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* Update to 4.1.2sunpoet2019-06-103-4/+5
* science/lammps: Add the PORTSCOUT=ignore lineyuri2019-06-091-0/+2
* New port: science/smoldyn: Biochemical simulator for molecular diffusion, sur...yuri2019-06-094-0/+41
* science/nifticlib: fix buildpkubaj2019-06-091-0/+1
* science/afni: Upgrade to 19.1.18jwb2019-06-092-4/+4
* science/nwchem: Update 6.8.1.20190509 -> 6.8.1.20190606yuri2019-06-082-6/+6
* Update to 0.9.1sunpoet2019-06-082-4/+4
* science/lammps: Update 31May2019 -> 5Jun2019yuri2019-06-072-4/+4
* science/jmol: Update 14.29.42 -> 14.29.46yuri2019-06-072-4/+4
* Update KDE Applications to 19.04.2tcberner2019-06-072-6/+6
* - Update to 1.7-1tota2019-06-022-5/+4
* - Update devel/gdcm to 3.0.0.stephen2019-06-021-1/+1
* science/afni: Upgrade to 19.1.14jwb2019-06-014-41/+14
* science/py-qcelemental: Update 0.4.0 -> 0.4.1yuri2019-06-012-4/+4
* science/lammps: Update 15May2019 -> 31May2019yuri2019-06-012-4/+4
* Chase devel/openmp expirationantoine2019-05-283-0/+8
* science/py-rmsd: Fix licenseyuri2019-05-271-2/+1
* New port: science/opensph: Library and graphical tools for running SPH and N-...yuri2019-05-268-0/+163
* Update to 4.1.1sunpoet2019-05-262-4/+4
* Update to 2.12.5sunpoet2019-05-263-5/+8
* Add py-eccodes-python 0.9.0sunpoet2019-05-264-0/+43
* science/py-GPy: Fix build by explicitly setting the path to libomp.so in xx_D...yuri2019-05-241-3/+4
* science/afni: Upgrade to 19.1.10jwb2019-05-225-6/+55
* science/wxmacmolplt: fix build with GCC-based architecturespkubaj2019-05-211-1/+2
* science/afni: Upgrade to 19.1.08jwb2019-05-2110-479/+702
* Switch to Python 3.6 and upgrade to v5.3.3.thierry2019-05-203-585/+584
* science/py-phono3py: Fix build on 12/13 (broken due to missing libgomp.so); A...yuri2019-05-201-5/+5
* science/abinit: Fix libomp.so in LDFLAGS (this also might fix the breakage on...yuri2019-05-191-1/+1
* science/dftbplus: Fix libomp.so in LDFLAGS (this also might fix the breakage ...yuri2019-05-191-1/+1
* science/py-phono3py: Unbreak on 13: /usr/lib/libomp.so conflicting with the '...yuri2019-05-191-1/+1
* science/gabedit: Unbreak on 13: /usr/lib/libomp.so conflicting with the 'open...yuri2019-05-191-1/+1
* science/py-GPy: Unbreak on 13: /usr/lib/libomp.so conflicting with the 'openm...yuri2019-05-191-1/+1
* science/openmx: Unbreak on 13: /usr/lib/libomp.so conflicting with the 'openm...yuri2019-05-191-1/+1
* science/esys-particle: Broken on 13-CURRENTyuri2019-05-191-1/+3
* science/chrono: Broken on i386yuri2019-05-191-1/+3
* science/nest: Broken on i386yuri2019-05-191-0/+2
* science/py-paramz: Update 0.9.4 -> 0.9.5yuri2019-05-182-4/+4
* New port: science/libvdwxc: Van der Waals density functional (DFT) libraryyuri2019-05-185-0/+51
* New port: science/simgrid: Simulator of the behavior of large-scale distribut...yuri2019-05-176-0/+178
* science/lammps: Update patch_30Apr2019 -> patch_15May2019yuri2019-05-153-11/+7
* science/py-qcelemental: Update 0.3.3 -> 0.4.0yuri2019-05-152-4/+4
* - Update to 0.20.3wen2019-05-142-5/+4
* science/hypre: Update 2.15.1 -> 2.16.0yuri2019-05-133-11/+9
* science/nest: Update 2.14.0-2100 -> 2.16.0yuri2019-05-123-164/+10
* Cleanup cython dependency.mat2019-05-121-4/+3
* science/nest: PYTHON_USE=python=cython instead of PYTHON_BUILD_DEPENDSyuri2019-05-121-1/+1
