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* science/plumed: Update 2.7.1 -> 2.7.2Yuri Victorovich2021-07-283-27/+27
| | | | Reported by: portscout
* science/jmol: Update 14.31.47 -> 14.31.48Yuri Victorovich2021-07-282-4/+4
| | | | Reported by: portscout
* science/py-cirq-{aqt,ionq,pasqal}: New ports: Modules for the Cirq quantum ↵Yuri Victorovich2021-07-2813-0/+160
| | | | computing framework
* science/gramps: update to 5.1.4Fernando Apesteguía2021-07-282-8/+8
| | | | | | ChangeLog: https://gramps-project.org/blog/2021/07/gramps-5-1-4-released/ Reported by: portscout
* science/py-PyFR: Update 1.12.1 -> 1.12.2Yuri Victorovich2021-07-272-4/+4
| | | | Reported by: portscout
* science/jmol: Update 14.31.46 -> 14.31.47Yuri Victorovich2021-07-272-4/+4
| | | | Reported by: portscout
* science/py-OpenFermion: Update 0.11.0 -> 1.1.0Yuri Victorovich2021-07-272-6/+11
| | | | Reported by: portscout
* science/py-PubChemPy: New port: Simple Python wrapper around the PubChem PUG ↵Yuri Victorovich2021-07-275-0/+33
| | | | REST API
* science/py-{core,google}: New ports: Writing, manipulating, and optimizing ↵Yuri Victorovich2021-07-268-0/+98
| | | | quantum circuits and running them against quantum computers and simulators
* science/shelxle: Update 1.0.1278 -> 1.0.1290Yuri Victorovich2021-07-262-4/+4
| | | | Reported by: portscout
* science/py-cdo: Update to 1.5.5Po-Chuan Hsieh2021-07-242-4/+4
| | | | | Changes: https://github.com/Try2Code/cdo-bindings/blob/master/README.md#changelog https://github.com/Try2Code/cdo-bindings/commits/master/python
* science/eccodes: Update to 2.22.1Po-Chuan Hsieh2021-07-243-4/+70
| | | | Changes: https://confluence.ecmwf.int/display/ECC/Latest+news
* science/pulseview: prepare for glib-2.68.3Tobias C. Berner2021-07-242-1/+7
| | | | | | | Add upstream fix. Obtained from: https://github.com/sigrokproject/pulseview/commit/ed643f0b4ac587204a5243451cda181ee1405d62 PR: 256200
* science/libcint: Update 4.4.2 -> 4.4.3Yuri Victorovich2021-07-232-4/+4
| | | | Reported by: portscout
* science/jmol: Update 14.31.45 -> 14.31.46Yuri Victorovich2021-07-232-4/+4
| | | | Reported by: portscout
* science/jmol: Update 14.31.44 -> 14.31.45Yuri Victorovich2021-07-232-4/+4
| | | | Reported by: portscout
* science/py-tensorflow: Fix build with protobuf 3.17.3Po-Chuan Hsieh2021-07-211-0/+22
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* devel/protobuf: Update to 3.17.3Po-Chuan Hsieh2021-07-212-1/+2
| | | | | | | | - Bump PORTREVISION of dependent ports for shlib change Changes: https://github.com/protocolbuffers/protobuf/releases PR: 257026 Exp-run by: antoine
* devel/libfmt: Update to 8.0.0Po-Chuan Hsieh2021-07-211-1/+1
| | | | | | | | - Bump PORTREVISION of dependent ports for shlib change Changes: https://github.com/fmtlib/fmt/releases PR: 257026 Exp-run by: antoine
* science/afni: update to 21.2.01Fernando Apesteguía2021-07-202-4/+4
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* science/votca: Update 2021 -> 2021.1Yuri Victorovich2021-07-192-4/+4
| | | | Reported by: portscout
* *: bump PORTREVISION after math/Imath updateMatthias Andree2021-07-171-0/+1
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* science/p5-Chemistry-Mol: Sort PLISTPo-Chuan Hsieh2021-07-141-8/+8
