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* New port: science/quantum-espresso-pseudopotentials: Pseudopotentials for use...yuri2018-11-221-0/+1
* New port: science/berkeleygw: Scientific program aimed at the ab initio virtu...yuri2018-11-201-0/+1
* New port: science/opensim-core: Software for modeling of musculoskeletal stru...yuri2018-11-161-0/+1
* New port: science/simbody: Multibody dynamics library for (bio)mechanical sys...yuri2018-11-151-0/+1
* Survival analysis in Python, including Kaplan Meier, Nelson Aalen and regressionrm2018-11-141-0/+1
* New port: science/sparta: Gas simulator: SPARTA DSMC software packageyuri2018-11-121-0/+1
* New port: science/esys-particle: Particle-based numerical modelling softwareyuri2018-11-051-0/+1
* bft, ecs, fvm, mei and ncs have been merged to code_saturne.thierry2018-11-051-5/+1
* New port: science/liggghts: Discrete element method particle simulation softwareyuri2018-11-041-0/+1
* New port: science/latte: Quantum chemistry: Density functional tight binding ...yuri2018-11-011-0/+1
* New port: science/gpaw-setups: Setups (data files) for py-gpaw, the DFT quant...yuri2018-10-301-0/+1
* New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generationyuri2018-10-251-0/+1
* New port: science/maeparser: Parser for Schrodinger Maestro filesyuri2018-10-251-0/+1
* New port: science/molsketch: 2D molecule editoryuri2018-10-241-0/+1
* New port: science/erkale: Quantum chemistry program to solve the electronic s...yuri2018-10-221-0/+1
* New port: science/py-avogadrolibs: Python bindings for Avogadro2 chemistry li...yuri2018-10-221-0/+1
* New port: science/mmtf: C++ implementation of the MMTF API, decoder and encoderyuri2018-10-191-0/+1
* New port: science/avogadro2: Chemical editor and visualization applicationyuri2018-10-171-0/+1
* New port: science/avogadrolibs: Avogadro2 libraries for chemical editor and v...yuri2018-10-171-0/+1
* New port: science/libmsym: Molecular point group symmetry libraryyuri2018-10-171-0/+1
* New port: science/wxmacmolplt: Graphical user interface principally for the G...yuri2018-10-151-0/+1
* Re-add port: science/gamess-us: General Atomic and Molecular Electronic Struc...yuri2018-10-141-0/+1
* New port: science/simint: Obara-Saika (OS) method of calculating electron rep...yuri2018-10-081-0/+1
* New port: science/molgif: Tool to create GIF animations of moleculesyuri2018-10-081-0/+1
* biology/tinker: Update 7.1.3 -> 8.4.4; Move to science/yuri2018-10-071-0/+1
* New port: science/bagel: Brilliantly Advanced General Electronic-structure Li...yuri2018-09-261-0/+1
* New port: science/elk: All-electron full-potential linearised augmented-plane...yuri2018-09-231-0/+1
* New port: science/py-PyFR: Framework for solving advection-diffusion type pro...yuri2018-09-211-0/+1
* New port: science/py-chempy: Package useful useful for solving problems in ch...yuri2018-09-201-0/+1
* New port: science/luscus: Molecular editor and vieweryuri2018-09-141-0/+1
* New port: science/py-phono3py: Software to calculate phonon-phonon interactio...yuri2018-09-141-0/+1
* New port: science/py-phonopy: Package for phonon calculations at harmonic and...yuri2018-09-141-0/+1
* New port: science/py-molmod: Collection of molecular modelling tools for pythonyuri2018-09-141-0/+1
* New port: science/dftbplus: Package for performing fast atomistic simulationsyuri2018-09-131-0/+1
* New port: science/openmx: Nanoscale material simulations using density functi...yuri2018-09-121-0/+1
* New port: science/msms: Program to efficiently compute molecular surfacesyuri2018-09-101-0/+1
* New port: science/lm: Software for sampling trajectories of the reaction-diff...yuri2018-09-101-0/+1
* New port: science/namd: Computer software for molecular dynamics simulationyuri2018-09-091-0/+1