* science/coot: Fix build with GCC-based architecturesyuri2019-05-121-2/+2
* science/clipper: add USES=compiler:c++11-langpkubaj2019-05-121-1/+1
* New port: science/nest: Simulator for spiking neural network modelsyuri2019-05-128-0/+644
* science/avogadrolibs: Update 1.92.0 -> 1.92.1yuri2019-05-123-7/+6
* Those ports link against llvm's libomp.soantoine2019-05-111-1/+1
* science/opsin: Update 3.0.20190208 -> 3.0.20190223yuri2019-05-112-7/+7
* science/nwchem: Update 6.8.1.20190412 -> 6.8.1.20190509yuri2019-05-112-6/+5
* science/agrum: Update 0.14.3 -> 0.15.0yuri2019-05-103-10/+10
* science/py-gpaw: Update 1.5.1 -> 1.5.2yuri2019-05-102-5/+4
* science/luscus: fix build with GCC-based architecturespkubaj2019-05-101-1/+1
* Update KDE Applications to 19.04.1tcberner2019-05-102-6/+6
* devel/openmp: phase outjbeich2019-05-0913-9/+13
* science/py-phonopy: Update 2.0.0 -> 2.1.3yuri2019-05-082-5/+5
* science/py-phonopy: 1.13.2.107 -> 2.0.0yuri2019-05-083-6/+5
* science/py-pymatgen: Update 2019.1.24 -> 2019.2.28yuri2019-05-082-4/+4
* science/chrono: Update 2.0.0-9070 -> 4.0.0-89yuri2019-05-054-15/+162
* science/ALPSCore: Fix OPENMPI2 spelling after r500723tobik2019-05-041-1/+1
* science/harminv: Add -fPICyuri2019-05-041-4/+4
* These ports now build on aarch64.linimon2019-05-041-2/+0
* Fix the a ports that were broken but did not know it.mat2019-05-031-4/+4
* compiler.mk is unhappy if CC/CXX is defined before bsd.port.pre.mkadamw2019-05-031-3/+8
* science/apbs: Fix licenseyuri2019-05-031-2/+1
* New port: science/apbs: Electrostatic and solvation properties for complex mo...yuri2019-05-035-0/+773
* science/metaphysicl: Update 0.3.3 -> 0.5.0yuri2019-05-034-7/+8
* science/jmol: Update 14.29.40 -> 14.29.42yuri2019-05-022-4/+4
* New port: science/pagmo2: Platform to perform parallel computations of optimi...yuri2019-05-015-0/+216
* science/lammps: Update patch_29Mar2019 -> patch_30Apr2019yuri2019-05-013-5/+16
* Update to 4.7.0sunpoet2019-05-013-8/+6
* science/libint: Update 1-2-1 -> 1-2-1-15yuri2019-04-292-5/+5
* science/gromacs: Broken on i386yuri2019-04-281-0/+2
* science/jmol: Update to 14.29.38 -> 14.29.40yuri2019-04-282-4/+4
* science/ALPSCore: fix build with GCC-based architecturespkubaj2019-04-271-1/+1
* science/massxpert: fix build with GCC-based architecturespkubaj2019-04-271-1/+1
* Clean up plistantoine2019-04-251-307/+307
* science/chrono: fix build with GCC-based architecturesyuri2019-04-251-1/+11
* Fix on head by setting LLD_UNSAFE:thierry2019-04-251-1/+2
* science/sparta: fix build with GCC-based architecturesyuri2019-04-251-2/+2
* science/sparta: Update 15Feb2019 -> 16Apr2019yuri2019-04-252-4/+4
* Related to revision 499061 bump ports with USES=fortran to have themgerald2019-04-2282-63/+82
* science/jmol: Update 14.29.37 -> 14.29.38yuri2019-04-222-4/+4
* - Update to 3.1.0.stephen2019-04-223-5/+16
* science/kst2:makc2019-04-223-12/+19
* science/qbox: Update 1_66_3 -> 1_67_1yuri2019-04-202-4/+4
* science/gromacs: Update 2019.1 -> 2019.2yuri2019-04-202-5/+5
* science/jmol: Update 14.29.36 -> 14.29.37yuri2019-04-202-4/+4
* Update to 0.112sunpoet2019-04-202-4/+4
* Update to 4.1sunpoet2019-04-193-22/+29
* Update KDE Applications to 19.04.0tcberner2019-04-193-7/+6
* science/py-GPy does not support 3.6.mat2019-04-151-1/+1
* These ports now build on powerpc64.linimon2019-04-151-2/+0
