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* science/py-obspy: Update to 1.3.1Wen Heping2022-10-142-4/+4
* KDE: Update KDE Gear to 22.08.2Tobias C. Berner2022-10-142-6/+6
* Revert "textproc/py-python-lsp-black: New port: Black plugin for the Python L...Yuri Victorovich2022-10-134-14/+9
* textproc/py-python-lsp-black: New port: Black plugin for the Python LSP ServerYuri Victorovich2022-10-134-9/+14
* science/atompaw: Update 4.2.0.1 -> 4.2.0.2Yuri Victorovich2022-10-132-5/+6
* science/liggghts: Update 3.8.0-45 -> 3.8.0-58Yuri Victorovich2022-10-134-66/+112
* science/afni: update to 23.2.01Fernando Apesteguía2022-10-113-4/+5
* science/qmcpack: Update 3.14.0 -> 3.15.0Yuri Victorovich2022-10-093-8/+16
* devel/protobuf: Update to 3.21.7Po-Chuan Hsieh2022-10-093-3/+3
* science/afni: update to 22.3.00Fernando Apesteguía2022-10-092-4/+4
* science/spglib: Update 1.16.5 -> 2.0.1Yuri Victorovich2022-10-088-13/+36
* science/py-dwave-ocean-sdk: Update 5.4.0 -> 5.5.0Yuri Victorovich2022-10-072-4/+4
* science/py-dimod: Update 0.11.5 -> 0.11.6Yuri Victorovich2022-10-072-5/+5
* science/dimod: Update 0.11.5 -> 0.11.6Yuri Victorovich2022-10-076-18/+25
* science/py-kliff: Update 0.4.0 -> 0.4.1Yuri Victorovich2022-10-072-11/+9
* science/py-kimpy: New port: Python interface to the KIM-APIYuri Victorovich2022-10-074-0/+34
* all: Bump PORTREVISION after lang/go{118,119} updateDmitri Goutnik2022-10-062-2/+2
* science/agrum: Update 1.2.0 -> 1.3.1Yuri Victorovich2022-10-063-6/+10
* science/py-phonopy: Update 2.16.2 -> 2.16.3Yuri Victorovich2022-10-052-4/+4
* science/phonopy: Update 2.16.2.20220930 -> 2.16.3Yuri Victorovich2022-10-052-11/+5
* science/cp2k-data: Update 2022.1 -> 2022.2Yuri Victorovich2022-10-052-4/+4
* science/cp2k: Update 2022.1 -> 2022.2Yuri Victorovich2022-10-052-4/+4
* science/py-dwave-system: Update 1.15.0 -> 1.15.1Yuri Victorovich2022-10-052-6/+6
* science/py-pyqubo: Update 1.2.0 -> 1.3.0Yuri Victorovich2022-10-052-7/+7
* science/py-dwave-neal: Correct dependenciesYuri Victorovich2022-10-051-4/+2
* science/gemmi: Fix testsYuri Victorovich2022-10-041-1/+3
* science/py-atomium: New port: Molecular modeller and file parserYuri Victorovich2022-10-044-0/+39
* science/py-gemmi: Correct CATEGORIESYuri Victorovich2022-10-041-1/+1
* science/dssp: New port: Application to assign secondary structure to proteinsYuri Victorovich2022-10-044-0/+33
* science/cif-tools: New port: Suite of programs to manipulate and examine mmCI...Yuri Victorovich2022-10-046-0/+53
* science/libcifpp: New port: Library to manipulate mmCIF and PDB filesYuri Victorovich2022-10-045-0/+57
* science/{,py-}gemmi: New ports: Macromolecular crystallography library and ut...Yuri Victorovich2022-10-049-0/+352
* science/py-mmcif: New port: mmCIF Core Access LibraryYuri Victorovich2022-10-045-0/+44
* science/mmtf-cpp: Update 1.0.0 -> 1.1.0Yuri Victorovich2022-10-043-27/+26
* science/py-pygeometa: Update to 0.13.1Po-Chuan Hsieh2022-10-032-4/+4
* science/py-PyFR: Update 1.14.0 -> 1.15.0Yuri Victorovich2022-10-032-5/+5
* science/pastix: upgrade to v6.2.2 and SPM to 1.1.1Thierry Thomas2022-10-024-12/+15
* all: deprecate ports depending on expired py-pyjwt1Rene Ladan2022-09-301-0/+3
* science/phonopy: Update 2.16.2 -> 2.16.2.20220930 fixes armv7 buildYuri Victorovich2022-09-302-7/+11
* science/phonopy: Broken on armv7Yuri Victorovich2022-09-301-0/+2
* science/py-qcengine: Update 0.23.0 -> 0.24.1Yuri Victorovich2022-09-302-8/+5
* science/jmol: Update 14.32.75 -> 14.32.76Yuri Victorovich2022-09-302-4/+4
* science/py-mmtf-python: Update 1.1.2 -> 1.1.3Yuri Victorovich2022-09-302-6/+9
* devel/flatbuffers: Update 2.0.8 -> 22.9.24Yuri Victorovich2022-09-291-0/+1
* devel/onetbb: Update to 2021.6.0Ganael LAPLANCHE2022-09-285-4/+5
* science/qbox: Update 1.74.4 -> 1.75.0Yuri Victorovich2022-09-272-4/+4
* science/molsketch: Update 0.7.2 -> 0.7.3Yuri Victorovich2022-09-272-6/+5
* science/py-moltemplate: Update 2.20.6 -> 2.20.14Yuri Victorovich2022-09-272-9/+24
* science/elk: Update 8.5.2 -> 8.5.10Yuri Victorovich2022-09-262-4/+4
* science/py-qiskit-nature: Update 0.4.4 -> 0.4.5Yuri Victorovich2022-09-242-5/+6
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