* New port: science/lammps: Classical molecular dynamics code with a focus on m...yuri2018-09-061-0/+1
* New port: science/mdynamix: General purpose molecular dynamics codeyuri2018-09-061-0/+1
* New port: science/cp2k: Quantum chemistry and solid state physics software pa...yuri2018-09-051-0/+1
* New port: science/atom: Program for DFT calculations in atomsyuri2018-09-041-0/+1
* New port: science/libgridxc: Library to compute the exchange and correlation ...yuri2018-09-041-0/+1
* Remove science/mpqc-mpich: Enable MPI option in science/mpqc by defaultyuri2018-09-041-1/+0
* New port: science/siesta: Program to perform efficient electronic structure c...yuri2018-09-041-0/+1
* New port: science/wannier90: Maximally-localized Wannier functions (MLWFs) an...yuri2018-09-031-0/+1
* New port: science/fleur: FLAPW code for atomic computations in quantum chemis...yuri2018-09-031-0/+1
* New port: science/dalton: Powerful molecular electronic structure program for...yuri2018-09-021-0/+1
* New port: science/teem: Libraries for representing, processing and visualizin...yuri2018-09-021-0/+1
* New port: science/py-gpaw: DFT and beyond within the projector-augmented wav...yuri2018-09-021-0/+1
* New port: science/py-ase: Atomic simulation environmentyuri2018-09-021-0/+1
* New port: science/jdftx: Software for joint density functional theory in chem...yuri2018-09-011-0/+1
* New port: science/qbox: First-principles molecular dynamics codeyuri2018-08-311-0/+1
* New port: science/libint2: Evaluate the integrals in modern atomic and molecu...yuri2018-08-281-0/+1
* New port: science/madness: Multiresolution adaptive numeric environment for s...yuri2018-08-271-0/+1
* New port: science/datawarrior: Chemistry-aware multi-purpose data visualizati...yuri2018-08-271-0/+1
* New port: science/multiwfn: Multifunctional wavefunction analysis for quantum...yuri2018-08-271-0/+1
* New port: science/gabedit: Graphical user interface for several chemistry sof...yuri2018-08-261-0/+1
* New port: science/octopus: Scientific program aimed at the ab initio virtual ...yuri2018-08-251-0/+1
* New port: science/nwchem: High-performance computational chemistry sotwareyuri2018-08-241-0/+1
* New port: science/qwalk: Quantum Monte Carlo package for quantum chemistry co...yuri2018-08-211-0/+1
* New port: science/qmcpack: Many-body ab initio Quantum Monte Carlo code for q...yuri2018-08-201-0/+1
* New port: science/chrono: C++ library for multi-physics simulationyuri2018-08-201-0/+1
* Re-add port: science/xdrawchem: Two-dimensional molecule drawing programyuri2018-08-091-0/+1
* Remove broken and expired port which also depends on clang38 (on 10).brooks2018-08-091-1/+0
* New port: science/xcrysden: Crystalline and molecular structure visualisation...yuri2018-07-201-0/+1
* New port: science/quantum-espresso: Package for research in electronic struct...yuri2018-07-191-0/+1
* New port: science/openstructure: Molecular modelling and visualization enviro...yuri2018-07-091-0/+1
* New port: science/coot: Crystallographic Object-Oriented Toolkityuri2018-07-081-0/+1
* New port: science/clipper: Libraries for the organisation of crystallographic...yuri2018-07-081-0/+1
* New port: science/libssm: C++ toolkit for superposition of macromoleculesyuri2018-07-081-0/+1
* New port: science/libccp4: Protein X-ray crystallography toolkityuri2018-07-081-0/+1
* New port: science/mmdb2: C++ toolkit for working with macromolecular coordina...yuri2018-07-081-0/+1
* New port: science/py-rmf: Library to support reading and writing of Rich Mole...yuri2018-07-011-0/+1
* New port: science/rmf: Library to support reading and writing of Rich Molecul...yuri2018-06-291-0/+1
* New port: science/py-ScientificPython: Various Python modules for scientific ...yuri2018-06-291-0/+1
* Add eccodes 2.8.0sunpoet2018-06-291-0/+1
* Add py-kinematics 0.0.7sunpoet2018-06-251-0/+1
