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* Use the release tag instead of commit hashSunpoet Po-Chuan Hsieh2020-10-102-10/+6
* science/nwchem: Update 7.0.0 -> 7.0.1Yuri Victorovich2020-10-094-22/+9
* science/nwchem-data: Update 7.0.0 -> 7.0.1Yuri Victorovich2020-10-093-5/+5
* New port: science/axom: Infrastructure for development of multi-physics appli...Yuri Victorovich2020-10-096-0/+277
* New port: science/conduit: Simplified data exchange for HPC simulationsYuri Victorovich2020-10-086-0/+133
* - Update to 2.0.0Wen Heping2020-10-072-5/+5
* science/libcint: Update 4.0.1 -> 4.0.2Yuri Victorovich2020-10-052-4/+4
* Update PyQt to 5.15.0, py-sip to 4.19.24 and qscintilla2 to 2.11.5Loïc Bartoletti2020-10-052-1/+2
* science/py-qcengine: Update 0.16.0 -> 0.17.0Yuri Victorovich2020-10-042-4/+4
* science/py-qcelemental: Update 0.16.0 -> 0.17.0Yuri Victorovich2020-10-042-4/+4
* science/libcint: Update 3.1.1 -> 4.0.1Yuri Victorovich2020-10-042-4/+4
* science/afni: update to 20.3.00Fernando Apesteguía2020-10-042-4/+4
* science/jmol: Update 14.31.8 -> 14.31.9Yuri Victorovich2020-10-032-4/+4
* Update to 4.3.3Sunpoet Po-Chuan Hsieh2020-10-022-4/+4
* science/afni: update to 20.2.19Fernando Apesteguía2020-09-303-4/+5
* science/jmol: Update 14.31.7 -> 14.31.8Yuri Victorovich2020-09-292-4/+4
* science/py-moltemplate: Update 2.18.3 -> 2.18.6Yuri Victorovich2020-09-292-4/+4
* science/py-openpiv: update to 0.22.3Max Brazhnikov2020-09-282-4/+4
* science/silo: Backport of patches from Debian to support Python 3Danilo G. Baio2020-09-274-2/+826
* Force to rebuild after math/matio updateMax Brazhnikov2020-09-261-1/+1
* science/qbox: Update 1.71.5 -> 1.72.0Yuri Victorovich2020-09-252-4/+4
* science/hypre: Update 2.19.0 -> 2.20.0Yuri Victorovich2020-09-253-5/+7
* - Update to 4.2.0Wen Heping2020-09-252-7/+7
* Clean up some thingsTobias Kortkamp2020-09-241-2/+2
* science/qbox: Update 1.71.4 -> 1.71.5Yuri Victorovich2020-09-242-4/+4
* science/py-phonopy: Update 2.7.1 -> 2.8.0Yuri Victorovich2020-09-242-4/+4
* science/jmol: Update 14.31.6 -> 14.31.7Yuri Victorovich2020-09-232-4/+4
* Fix compilation on i386Mateusz Piotrowski2020-09-222-0/+12
* Update to 0.59 (latest commit)Mateusz Piotrowski2020-09-224-30/+33
* science/afni: update to 20.2.18Fernando Apesteguía2020-09-222-4/+4
* science/jmol: Update 14.31.4 -> 14.31.6Yuri Victorovich2020-09-212-4/+4
* science/luscus: Fix build on 13Yuri Victorovich2020-09-211-0/+2
* science/xcrysden: Fix build on 13 by adding -fcommonYuri Victorovich2020-09-211-0/+2
* science/chemtool: Fix build on 13 by adding -fcommonYuri Victorovich2020-09-201-0/+2
* science/gabedit: Update 2.5.1-061218 -> 2.5.1-300720; Fix build on 13Yuri Victorovich2020-09-203-10/+9
* science/xtb: update to 6.3.3Johannes M Dieterich2020-09-203-9/+11
* - Fix buildWen Heping2020-09-202-2/+10
* science/py-pygmo2: Update 2.15.0-121 -> 2.15.0-139Yuri Victorovich2020-09-192-5/+5
* science/py-pygmo2: Fix build thatwas failing because of the missing headerYuri Victorovich2020-09-191-0/+2
* science/pagmo2: Update 2.15.0-95 -> 2.15.0-102Yuri Victorovich2020-09-192-5/+5
* Use local patch file instead of PATCHFILESSunpoet Po-Chuan Hsieh2020-09-194-6/+115
* Unbreak bulk -aAntoine Brodin2020-09-199-11/+10
* Remove expired ports:Rene Ladan2020-09-1914-2862/+0
* science/lammps: Update 24Aug2020 -> 18Sep2020Yuri Victorovich2020-09-192-4/+4
* science/jmol: Update 14.31.3 -> 14.31.4Yuri Victorovich2020-09-142-4/+4
* New port: science/py-geometric: Geometry optimization for quantum chemistryYuri Victorovich2020-09-134-0/+36
* science/py-qcengine: Update 0.10.0 -> 0.16.0Yuri Victorovich2020-09-132-7/+7
* science/py-qcelemental: Update 0.12.0 -> 0.16.0Yuri Victorovich2020-09-132-6/+5
* Upgrade to v6.1.2 (6.2.0 is still an intermediate release).Thierry Thomas2020-09-132-4/+4
* Upgrade to v4.1.2 and add a test target.Thierry Thomas2020-09-132-4/+8
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