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* Fix CONFLICTS entries of multiple portsStefan Eßer2022-01-103-0/+6
* science/R-cran-udunits2: Update to 0.13.2TAKATSU Tomonari2022-01-092-4/+4
* science/R-cran-cmprsk: Update to 2.2-11TAKATSU Tomonari2022-01-092-4/+4
* science/jmol: Update 14.32.8 -> 14.32.10Yuri Victorovich2022-01-082-4/+4
* science/cdf: Add shells/bash to build_depends.Stephen Montgomery-Smith2022-01-081-0/+3
* science/dynare: Update 4.6.4 -> 5.0Yuri Victorovich2022-01-085-88/+218
* science/sparta: Update 20Oct2021 -> 7Jan2022Yuri Victorovich2022-01-082-4/+4
* category/port: science/cdfStephen Montgomery-Smith2022-01-077-24/+62
* science/qmcpack: Update 3.11.0 -> 3.12.0-217Yuri Victorovich2022-01-072-12/+10
* science/PETSc: Update 3.14.1 -> 3.16.3Yuri Victorovich2022-01-074-10/+39
* science/octopus: Backport the fix for testsuiteYuri Victorovich2022-01-062-1/+14
* science/afni: update to 21.3.17Fernando Apesteguía2022-01-062-4/+4
* KDE: Update KDE Gear to 21.12.1Tobias C. Berner2022-01-063-6/+29
* science/octopus: Update 10.5 -> 11.3Yuri Victorovich2022-01-055-116/+215
* science/libxc: update to 5.1.7Johannes M Dieterich2022-01-054-7/+11
* science/fleur: Fix typo in USESYuri Victorovich2022-01-051-1/+1
* devel/onetbb: Update to 2021.5.0Ganael LAPLANCHE2022-01-052-2/+2
* science/fleur: Re-add port: FLAPW code for atomic computations in quantum che...Yuri Victorovich2022-01-054-0/+82
* science/plumed: Add missing dependencies and binary alias which fixes most te...Yuri Victorovich2022-01-041-2/+10
* science/plumed: Fix the test targetYuri Victorovich2022-01-041-3/+8
* science/multicharge: New port: Electronegativity equilibration model for atom...Yuri Victorovich2022-01-046-0/+72
* science/dftd4: New port: Atomic-charge dependent london dispersion correction...Yuri Victorovich2022-01-045-0/+68
* science/mstore: New port: Molecular structure store for testingYuri Victorovich2022-01-045-0/+57
* science/mctc-lib: New port: Computation tool chain library to work with molec...Yuri Victorovich2022-01-046-0/+81
* science/py-gpaw: Fix missing MPI symbol; Add missing gpaw-setups dependencyYuri Victorovich2022-01-031-1/+5
* science/plumed: Update 2.7.2 -> 2.8bYuri Victorovich2022-01-033-32/+43
* science/py-ase: Update 3.22.0 -> 3.22.1Yuri Victorovich2022-01-032-4/+4
* science/py-kliff: Update 0.3.0 -> 0.3.1Yuri Victorovich2022-01-032-5/+5
* science/jmol: Update 14.32.7 -> 14.32.8Yuri Victorovich2022-01-033-4/+5
* science/jmol: Update 14.32.6 -> 14.32.7Yuri Victorovich2021-12-313-7/+4
* science/{,py-}rmf: Update 1.3 -> 1.3.1Yuri Victorovich2021-12-294-8/+8
* science/shelxle: Update 1.0.1348 -> 1.0.1352Yuri Victorovich2021-12-292-4/+4
* science/py-moltemplate: Update 2.19.12 -> 2.19.14Yuri Victorovich2021-12-292-4/+4
* science/afni: update to 21.3.16Fernando Apesteguía2021-12-292-4/+4
* science/conduit: Update 0.7.2 -> 0.8.0Yuri Victorovich2021-12-283-13/+20
* science/libcint: Update 4.4.6 -> 5.1.0Yuri Victorovich2021-12-264-5/+11
* science/code_saturne: upgrade to 7.1.0Thierry Thomas2021-12-263-67/+83
* science/jmol: Set JAVA_VERSION to 8Benjamin Takacs2021-12-261-0/+2
* science/py-scikit-learn: Update to 1.0.2Wen Heping2021-12-262-8/+12
* science/jmol: Update 14.32.5 -> 14.32.6Yuri Victorovich2021-12-243-4/+5
* science/py-OpenFermion: Update 1.2.0 -> 1.3.0Yuri Victorovich2021-12-232-11/+7
* science/axom: mark BROKEN on powerpcPiotr Kubaj2021-12-231-0/+1
* science/jmol: Update 14.31.62 -> 14.32.5Yuri Victorovich2021-12-233-4/+5
* science/afni: update to 21.3.13Fernando Apesteguía2021-12-222-4/+4
* science/cantera: For OCTAVE option, fix .mex file pathYuri Victorovich2021-12-222-2/+7
* science/cantera: Add pkg-message when OCTAVE option is enabled.Yuri Victorovich2021-12-212-0/+16
* science/rubygem-rgeo: Update to 2.3.1Po-Chuan Hsieh2021-12-222-4/+4
* devel/grpc: Update to 1.42.0Po-Chuan Hsieh2021-12-221-1/+1
* science/afni: update to 21.3.12Fernando Apesteguía2021-12-204-19/+16
* science/dynare: Update instructions in pkg-message.Yuri Victorovich2021-12-192-1/+2
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