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* science/afni: Update to 21.2.00Neel Chauhan2021-07-142-4/+4
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* science/opensph: Update 0.3.5 -> 0.3.6Yuri Victorovich2021-07-143-8/+7
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* science/jmol: Update 14.31.42 -> 14.31.44Yuri Victorovich2021-07-122-4/+4
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* science/rdkit: Update 2021.03.3 -> 2021.03.4Yuri Victorovich2021-07-122-8/+8
| | | | Reported by: portscout
* */*: Update KDE Gear to 21.04.3Tobias C. Berner2021-07-094-8/+6
| | | | | | | | | | 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/
* science/hepmc3: Update 3.2.3 -> 3.2.4Yuri Victorovich2021-07-092-4/+4
| | | | Reported by: portscout
* science/libcint: Update 4.4.1 -> 4.4.2Yuri Victorovich2021-07-092-4/+4
| | | | Reported by: portscout
* science/py-tensorflow: Update 1.14.0 -> 1.15.5Anthony Donnelly2021-07-0953-266/+558
| | | | PR: 250646
* science/py-tobler: Update to 0.8.2Po-Chuan Hsieh2021-07-062-4/+4
| | | | Changes: https://github.com/pysal/tobler/releases
* science/py-spaghetti: Update to 1.6.2Po-Chuan Hsieh2021-07-062-4/+4
| | | | Changes: https://github.com/pysal/spaghetti/releases
* science/py-libpysal: Update to 4.5.1Po-Chuan Hsieh2021-07-062-4/+4
| | | | Changes: https://github.com/pysal/libpysal/releases
* science/py-pymatgen: Update 2022.0.9 -> 2022.0.10Yuri Victorovich2021-07-042-14/+14
| | | | Reported by: portscout
* *: Bump PORTREVISION for openexr updateMatthias Andree2021-07-031-0/+1
| | | | | | OpenEXR's patchlevel updated bumped the major version of the OpenEXR library, hence bump PORTREVISION of all ports that require OpenEXR.
* science/lammps: Update 14May2021 -> 2Jul2021Yuri Victorovich2021-07-033-4/+13
| | | | Reported by: GitHub release notification
* science/py-h5py: Update to 3.3.0Po-Chuan Hsieh2021-06-303-4/+6
| | | | | | 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
* science/nest: fix build on powerpcPiotr Kubaj2021-06-301-1/+9
| | | | LLVM on powerpc doesn't have libomp.
* science/shelxle: Update 1.0.1275 -> 1.0.1278Yuri Victorovich2021-06-302-4/+4
| | | | Reported by: portscout
* science/afni: update to 21.1.20Fernando Apesteguía2021-06-292-4/+4
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* science/afni: update to 21.1.19Fernando Apesteguía2021-06-292-4/+4
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* science/thermofun: Update 0.3.7 -> 0.3.8Yuri Victorovich2021-06-282-5/+4
| | | | Reported by: portscout
* science/simgrid: enable libunwind on armv7Piotr Kubaj2021-06-281-0/+2
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* science/py-ase: Update 3.21.1 -> 3.22.0Yuri Victorovich2021-06-282-6/+6
| | | | Reported by: portscout
* science/jmol: Update 14.31.41 -> 14.31.42Yuri Victorovich2021-06-273-4/+6
| | | | Reported by: portscout
* science/opensph: Update 0.3.4 -> 0.3.5Yuri Victorovich2021-06-252-6/+5
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* science/afni: update to 21.1.16Fernando Apesteguía2021-06-242-4/+4
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* science/shelxle: Update 1.0.1273 -> 1.0.1275Yuri Victorovich2021-06-232-5/+4
| | | | Reported by: portscout
* science/hypre: Update 2.21.0 -> 2.22.0Yuri Victorovich2021-06-233-6/+5
| | | | Reported by: portscout