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* science/afni: update to 21.0.21fernape2021-03-28
| | | | git-svn-id: http://svn.freebsd.org/ports/head@569378 35697150-7ecd-e111-bb59-0022644237b5
* science/shelxle: Update 1.0.1233 -> 1.0.1235yuri2021-03-25
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@569195 35697150-7ecd-e111-bb59-0022644237b5
* science/smoldyn: Update 2.63 -> 2.64yuri2021-03-25
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@569194 35697150-7ecd-e111-bb59-0022644237b5
* science/abinit: Update 9.4.0 -> 9.4.1yuri2021-03-24
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@569091 35697150-7ecd-e111-bb59-0022644237b5
* Fix spelling mistakes, typos, poor wording, hyphenation, jargonisms,danfe2021-03-22
| | | | | | | | contractions, "<portname> is ..." cases, missing Oxford commas, and other miscellaneous style bugs in the COMMENT line. git-svn-id: http://svn.freebsd.org/ports/head@568947 35697150-7ecd-e111-bb59-0022644237b5
* science/py-phono3py: Update 1.13.3.27 -> 1.22.3yuri2021-03-20
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568851 35697150-7ecd-e111-bb59-0022644237b5
* science/py-phonopy: 2.9.1 -> 2.9.3yuri2021-03-20
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568840 35697150-7ecd-e111-bb59-0022644237b5
* science/py-pymatgen: Update 2022.0.4 -> 2022.0.5yuri2021-03-20
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568839 35697150-7ecd-e111-bb59-0022644237b5
* - Update to 1.7-6tota2021-03-20
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568837 35697150-7ecd-e111-bb59-0022644237b5
* science/afni: update to 21.0.20fernape2021-03-18
| | | | | | | | | While here, adopt port. Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568750 35697150-7ecd-e111-bb59-0022644237b5
* science/agrum: Update 0.19.2 -> 0.19.3yuri2021-03-18
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568734 35697150-7ecd-e111-bb59-0022644237b5
* science/jmol: Update 14.31.34 -> 14.31.35yuri2021-03-18
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568725 35697150-7ecd-e111-bb59-0022644237b5
* science/afni: update to 21.0.19fernape2021-03-17
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568676 35697150-7ecd-e111-bb59-0022644237b5
* science/afni: Update to 21.0.18nc2021-03-16
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568604 35697150-7ecd-e111-bb59-0022644237b5
* science/shelxle: Update 1.0.1231 -> 1.0.1233yuri2021-03-16
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568587 35697150-7ecd-e111-bb59-0022644237b5
* - Update to 1.7-5tota2021-03-16
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568559 35697150-7ecd-e111-bb59-0022644237b5
* PyQt5: Update PyQt5 to 5.15.4 and py-qtbuilder to 1.9.1lbartoletti2021-03-16
| | | | | | | | PR: 254218 Exp-run by: antoine git-svn-id: http://svn.freebsd.org/ports/head@568547 35697150-7ecd-e111-bb59-0022644237b5
* science/elk: Update 6.8.4 -> 7.1.14yuri2021-03-15
| | | | | | | Reported by: upstream notification git-svn-id: http://svn.freebsd.org/ports/head@568483 35697150-7ecd-e111-bb59-0022644237b5
* science/afni: update to 21.0.17fernape2021-03-15
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568439 35697150-7ecd-e111-bb59-0022644237b5
* science/py-dipy: Update 1.3.0 -> 1.4.0yuri2021-03-15
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568435 35697150-7ecd-e111-bb59-0022644237b5
* science/py-abipy: Update 0.8.0 -> 0.9.0yuri2021-03-15
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568434 35697150-7ecd-e111-bb59-0022644237b5
* science/shelxle: Update 1.0.1229 -> 1.0.1231yuri2021-03-14
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568365 35697150-7ecd-e111-bb59-0022644237b5
* science/votca: Update 1.6.3 -> 2021yuri2021-03-14
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568364 35697150-7ecd-e111-bb59-0022644237b5
* science/molsketch: Update 0.7.0 -> 0.7.1yuri2021-03-12
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568212 35697150-7ecd-e111-bb59-0022644237b5
* Upgrade to v2021.3.0.thierry2021-03-12
| | | | | | | | Release notes at <https://github.com/fekad/jupyter-jsmol/releases/tag/v2021.3.0>. git-svn-id: http://svn.freebsd.org/ports/head@568190 35697150-7ecd-e111-bb59-0022644237b5
* - Update math/glm to 0.9.9.8amdmi32021-03-12
| | | | git-svn-id: http://svn.freebsd.org/ports/head@568184 35697150-7ecd-e111-bb59-0022644237b5
* science/py-gsd: Update 2.4.0 -> 2.4.1yuri2021-03-12
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568160 35697150-7ecd-e111-bb59-0022644237b5
* science/afni: update to 21.0.16fernape2021-03-12
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568145 35697150-7ecd-e111-bb59-0022644237b5
* science/py-moltemplate: Update 2.19.6 -> 2.19.7yuri2021-03-11
