/cdo-bindings/blob/master/README.md#changelog
		https://github.com/Try2Code/cdo-bindings/commits/master/python
 2021-07-25 04:21:58 +08:00
Po-Chuan Hsieh
b9f9389d5a science/eccodes: Update to 2.22.1 
Changes:	https://confluence.ecmwf.int/display/ECC/Latest+news
 2021-07-25 04:20:58 +08:00
Tobias C. Berner
8835d0281b science/pulseview: prepare for glib-2.68.3 
Add upstream fix.

Obtained from:	ed643f0b4a
PR:		256200
 2021-07-24 10:16:42 +02:00
Yuri Victorovich
aa8953f2df science/libcint: Update 4.4.2 -> 4.4.3 
Reported by:	portscout
 2021-07-23 11:00:11 -07:00
Yuri Victorovich
fcfb375a79 science/jmol: Update 14.31.45 -> 14.31.46 
Reported by:	portscout
 2021-07-23 11:00:10 -07:00
Yuri Victorovich
9f7be688fa science/jmol: Update 14.31.44 -> 14.31.45 
Reported by:	portscout
 2021-07-22 21:54:19 -07:00
Po-Chuan Hsieh
6582405606 science/py-tensorflow: Fix build with protobuf 3.17.3 2021-07-22 02:12:13 +08:00
Po-Chuan Hsieh
f4acead636 devel/protobuf: Update to 3.17.3 
- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://github.com/protocolbuffers/protobuf/releases
PR:		257026
Exp-run by:	antoine
 2021-07-22 02:11:52 +08:00
Po-Chuan Hsieh
287cd8ad71 devel/libfmt: Update to 8.0.0 
- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://github.com/fmtlib/fmt/releases
PR:		257026
Exp-run by:	antoine
 2021-07-22 02:11:51 +08:00
Fernando Apesteguía
2bee1caa54 science/afni: update to 21.2.01 2021-07-20 19:35:08 +02:00
Yuri Victorovich
08fcb6c859 science/votca: Update 2021 -> 2021.1 
Reported by:	portscout
 2021-07-18 17:49:20 -07:00
Matthias Andree
3cda93bdf6 *: bump PORTREVISION after math/Imath update 2021-07-17 11:17:59 +02:00
Po-Chuan Hsieh
e2b8c544c8 science/p5-Chemistry-Mol: Sort PLIST 2021-07-15 00:10:34 +08:00
Neel Chauhan
120163f680 science/afni: Update to 21.2.00 2021-07-13 21:22:30 -07:00
Yuri Victorovich
6b4a86d79e science/opensph: Update 0.3.5 -> 0.3.6 2021-07-13 20:55:48 -07:00
Yuri Victorovich
aab93eaba6 science/jmol: Update 14.31.42 -> 14.31.44 2021-07-11 23:47:16 -07:00
Yuri Victorovich
e4e949c92d science/rdkit: Update 2021.03.3 -> 2021.03.4 
Reported by:	portscout
 2021-07-11 19:10:30 -07:00
Tobias C. Berner
19ce6c4021 */*: Update KDE Gear to 21.04.3 
Over 120 individual programs plus dozens of programmer libraries and
feature plugins are released simultaneously as part of KDE Gear.

Today they all get new bugfix source releases.

Full changelog:
	https://kde.org/announcements/changelogs/gear/21.04.3/
 2021-07-10 01:34:31 +02:00
Yuri Victorovich
7e368cd28b science/hepmc3: Update 3.2.3 -> 3.2.4 
Reported by:	portscout
 2021-07-09 10:01:32 -07:00
Yuri Victorovich
15eff10056 science/libcint: Update 4.4.1 -> 4.4.2 
Reported by:	portscout
 2021-07-09 10:01:31 -07:00
Anthony Donnelly
3dccfaa0cd science/py-tensorflow: Update 1.14.0 -> 1.15.5 
PR:		250646
 2021-07-08 17:31:37 -07:00
Po-Chuan Hsieh
c7ec48dfa8 science/py-tobler: Update to 0.8.2 
Changes:	https://github.com/pysal/tobler/releases
 2021-07-06 22:57:14 +08:00
Po-Chuan Hsieh
00475691c9 science/py-spaghetti: Update to 1.6.2 
Changes:	https://github.com/pysal/spaghetti/releases
 2021-07-06 22:57:12 +08:00
Po-Chuan Hsieh
3db127d134 science/py-libpysal: Update to 4.5.1 
Changes:	https://github.com/pysal/libpysal/releases
 2021-07-06 22:57:09 +08:00
Yuri Victorovich
0da348755c science/py-pymatgen: Update 2022.0.9 -> 2022.0.10 
Reported by:	portscout
 2021-07-04 12:26:49 -07:00
Matthias Andree
4030a14b56 *: Bump PORTREVISION for openexr update 
OpenEXR's patchlevel updated bumped the major version
of the OpenEXR library, hence bump PORTREVISION of all
ports that require OpenEXR.
 2021-07-03 07:15:12 +02:00
Yuri Victorovich
8656d37567 science/lammps: Update 14May2021 -> 2Jul2021 
Reported by:	GitHub release notification
 2021-07-02 17:53:21 -07:00
Po-Chuan Hsieh
66d9c6b92c science/py-h5py: Update to 3.3.0 
Changes:	https://github.com/h5py/h5py/releases
		https://github.com/h5py/h5py/blob/master/docs/whatsnew/3.3.rst
		https://docs.h5py.org/en/stable/whatsnew/index.html
 2021-07-01 04:43:44 +08:00
Piotr Kubaj
5985a22c6f science/nest: fix build on powerpc 
LLVM on powerpc doesn't have libomp.
 2021-06-30 20:37:50 +00:00
Yuri Victorovich
402e9489c8 science/shelxle: Update 1.0.1275 -> 1.0.1278 
Reported by:	portscout
 2021-06-30 10:47:13 -07:00
Fernando Apesteguía
d6fa85db30 science/afni: update to 21.1.20 2021-06-29 22:45:33 +02:00
Fernando Apesteguía
c4a4d86841 science/afni: update to 21.1.19 2021-06-29 15:44:35 +02:00
Yuri Victorovich
16affd09fe science/thermofun: Update 0.3.7 -> 0.3.8 
Reported by:	portscout
 2021-06-28 15:46:19 -07:00