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* science/ghemical: Correct dependencyYuri Victorovich2022-11-191-1/+1
| | | | Reported by: fallout
* science/py-spaghetti: Update to 1.6.7Po-Chuan Hsieh2022-11-192-4/+4
| | | | Changes: https://github.com/pysal/spaghetti/releases
* science/libcifpp: Broken on i386Yuri Victorovich2022-11-191-0/+2
| | | | Reported by: fallout
* science/InsightToolkit: Update 5.2.1 -> 5.3rc04Yuri Victorovich2022-11-1912-76/+1443
| | | | Also include most remote modules.
* science/InsightToolkit521: New port: Fork of science/InsightToolkitYuri Victorovich2022-11-198-0/+4383
| | | | for graphics/elastix
* science/afni: update to 22.3.06Fernando Apesteguía2022-11-183-4/+6
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* science/paraview: upgrade to 5.11.0Thierry Thomas2022-11-177-404/+526
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* graphics/proj: Update to 9.1.0Loïc Bartoletti2022-11-173-1/+3
| | | | | | | | | | Release notes: https://proj.org/news.html#id37 Also remove proj-data dependency. You can use proj to retrieve data or install graphics/proj-data manually.
* lang/rust: Bump revisions after 1.65.0Mikael Urankar2022-11-171-0/+1
| | | | PR: 267622
* science/py-scikit-learn: Update to 1.1.3Wen Heping2022-11-172-5/+4
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* graphics/elastix: New port: Image registration toolboxYuri Victorovich2022-11-161-0/+3
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* science/py-dimod: Update 0.12.1 -> 0.12.2Yuri Victorovich2022-11-162-4/+4
| | | | Reported by: portscout
* science/InsightToolkit: Update 5.0.1 -> 5.2.1Yuri Victorovich2022-11-1610-69/+4448
| | | | Also fork InsightToolkit to InsightToolkit501 for graphics/vv.
* graphics/sciplot: Move to science/sciplotYuri Victorovich2022-11-165-0/+80
| | | | | PR: 267692 Reported by: Franco Fichtner <franco@opnsense.org>; philip@
* science/vmd: Update to 1.9.4a57Jason W. Bacon2022-11-169-387/+952
| | | | | Unbreak build: 1.9.3 incompatible with latest python tools Clean up portlint and stage qa issues
* science/py-dwave-system: Update 1.15.1 -> 1.16.0Yuri Victorovich2022-11-153-12/+15
| | | | Reported by: portscout
* science/dimod: Update 0.11.6 -> 0.12.2Yuri Victorovich2022-11-153-9/+13
| | | | Reported by: portscout
* science/py-qcengine: Correct test dependencyYuri Victorovich2022-11-151-2/+2
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* science/py-dwave-samplers: Update 1.0.0.dev1 -> 1.0.0.dev2Yuri Victorovich2022-11-154-110/+11
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* science/mopac: Update 7.1.15 -> 22.0.5Yuri Victorovich2022-11-154-41/+22
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* science/xtb: Update 6.4.1 -> 6.5.1; Add testsYuri Victorovich2022-11-154-10/+27
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* science/py-qcengine: Update 0.24.1 -> 0.25.0Yuri Victorovich2022-11-152-5/+8
| | | | Reported by: portscout
* science/py-mrchem: New port: MultiResolution ChemistryYuri Victorovich2022-11-156-0/+100
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* science/mrchem: New port: MultiResolution ChemistryYuri Victorovich2022-11-156-0/+223
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* science/mrcpp: Change MPI defaultYuri Victorovich2022-11-151-2/+3
| | | | | ... because the dependent port science/mrchem fails to build with OpenMPI.
* science/mrcpp: New port: MultiResolution Computation Program PackageYuri Victorovich2022-11-145-0/+536
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* science/lammps: Change VTK dependency from VTK-8 to VTK-9; Add option NETCDFYuri Victorovich2022-11-141-17/+22
| | | | Also correct some other options.
* science/libcifpp: Update 4.2.2 -> 5.0.3Yuri Victorovich2022-11-134-25/+64
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* science/py-dwave-preprocessing: Update 0.4.0 -> 0.5.2Yuri Victorovich2022-11-133-9/+21
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* science/trilinos: Update 13.4.0 -> 13.4.1Yuri Victorovich2022-11-133-135/+135
| | | | Reported by: portscout
* science/py-dimod: Update 0.12.0 -> 0.12.1Yuri Victorovich2022-11-132-4/+4
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* science/afni: update to 22.3.05Fernando Apesteguía2022-11-122-4/+4
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* cad/opencascade: bump PORTREVISION of consumers after upgrade to 7.7.0Thierry Thomas2022-11-121-1/+1
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* science/pynn: Update to 0.10.1Wen Heping2022-11-112-4/+4
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* science/highfive: Update 2.5.0 -> 2.6.1Yuri Victorovich2022-11-112-4/+4
| | | | Reported by: portscout
* math/openturns: Update 1.19 -> 1.20Yuri Victorovich2022-11-101-1/+1
| | | | Reported by: portscout
* science/py-geometric: Update 0.9.7.2 -> 1.0Yuri Victorovich2022-11-082-5/+6
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* science/py-dimod: Update 0.11.6 -> 0.12.0Yuri Victorovich2022-11-082-4/+4
| | | | Reported by: portscout
* science/py-moltemplate: Update 2.20.14 -> 2.20.15Yuri Victorovich2022-11-082-4/+4
| | | | Reported by: portscout
* science/py-qcelemental: Update 0.25.0 -> 0.25.1Yuri Victorovich2022-11-082-4/+4
| | | | Reported by: portscout
* science/py-veusz: Update 3.4 -> 3.5.3Yuri Victorovich2022-11-073-182/+13
| | | | Reported by: portscout
* science/ttk: Broken on i386Yuri Victorovich2022-11-071-0/+2
| | | | Reported by: fallout
* science/afni: update to 22.3.04Fernando Apesteguía2022-11-063-5/+18
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* science/py-scipy: fix packaging with PYTHON_DEFAULT!=3.9 (+)Dima Panov2022-11-051-1/+1
| | | | | Reported by: poudriere bulk -t fallout Approved by: portmgr blanket
* science/*: bump PORTREVISION in consumers of libXCThierry Thomas2022-11-0514-12/+14
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* science/libxc: upgrade to libXC 6Thierry Thomas2022-11-054-17/+32
| | | | | | | Changelog at <https://www.tddft.org/programs/libxc/changes/>. PR: 267356 Approved by: jmd (maintainer)
* science/py-netCDF4: Update version 1.6.0=>1.6.1Muhammad Moinur Rahman2022-11-052-4/+4
| | | | Relnotes: https://github.com/Unidata/netcdf4-python/releases/tag/v1.6.1
* science/py-qiskit-terra: Update 0.21.2 -> 0.22.2Yuri Victorovich2022-11-052-96/+115
| | | | Reported by: portscout
* KDE: Update KDE Gear to 22.08.3Tobias C. Berner2022-11-042-6/+6
| | | | | | | | | | | | | | | | | | Thursday, 3 November 2022 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 with updated translations, including: * dolphin: Fix opening unnecessary new windows (Commit, fixes bug #440663) * konsole: Fix a crash when extending the selection (Commit, fixes bug #398320 and bug #458822) Announcement: https://kde.org/announcements/gear/22.08.3/ Changelog: https://kde.org/announcements/changelogs/gear/22.08.3/
* science/py-earthpy: adding a tool to plot and manipulate spatial data in PythonThierry Thomas2022-11-045-0/+89
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