* science/py-chempy: Update 0.7.7 -> 0.7.8yuri2019-04-152-5/+4
* science/nwchem: Update 6.8.1.20190403 -> 6.8.1.20190412yuri2019-04-142-5/+5
* Update to 0.111sunpoet2019-04-142-5/+6
* science/erkale: Update g20190318 -> g20190412yuri2019-04-142-5/+5
* science/jmol: Update 14.29.34 -> 14.29.36yuri2019-04-132-4/+4
* devel/boost-*: update to 1.70.0jbeich2019-04-1217-11/+17
* Bump a few PORTREVISIONs after r498529antoine2019-04-1014-7/+14
* science/cp2k: fix build with GCC-based architecturesyuri2019-04-101-1/+1
* Update devel/readline to 8.0sunpoet2019-04-093-3/+3
* science/quantum-espresso: Update 6.4 -> 6.4.1yuri2019-04-092-4/+4
* science/octopus: Update 8.3 -> 8.4yuri2019-04-072-5/+4
* science/py-spglib: Update 1.12.0 -> 1.12.2yuri2019-04-072-5/+5
* science/jmol: Update 14.29.32 -> 14.29.34yuri2019-04-072-4/+4
* science/scidavis: Update to 2.0.1makc2019-04-073-21/+4
* - bump PORTREVISION after math/matio updatemakc2019-04-071-1/+1
* science/cp2k: Supply the data directory needed for computation ; Change to Gi...yuri2019-04-072-7/+10
* New port: science/cp2k-data: Data for cp2k quantum chemistry packageyuri2019-04-075-0/+173
* science/nwchem: Update 6.8.1.20190319 -> 6.8.1.20190403yuri2019-04-062-5/+5
* - Document incompatibility with python 3.7+amdmi32019-04-061-1/+1
* Update to 2.0.1sunpoet2019-04-062-4/+4
* Update to 2.3.3sunpoet2019-04-062-4/+4
* Update to 1.10.5sunpoet2019-04-063-19/+14
* - Document incompatibility with python 3.7+amdmi32019-04-061-1/+1
* Remove bogus dependency, agrum links against libomp from llvmantoine2019-04-041-1/+0
* science/agrum: Correct the previous update: it didn't have the GL_COMMIT hash...yuri2019-04-043-19/+11
* science/agrum: 0.14.1 -> 0.14.3yuri2019-04-041-2/+2
* science/coot: Update 0.8.9.1 -> 0.8.9.2yuri2019-04-034-9/+37
* science/metaf2xml: Drop nop USE_PERL5=installtobik2019-04-021-1/+1
* science/vipster: Update 1.15b -> 1.16byuri2019-04-012-5/+5
* science/lammps: Update 28Feb2019 -> 29Mar2019yuri2019-04-012-5/+4
* Update devel/protobuf to 3.7.1sunpoet2019-03-312-1/+2
* New port: science/py-qcengine: Quantum chemistry program executor and IO stan...yuri2019-03-314-0/+42
* New port: science/py-qcelemental: Essentials for quantum chemistryyuri2019-03-314-0/+39
* science/py-scikit-fuzzy: Update 0.4.0 -> 0.4.1yuri2019-03-312-5/+4
* science/rdkit: Update 2018.09.2 -> 2018.09.3yuri2019-03-312-4/+4
* science/qmcpack: Update 3.6.0 -> 3.7.0yuri2019-03-313-17/+7
* science/jdftx: Fix OCTAVE optionyuri2019-03-311-2/+2
* science/qbox: Update 1.66.2 -> 1.66.3yuri2019-03-312-5/+4
* science/jmol: Update 14.29.31 -> 14.29.32yuri2019-03-313-6/+5
* Update science/dlib-cpp and science/py-dlib to 19.17.arrowd2019-03-304-13/+8
* Mark broken on armv*:linimon2019-03-301-0/+3
* Mark broken on aarch64:linimon2019-03-301-0/+2
* Mark as broken on aarch64: fails to configure:linimon2019-03-301-0/+1
* Mark as broken on aarch64:linimon2019-03-301-0/+2
* Drop USES=geckojbeich2019-03-301-2/+1
* math/libqalculate: Update to 3.0.0jhale2019-03-291-0/+1
* - Update to 0.9.4wen2019-03-252-4/+4
* science/erkale: Update g20190118 -> g20190318yuri2019-03-212-6/+5
* science/libcint: Update 3.0.14 -> 3.0.15yuri2019-03-212-5/+5
* Switch to devel/llvm80 for DEFAULT_VERSIONSjbeich2019-03-203-1/+3
* science/nwchem: Update 6.8.1.20190314 -> 6.8.1.20190319yuri2019-03-202-5/+8
