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* New port: science/latte: Quantum chemistry: Density functional tight binding ...Yuri Victorovich2018-10-314-0/+60
* - Add LICENSEDmitry Marakasov2018-10-301-0/+3
* science/chemps2: Update 1.8.8 -> 1.8.9Yuri Victorovich2018-10-302-4/+4
* science/py-gpaw: Add pkg-message; Add LICENSE_FILE; Change /usr/local to LOCA...Yuri Victorovich2018-10-302-1/+12
* New port: science/gpaw-setups: Setups (data files) for py-gpaw, the DFT quant...Yuri Victorovich2018-10-304-0/+38
* Fix typo in previous commit.Mark Linimon2018-10-291-1/+1
* science/py-chempy: Update 0.7.5 -> 0.7.6Yuri Victorovich2018-10-292-7/+10
* science/bagel: Update 1.1.2-21 -> 1.2.0Yuri Victorovich2018-10-282-6/+4
* Fix build with GCC-based architectures.Mark Linimon2018-10-281-1/+1
* science/kalzium-kde4: Fix buildYuri Victorovich2018-10-284-5/+71
* Fix build with GCC-based architectures for various kde@ ports.Tobias C. Berner2018-10-271-1/+6
* New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generationYuri Victorovich2018-10-255-0/+53
* New port: science/maeparser: Parser for Schrodinger Maestro filesYuri Victorovich2018-10-255-0/+40
* science/rdkit: Update 2018_03_4 -> 2018_09_1Yuri Victorovich2018-10-255-16/+90
* - Update to 3.0.3.Stephen Montgomery-Smith2018-10-242-4/+4
* science/avogadro: Add CONFLICTS statementYuri Victorovich2018-10-241-0/+2
* New port: science/molsketch: 2D molecule editorYuri Victorovich2018-10-249-0/+191
* New port: science/erkale: Quantum chemistry program to solve the electronic s...Yuri Victorovich2018-10-216-0/+156
* New port: science/py-avogadrolibs: Python bindings for Avogadro2 chemistry li...Yuri Victorovich2018-10-215-0/+55
* science/libxc: Update 3.0.0 -> 4.2.3Yuri Victorovich2018-10-2012-30/+37
* science/avogadro: Update 1.1.1 -> 1.2.0Yuri Victorovich2018-10-2010-92/+157
* science/chemtool: fix build with GCC-based architecturesYuri Victorovich2018-10-201-1/+1
* science/PETSc: Update 3.10.1 -> 3.10.2Yuri Victorovich2018-10-202-4/+4
* science/py-chempy: Update 0.7.4 -> 0.7.5Yuri Victorovich2018-10-202-4/+4
* science/hypre: Update 2.15.0 -> 2.15.1Yuri Victorovich2018-10-202-5/+5
* science/simlib: Update 3.02 -> 3.06Yuri Victorovich2018-10-193-18/+8
* science/py-chempy: Update 0.7.3 -> 0.7.4Yuri Victorovich2018-10-192-4/+4
* science/py-scikit-fuzzy: Update 0.3.1 -> 0.4.0Yuri Victorovich2018-10-192-5/+4
* science/avogadrolibs: Update 1.91.0 -> 1.91.0-107Yuri Victorovich2018-10-189-51/+11
* science/metaphysicl: Update 0.3.0.1 -> 0.3.1Yuri Victorovich2018-10-182-4/+4
* New port: science/mmtf: C++ implementation of the MMTF API, decoder and encoderYuri Victorovich2018-10-185-0/+72
* Sscience/luscus: Update 0.8.5 -> 0.8.6Yuri Victorovich2018-10-183-5/+4
* science/cgnslib: Update to 3.3.1 and modernizeJoseph Mingrone2018-10-1810-86/+58
* science/py-PyFR: Update 1.7.6 -> 1.8.0Yuri Victorovich2018-10-172-5/+4
* science/py-phonopy: Fix testsYuri Victorovich2018-10-171-2/+2
* science/avogadrolibs: Add optionsYuri Victorovich2018-10-172-142/+182
* New port: science/avogadro2: Chemical editor and visualization applicationYuri Victorovich2018-10-174-0/+58
* New port: science/avogadrolibs: Avogadro2 libraries for chemical editor and v...Yuri Victorovich2018-10-1712-0/+351
* New port: science/libmsym: Molecular point group symmetry libraryYuri Victorovich2018-10-165-0/+49
* science/gamess-us: Cosmetic change: internal version number change to 00 for ...Yuri Victorovich2018-10-152-3/+8
* New port: science/wxmacmolplt: Graphical user interface principally for the G...Yuri Victorovich2018-10-145-0/+84
* science/gamess-us: Add math library selection optionsYuri Victorovich2018-10-142-2/+48
* Re-add port: science/gamess-us: General Atomic and Molecular Electronic Struc...Yuri Victorovich2018-10-1414-0/+729
* - Update pkg-descrWen Heping2018-10-131-8/+2
* Fix packaging with python 3.xAntoine Brodin2018-10-121-105/+105
* science/py-MDAnalysisTests: Update 0.18.0 -> 0.19.0Yuri Victorovich2018-10-122-4/+4
* science/py-MDAnalysis: Update 0.18.0 -> 0.19.0Yuri Victorovich2018-10-122-4/+4
* Update to 1.1.2Sunpoet Po-Chuan Hsieh2018-10-112-5/+5
* Update KDE Applications to 18.08.2Tobias C. Berner2018-10-112-6/+6
* Update devel/tbb to version 2019.1 and bump dependent ports' revisionsGanael LAPLANCHE2018-10-111-1/+1
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