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568109 35697150-7ecd-e111-bb59-0022644237b5
* science/afni: update to 21.0.15fernape2021-03-11
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@568069 35697150-7ecd-e111-bb59-0022644237b5
* science/lammps: Update 10Feb2021 -> 10Mar2021yuri2021-03-11
| | | | | | | Reported by: GH release notification git-svn-id: http://svn.freebsd.org/ports/head@568061 35697150-7ecd-e111-bb59-0022644237b5
* science/py-pymatgen: Update 2022.0.3 -> 2022.0.4yuri2021-03-10
| | | | git-svn-id: http://svn.freebsd.org/ports/head@567983 35697150-7ecd-e111-bb59-0022644237b5
* science/thermofun: Update 0.3.6 -> 0.3.7yuri2021-03-09
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@567960 35697150-7ecd-e111-bb59-0022644237b5
* science/afni: update to 21.0.14fernape2021-03-09
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@567907 35697150-7ecd-e111-bb59-0022644237b5
* science/gromacs: Update 2021 -> 2021.1yuri2021-03-09
| | | | git-svn-id: http://svn.freebsd.org/ports/head@567890 35697150-7ecd-e111-bb59-0022644237b5
* science/rdkit: Add PGSQL option to build the PostgreSQL cartridgeyuri2021-03-08
| | | | | | | Also fix build with DOCS=OFF git-svn-id: http://svn.freebsd.org/ports/head@567856 35697150-7ecd-e111-bb59-0022644237b5
* PyQt5: Update PyQt5 to 5.15.3, QScintilla2 to 2.12.0, py-qtbuilder to 1.9.0lbartoletti2021-03-08
| | | | | | | | | | | | | | | | | | | | | | | | | | * PyQt5: update to 5.15.3 This is a minor feature and bug-fix release. There are corresponding releases of the other PyQt5-related packages. - Added the missing QImage.setAlphaChannel(). - Support for the QtNetworkAuth library has been moved to a separate PyQtNetworkAuth package. - Wheels no longer bundle the corresponding Qt libraries and instead automatically install them from an external wheel. * QScintilla2: update to 2.12.0 This adds support for Qt6 and removes support for Qt4. - Change the new distname (again)i due to a conflict - Use the new sip-build system * devel/py-qtbuilder: update to 1.9.0 * devel/py-sip: fix flavor for sip-distinfo PR: 253865 Exp-run by: antoine git-svn-id: http://svn.freebsd.org/ports/head@567825 35697150-7ecd-e111-bb59-0022644237b5
* Fix PLIST with hardcoded python versionsunpoet2021-03-07
| | | | | | | Approved by: portmgr (blanket) git-svn-id: http://svn.freebsd.org/ports/head@567788 35697150-7ecd-e111-bb59-0022644237b5
* Use shared OPENMPI_DESCsunpoet2021-03-07
| | | | git-svn-id: http://svn.freebsd.org/ports/head@567787 35697150-7ecd-e111-bb59-0022644237b5
* Update to 2.7.3sunpoet2021-03-07
| | | | | | | | | - Sort RUN_DEPENDS Changes: https://github.com/asdf-format/asdf/releases git-svn-id: http://svn.freebsd.org/ports/head@567698 35697150-7ecd-e111-bb59-0022644237b5
* Simplify Makefilesunpoet2021-03-07
| | | | | | | | - Use shared OPENMPI_DESC - Remove OPENMPI3 option git-svn-id: http://svn.freebsd.org/ports/head@567626 35697150-7ecd-e111-bb59-0022644237b5
* Update to 2.43sunpoet2021-03-07
| | | | | | | Changes: https://github.com/cjlin1/liblinear/commits/master git-svn-id: http://svn.freebsd.org/ports/head@567625 35697150-7ecd-e111-bb59-0022644237b5
* Bump PORTREVISION for devel/grpc shlib changesunpoet2021-03-07
| | | | git-svn-id: http://svn.freebsd.org/ports/head@567615 35697150-7ecd-e111-bb59-0022644237b5
* science/jmol: Update 14.31.29 -> 14.31.34yuri2021-03-07
| | | | git-svn-id: http://svn.freebsd.org/ports/head@567594 35697150-7ecd-e111-bb59-0022644237b5
* science/qbox: Remove unnecessary gcc link flags because the project builds ↵yuri2021-03-07
| | | | | | | | | with clang Reported by: Gerald Pfeifer <gerald@pfeifer.com> git-svn-id: http://svn.freebsd.org/ports/head@567536 35697150-7ecd-e111-bb59-0022644237b5
* science/pagmo2: Update 2.16.1 -> 2.17.0yuri2021-03-06
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@567505 35697150-7ecd-e111-bb59-0022644237b5
* science/py-pymatgen: Fix packaging with Python 3.8kai2021-03-06
| | | | | | | | | | * Apply the same fix as in r559094 by stripping libraries by wildcard paths. PR: 253815 Approved by: python (with hat) git-svn-id: http://svn.freebsd.org/ports/head@567490 35697150-7ecd-e111-bb59-0022644237b5
* science/py-pymatgen: Update 2021.3.3 -> 2022.0.3yuri2021-03-06
| | | | | | | Reported by: portscout git-svn-id: http://svn.freebsd.org/ports/head@567473 35697150-7ecd-e111-bb59-0022644237b5
* science/py-pymatgen: Update 2021.2.16 -> 2021.3.3yuri2021-03-05
| | | | git-svn-id: http://svn.freebsd.org/ports/head@567414 35697150-7ecd-e111-bb59-0022644237b5
* science/afni: Update to 21.0.13nc2021-03-05
| | | | git-svn-id: http://svn.freebsd.org/ports/head@567366 35697150-7ecd-e111-bb59-0022644237b5