* science/molsketch: Update 0.5.2 -> 0.6.0yuri2019-03-195-34/+8
* Re-add science/py-veusz: the latest version builds with Qt5yuri2019-03-185-0/+52
* Add py-geometer 0.1.2sunpoet2019-03-184-0/+46
* science/lammps: Update 12Dec2018 -> 28Feb2019yuri2019-03-183-4/+5
* science/nwchem: 6.8.1.20190222 (d8ac0a182) -> 6.8.1.20190314 (b959e5ee0)yuri2019-03-172-5/+5
* Qt4 deprecation: Remove Qt4 and its consumes.tcberner2019-03-1739-2940/+0
* science/libgeodecomp: remove QT4 option (Qt4 drpecation)tcberner2019-03-171-13/+2
* science/kst2: remove QT4/QT5 options (Qt4 deprecation)tcberner2019-03-171-24/+6
* science/py-gsd: Update 1.6.0 -> 1.6.1yuri2019-03-172-4/+4
* science/sparta: Update 29Oct2018 -> 15Feb2019yuri2019-03-172-5/+6
* science/tinker: Update 8.5.3 -> 8.6.1yuri2019-03-163-17/+18
* science/silo: remove QT4 option (Qt4 deprecation)tcberner2019-03-162-18/+1
* science/coordgenlibs: Update 1.2.1 -> 1.2.2yuri2019-03-163-5/+5
* Remove unused USE_PYTHON values.mat2019-03-131-1/+1
* Fix build on gcc-based architectures:linimon2019-03-131-2/+3
* Fix build on gcc-based architectures:linimon2019-03-131-1/+1
* Fix build on gcc-based architectures:linimon2019-03-131-3/+2
* - Update devel/gdcm to 2.8.9.stephen2019-03-101-1/+1
* science/massxpert: Update 3.4.0 -> 3.6.1yuri2019-03-108-93/+52
* Update to 2.0.1sunpoet2019-03-092-4/+4
* Update KDE Applications to 18.12.3tcberner2019-03-082-6/+6
* Remove expired ports:rene2019-03-0713-536/+0
* - Upgrade science/cgnslib to 3.4.0thierry2019-03-077-57/+17
* science/dvc: Update 0.30.0 -> 0.30.1yuri2019-03-062-4/+4
* science/quantum-espresso: Update 6.3 -> 6.4yuri2019-03-064-27/+19
* Update devel/doxygen to 1.8.15antoine2019-03-062-3/+1
* science/hypre: unbreak with libc++ 8jbeich2019-03-051-0/+5
* science/wxmacmolplt: Unbreak, it was crashing with WX-3.1yuri2019-03-031-1/+2
* science/dvc: Update 0.29.0 -> 0.30.0yuri2019-03-032-4/+4
* science/abinit: Broken on i386yuri2019-03-031-0/+1
* Update science/netcdf to 4.6.3sunpoet2019-03-0317-16/+22
* Upgrade to 5.3.2.thierry2019-03-033-38/+42
* science/coordgenlibs: Update 1.2 -> 1.2.1yuri2019-03-023-6/+5
* science/maeparser: Update 1.0.1 -> 1.1yuri2019-03-023-6/+8
* - Update to 1.1.1wen2019-02-282-5/+4
* science/qbox: fix build on powerpc*yuri2019-02-282-1/+26
* science/py-lifelines: update to 0.19.5rm2019-02-282-5/+7
* - Add USES=compiler:c11 to fix build on GCC architectures;thierry2019-02-281-4/+4
* science/p5-Mcstas-Tools: Merge {do,post}-installtobik2019-02-271-2/+0
* science/p5-Mcstas-Tools: Update to 2.5tobik2019-02-273-41/+56
* science/abinit: Add the 'test' targetyuri2019-02-271-0/+3
* science/abinit: Add OPENMP and MPI optionsyuri2019-02-271-1/+15
* science/nwchem: Update 6.8.1.20190125 -> 6.8.1.20190222yuri2019-02-262-7/+6
* Unmark as broken now that wxgtk31 is hooked into the frameworkbapt2019-02-251-2/+0
* wxGTK3.0: switch to gtk3 and webkit2bapt2019-02-252-1/+3
* science/vipster: Update 1.14.1a -> 1.15byuri2019-02-253-41/+51
* Update to 2.0.0sunpoet2019-02-252-4/+4
* Update to 2.1.1sunpoet2019-02-252-7/+7
* science/dlib-cpp and science/py-dlib: Update to 19.16.arrowd2019-02-245-15/+30
* science/py-quantities: Update 0.12.2 -> 0.12.3yuri2019-02-242-5/+4
* science/rdkit: Update 2018_09_1 -> 2018_09_2yuri2019-02-232-5/+4
