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* science/gabedit: fix build on powerpcPiotr Kubaj2021-06-151-0/+1
* science/elk: Update 7.1.14 -> 7.2.42Yuri Victorovich2021-06-142-4/+4
* science/py-spaghetti: Update to 1.6.0Po-Chuan Hsieh2021-06-142-4/+4
* science/py-asdf: Update to 2.8.1Po-Chuan Hsieh2021-06-142-4/+4
* */*: Zpdate KDE Gear to 21.04.2Tobias C. Berner2021-06-134-6/+18
* misc/openvdb: Update 8.0.1 -> 8.1.0Yuri Victorovich2021-06-131-1/+1
* devel/googletest: update to 1.11.0Jan Beich2021-06-121-1/+1
* science/agrum: Update 0.20.2 -> 0.20.3Yuri Victorovich2021-06-123-5/+6
* science/rdkit: Update 2020.09.5 -> 2021.03.3Yuri Victorovich2021-06-114-20/+72
* science/coordgenlibs: Update 1.4.2 -> 2.0.3Yuri Victorovich2021-06-115-10/+26
* science/py-phonopy: Update 2.9.3 -> 2.10.0Yuri Victorovich2021-06-112-4/+4
* science/py-eccodes: Remove PYNUMPYPo-Chuan Hsieh2021-06-101-1/+1
* science/eccodes: Update to 2.22.0Po-Chuan Hsieh2021-06-103-4/+132
* science/smoldyn: Fix build - release was rerolledYuri Victorovich2021-06-102-3/+4
* science/py-phono3py: Remove unnecessary build dependency on math/lapackeYuri Victorovich2021-06-091-2/+1
* science/orthanc: Hook to the buildGuangyuan Yang2021-06-081-0/+1
* science/orthanc: Revive portFrank Scholl2021-06-087-0/+230
* science/xcfun: fix build on GCC-based systemsMark Linimon2021-06-071-1/+1
* science/xcfun: Remove redundant 'v' from DISTVERSIONYuri Victorovich2021-06-062-4/+4
* science/libcint: Fix tests by adding the science/py-pyscf dependencyYuri Victorovich2021-06-051-1/+2
* science/py-pyscf: New port: Python module for quantum chemistryYuri Victorovich2021-06-056-0/+76
* science/xcfun: New port: Exchange-correlation functionals with arbitrary-orde...Yuri Victorovich2021-06-055-0/+63
* science/libcint: Update 4.4.0 -> 4.4.1Yuri Victorovich2021-06-052-4/+4
* science/py-PyFR: Update 1.12.0 -> 1.12.1Yuri Victorovich2021-06-052-5/+5
* science/avogadro2: Update 1.93.0 -> 1.94.0Yuri Victorovich2021-06-042-4/+4
* science/avogadrolibs: Remove redundant lineYuri Victorovich2021-06-041-2/+0
* science/py-avogadrolibs: Update 1.93.0 -> 1.94.0Yuri Victorovich2021-06-043-11/+11
* science/avogadrolibs: Update 1.93.1 -> 1.94.0Yuri Victorovich2021-06-045-49/+989
* devel/googletest: update to 1.10.0.667Jan Beich2021-06-031-1/+1
* science/jmol: Update 14.31.40 -> 14.31.41Yuri Victorovich2021-06-022-4/+4
* science/shelxle: Update 1.0.1264 -> 1.0.1267Yuri Victorovich2021-06-022-4/+4
* science/py-scipy: Fix required python versionJohn W. O'Brien2021-06-011-1/+1
* science/afni: update to 21.1.09Fernando Apesteguía2021-05-312-4/+4
* science/shelxle: Update 1.0.1260 -> 1.0.1264Yuri Victorovich2021-05-312-4/+4
* science/opensph: Add pkg-messageYuri Victorovich2021-05-311-0/+12
* science/opensph: Backport more patchesYuri Victorovich2021-05-312-6/+6
* science/opensph: Fix EIGEN optionYuri Victorovich2021-05-301-0/+1
* science/opensph: Add options, backport relevant fixesYuri Victorovich2021-05-302-14/+32
* science/p5-Geo-WebService-Elevation-USGS: Update to 0.119Po-Chuan Hsieh2021-05-302-4/+5
* science/p5-Chemistry-Mol: Update to 0.38Po-Chuan Hsieh2021-05-302-5/+7
* science/opensph: Update g20190519 -> 0.3.4Yuri Victorovich2021-05-306-90/+46
* science/jmol: Update 14.31.39 -> 14.31.40Yuri Victorovich2021-05-272-4/+4
* science/afni: update to 21.1.08Fernando Apesteguía2021-05-273-4/+5
* graphics/py-pyproj: Update to 3.1.0Po-Chuan Hsieh2021-05-261-1/+1
* devel/grpc: Update to 1.38.0Po-Chuan Hsieh2021-05-261-1/+1
* science/py-kliff: Update 0.2.0 -> 0.2.2Yuri Victorovich2021-05-262-4/+4
* science/hypre: Update 2.20.0 -> 2.21.0Yuri Victorovich2021-05-263-5/+5
* science/shelxle: Update 1.0.1258 -> 1.0.1260Yuri Victorovich2021-05-262-4/+4
* science/R-cran-e1071: Update to 1.7-7TAKATSU Tomonari2021-05-262-4/+4
* Mk: switch PYTHON_REL to 5 digits to support python 3.10.xDmitry Marakasov2021-05-252-2/+2
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