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* science/gabedit: fix build on powerpcPiotr Kubaj2021-06-151-0/+1
| | | | LLVM on powerpc doesn't have libomp.
* science/elk: Update 7.1.14 -> 7.2.42Yuri Victorovich2021-06-142-4/+4
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* science/py-spaghetti: Update to 1.6.0Po-Chuan Hsieh2021-06-142-4/+4
| | | | Changes: https://github.com/pysal/spaghetti/releases
* science/py-asdf: Update to 2.8.1Po-Chuan Hsieh2021-06-142-4/+4
| | | | Changes: https://github.com/asdf-format/asdf/releases
* */*: Zpdate KDE Gear to 21.04.2Tobias C. Berner2021-06-134-6/+18
| | | | | | | | | | Thursday, 10 June 2021 Over 120 individual programs plus dozens of programmer libraries and feature plugins are released simultaneously as part of KDE Gear. The full changelog can be found here: https://kde.org/announcements/changelogs/gear/21.04.2/
* misc/openvdb: Update 8.0.1 -> 8.1.0Yuri Victorovich2021-06-131-1/+1
| | | | Reported by: portscout
* devel/googletest: update to 1.11.0Jan Beich2021-06-121-1/+1
| | | | | | Changes: https://github.com/google/googletest/compare/53495a2a...release-1.11.0 Changes: https://github.com/google/googletest/releases/tag/release-1.11.0 Reported by: GitHub (watch releases)
* science/agrum: Update 0.20.2 -> 0.20.3Yuri Victorovich2021-06-123-5/+6
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* science/rdkit: Update 2020.09.5 -> 2021.03.3Yuri Victorovich2021-06-114-20/+72
| | | | Reported by: portscout
* science/coordgenlibs: Update 1.4.2 -> 2.0.3Yuri Victorovich2021-06-115-10/+26
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* science/py-phonopy: Update 2.9.3 -> 2.10.0Yuri Victorovich2021-06-112-4/+4
| | | | Reported by: portscout
* science/py-eccodes: Remove PYNUMPYPo-Chuan Hsieh2021-06-101-1/+1
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* science/eccodes: Update to 2.22.0Po-Chuan Hsieh2021-06-103-4/+132
| | | | Changes: https://confluence.ecmwf.int/display/ECC/Latest+news
* science/smoldyn: Fix build - release was rerolledYuri Victorovich2021-06-102-3/+4
| | | | | | The upstream has confirmed that they rerolled it. Reported by: fallout
* science/py-phono3py: Remove unnecessary build dependency on math/lapackeYuri Victorovich2021-06-091-2/+1
| | | | | PR: 256493 Reported by: John Hein <jcfyecrayz@liamekaens.com>
* science/orthanc: Hook to the buildGuangyuan Yang2021-06-081-0/+1
| | | | | | PR: 242546 Fixes: d0359493ee0443e596be74b336ea12e6db936a01 Approved by: lwhsu (mentor, implicit), portmgr (fix build)
* science/orthanc: Revive portFrank Scholl2021-06-087-0/+230
| | | | | | | | Orthanc is a Lightweight DICOM server for healthcare and medical research. PR: 242546 Approved by: lwhsu (mentor)
* science/xcfun: fix build on GCC-based systemsMark Linimon2021-06-071-1/+1
| | | | | | | | by adding compiler:c++11-lang to USES: CMake Error in /wrkdirs/usr/ports/science/xcfun/work/.build/CMakeFiles/CMakeTmp/CMakeLists.txt: Target "cmTC_6be99" requires the language dialect "CXX11" , but CMake does not know the compile flags to use to enable it.