* Update to 1.2.0sunpoet2019-02-233-7/+6
* Backout r493559bapt2019-02-221-1/+1
* Remove USE_GNOME=gnomemimedata which wasn't doing anything anymorebapt2019-02-221-1/+1
* science/abinit: Update 8.10.2 -> 8.10.3yuri2019-02-222-4/+4
* science/dvc: Update 0.28.2 -> 0.29.0yuri2019-02-222-4/+4
* science/mcstas-comps: Update to 2.5 and unbreakkai2019-02-213-37/+275
* Update to 2.3.2sunpoet2019-02-212-4/+4
* Update to 2.12.0sunpoet2019-02-203-6/+29
* New port: science/dvc: Git for data scientists: manage code and data togetheryuri2019-02-194-0/+55
* Update to 1.37sunpoet2019-02-182-4/+4
* Update WWWsunpoet2019-02-181-1/+1
* science/pcmsolver: Update 1.2.2 -> 1.2.3yuri2019-02-172-4/+4
* science/gromacs: Update 2019 -> 2019.1yuri2019-02-172-4/+4
* science/libgridxc: Update 0.8.4 -> 0.8.5yuri2019-02-172-5/+4
* Update to 1.5.0sunpoet2019-02-172-4/+4
* science/openstructure: python:2.7 for nowyuri2019-02-171-2/+2
* Remove bogus dependency, erkale links against libomp from llvmantoine2019-02-161-1/+0
* Remove bogus dependency, agrum links against libomp from llvm portantoine2019-02-161-1/+0
* Unbreak INDEXantoine2019-02-161-1/+1
* Move: science/mmtf -> science/mmtf-cppyuri2019-02-166-5/+5
* science/agrum: Fix warning messages of 'make describe'yuri2019-02-142-3/+5
* New port: science/opsin: Open Parser for Systematic IUPAC Nomenclature of che...yuri2019-02-145-0/+79
* - Update to 1.2.2wen2019-02-142-4/+4
* science/jmol: Add the executable jmoldata for headless operationyuri2019-02-132-5/+12
* Re-add: science/jmol: Java 3D viewer for chemical structuresyuri2019-02-135-0/+84
* New port: science/molscript: Display 3D molecules in schematic and detailed r...yuri2019-02-138-0/+190
* Update to 1.0.4sunpoet2019-02-133-8/+8
* science/py-pymol: Update 2.2.0 -> 2.3.0yuri2019-02-125-28/+24
* science/mmtf: Update g20180730 -> 1.0.0yuri2019-02-123-7/+6
* science/gabedit: Update 2.5.0 -> 2.5.1yuri2019-02-112-9/+10
* science/healpix: fix build with GCC-based architecturesyuri2019-02-111-1/+1
* science/spglib: 1.11.2.1 -> 1.12.2yuri2019-02-102-4/+4
* science/agrum: Update 0.13.6 -> 0.14.1yuri2019-02-103-15/+26
* science/abinit: Update 8.8.4 -> 8.10.2yuri2019-02-102-5/+4
* Update to 1.9.6sunpoet2019-02-102-10/+12
* New port: science/py-oddt: Open Drug Discovery Toolkityuri2019-02-104-0/+37
* Update KDE Applications to 18.12.2tcberner2019-02-084-8/+6
* science/paraview: update to 5.6.0fernape2019-02-085-357/+558
* Update WWWsunpoet2019-02-051-1/+1
* Update PORTSCOUTsunpoet2019-02-051-1/+1
* Update to 1.9.0sunpoet2019-02-053-7/+8
* Update PORTSCOUTsunpoet2019-02-051-2/+3
* py-abipy is not compatible with python2antoine2019-02-051-1/+1
* science/py-pymatgen: python-3 onlyyuri2019-02-051-1/+1
* science/py-pymatgen: Update 2018.10.18 -> 2019.1.24yuri2019-02-052-4/+5
* science/gramps: Update to 5.0.1woodsb022019-02-043-32/+7
* Deprecate ports broken for more than 6 monthsantoine2019-02-042-0/+4
* Move Objective-C ports to the v2 GNUstep ABI.theraven2019-02-033-3/+3
* science/ALPSCore: Mark broken on i386tobik2019-02-031-1/+3
* science/pcmsolver: Update 1.2.1 -> 1.2.2yuri2019-01-312-5/+4
* science/py-spglib: Update 1.11.1 -> 1.12.0yuri2019-01-312-5/+4
* New port: science/healpix: Software for pixelization, visualization, etc of d...yuri2019-01-286-0/+105
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