* science/xcfun: Remove redundant 'v' from DISTVERSIONYuri Victorovich2021-06-062-4/+4
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* science/libcint: Fix tests by adding the science/py-pyscf dependencyYuri Victorovich2021-06-051-1/+2
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* science/py-pyscf: New port: Python module for quantum chemistryYuri Victorovich2021-06-056-0/+76
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* science/xcfun: New port: Exchange-correlation functionals with ↵Yuri Victorovich2021-06-055-0/+63
| | | | arbitrary-order derivatives
* science/libcint: Update 4.4.0 -> 4.4.1Yuri Victorovich2021-06-052-4/+4
| | | | Reported by: portscout
* science/py-PyFR: Update 1.12.0 -> 1.12.1Yuri Victorovich2021-06-052-5/+5
| | | | Reported by: portscout
* science/avogadro2: Update 1.93.0 -> 1.94.0Yuri Victorovich2021-06-042-4/+4
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* science/avogadrolibs: Remove redundant lineYuri Victorovich2021-06-041-2/+0
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* science/py-avogadrolibs: Update 1.93.0 -> 1.94.0Yuri Victorovich2021-06-043-11/+11
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* science/avogadrolibs: Update 1.93.1 -> 1.94.0Yuri Victorovich2021-06-045-49/+989
| | | | Reported by: portscout
* devel/googletest: update to 1.10.0.667Jan Beich2021-06-031-1/+1
| | | | | | | | Upstream no longer makes releases, see https://github.com/google/googletest/commit/861d535e2595 Changes: https://github.com/google/googletest/compare/release-1.10.0...53495a2a Reported by: ngie (1 year ago)
* science/jmol: Update 14.31.40 -> 14.31.41Yuri Victorovich2021-06-022-4/+4
| | | | Reported by: portscout
* science/shelxle: Update 1.0.1264 -> 1.0.1267Yuri Victorovich2021-06-022-4/+4
| | | | Reported by: portscout
* science/py-scipy: Fix required python versionJohn W. O'Brien2021-06-011-1/+1
| | | | | | | | | scipy dropped support for 3.6 as of 1.6.0: https://github.com/scipy/scipy/commit/0a4f408d9bd560f9a379d2e33b136b93f3583042 PR: 256083 MFH: 2021Q2
* science/afni: update to 21.1.09Fernando Apesteguía2021-05-312-4/+4
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* science/shelxle: Update 1.0.1260 -> 1.0.1264Yuri Victorovich2021-05-312-4/+4
| | | | Reported by: portscout
* science/opensph: Add pkg-messageYuri Victorovich2021-05-311-0/+12
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* science/opensph: Backport more patchesYuri Victorovich2021-05-312-6/+6
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* science/opensph: Fix EIGEN optionYuri Victorovich2021-05-301-0/+1
| | | | Add corresponding qmake switch that was missing.
* science/opensph: Add options, backport relevant fixesYuri Victorovich2021-05-302-14/+32
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* science/p5-Geo-WebService-Elevation-USGS: Update to 0.119Po-Chuan Hsieh2021-05-302-4/+5
| | | | Changes: https://metacpan.org/changes/distribution/Geo-WebService-Elevation-USGS
* science/p5-Chemistry-Mol: Update to 0.38Po-Chuan Hsieh2021-05-302-5/+7
| | | | Changes: https://metacpan.org/changes/distribution/Chemistry-Mol
* science/opensph: Update g20190519 -> 0.3.4Yuri Victorovich2021-05-306-90/+46
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* science/jmol: Update 14.31.39 -> 14.31.40Yuri Victorovich2021-05-272-4/+4
| | | | Reported by: portscout
* science/afni: update to 21.1.08Fernando Apesteguía2021-05-273-4/+5
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* graphics/py-pyproj: Update to 3.1.0Po-Chuan Hsieh2021-05-261-1/+1
| | | | | | - Update USES=python of dependent ports Changes: https://github.com/pyproj4/pyproj/releases
* devel/grpc: Update to 1.38.0Po-Chuan Hsieh2021-05-261-1/+1
| | | | | | - Bump PORTREVISION of dependent ports for shlib change Changes: https://github.com/grpc/grpc/releases
* science/py-kliff: Update 0.2.0 -> 0.2.2Yuri Victorovich2021-05-262-4/+4
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* science/hypre: Update 2.20.0 -> 2.21.0Yuri Victorovich2021-05-263-5/+5
| | | | Reported by: portscout
* science/shelxle: Update 1.0.1258 -> 1.0.1260Yuri Victorovich2021-05-262-4/+4
| | | | Reported by: portscout
* science/R-cran-e1071: Update to 1.7-7TAKATSU Tomonari2021-05-262-4/+4
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* Mk: switch PYTHON_REL to 5 digits to support python 3.10.xDmitry Marakasov2021-05-252-2/+2
| | | | | | | PR: 255013 Differential Revision: https://reviews.freebsd.org/D29418 Exp-run by: antoine Approved by: wen@, no objection from python@ or portmgr@