* New port: science/py-SimpleSpectral: Simplified scipy.signal.spectral module ...yuri2018-06-181-0/+1
* science/Makefile: Fix sortednessyuri2018-06-181-1/+1
* New port: science/py-PyQuante: Quantum chemistry in Pythonyuri2018-06-181-0/+1
* New port: science/dft_tools: Interface to DFT codes in TRIQSyuri2018-06-171-0/+1
* New port: science/triqs: Toolbox for Research on Interacting Quantum Systemsyuri2018-06-171-0/+1
* New port: science/py-abipy: Library for analyzing the results produced by ABINITyuri2018-06-161-0/+1
* New port: science/py-pymatgen: Python Materials Genomics is a robust material...yuri2018-06-161-0/+1
* New port: science/py-spglib: Library for finding and handling crystal symmetriesyuri2018-06-161-0/+1
* New port: science/spglib: C library for finding and handling crystal symmetriesyuri2018-06-161-0/+1
* New port: science/atompaw: Tool for projector augmented wave functions for mo...yuri2018-06-141-0/+1
* Re-add port: science/abinit: Full-featured atomic-scale first-principles simu...yuri2018-06-141-0/+1
* Remove science/orthanc and dependent ports, it has expiredrene2018-06-071-4/+0
* Update lang/ghc 8.4.2 and the hs-* ports the newer versionstcberner2018-05-261-1/+0
* New port: science/py-MDAnalysisTests: Test code and the trajectory data for t...yuri2018-05-141-0/+1
* New port: science/py-MDAnalysis: Python library to analyze molecular dynamics...yuri2018-05-141-0/+1
* New port: science/py-gsd: GSD (General Simulation Data) file format for Pythonyuri2018-05-141-0/+1
* New port: science/py-mmtf-python: MMTF (Macromolecular Transmission Format) P...yuri2018-05-141-0/+1
* New port: science/mcxtrace-compspi2018-05-081-0/+1
* New ports science/dlib-cpp and science/py-dlib (Python bindings for the former)adridg2018-04-271-0/+2
* New port: science/antioch: C++ Chemical Kinetics, Thermodynaimics, and Transp...yuri2018-04-181-0/+1
* New port: science/metaphysicl: Metaprogramming, operator-overloaded classes f...yuri2018-04-181-0/+1
* fsom: Tiny C library for managing SOM (Self-Organizing Maps) neural networksjwb2018-04-171-0/+1
* New port: science/step, science/kalziumtcberner2018-04-101-0/+2
* Add rubygem-rgeo-shapefile 1.0.0sunpoet2018-04-081-0/+1
* Add rubygem-rgeo-proj4 1.0.0sunpoet2018-04-081-0/+1
* Add rubygem-rgeo-geojson 2.0.0sunpoet2018-04-081-0/+1
* Add rubygem-rgeo 1.0.0sunpoet2018-04-081-0/+1
* Add new port science/py-openpiv:makc2018-04-021-0/+1
* New port: science/py-quantities: Support for physical quantities with units, ...yuri2018-03-301-0/+1
* New port: science/libcint: General GTO integrals for quantum chemistryyuri2018-03-271-0/+1
* New port: science/py-OpenFermion: Electronic structure package for quantum co...yuri2018-03-261-0/+1
* science/siril: Move to astro/siril; Mark broken on i386; Add OPENMP categoryyuri2018-03-261-1/+0
* New port: science/py-pyosf: Python lib for synching with OpenScienceFramework...yuri2018-03-241-0/+1
* New port: science/rdkit: Collection of cheminformatics and machine-learning s...yuri2018-03-221-0/+1
* science/veusz: Unbroke; Renamed to science/py-veusz.yuri2018-03-011-1/+1
* Give the KDE SC4 applications ports a -kde4 suffixtcberner2018-02-231-2/+2
* New port: science/siril: Astronomical image processing softwareyuri2018-02-051-0/+1
* Re-added port: science/py-pymol: OpenGL based molecular visualization system ...yuri2017-12-201-0/+1
* New port: science/MOOSE-neural-simulator: Multiphysics Object Oriented Simula...yuri2017-12-201-0/+1
* New port: science/PETSc: Suite of data structures and routines from Argonne N...yuri2017-12-191-0/+1
* science/R-cran-fastICA: FastICA Algorithms to Perform ICA and Projection Pursuitdbn2017-12-181-0/+1
* New port: science/mcxtrace: Monte Carlo X-ray tracing packageyuri2017-12-061-0/+1
* Add new port science/aircraft-datcomrodrigo2017-12-041-0/+1
* New port: science/ALPSCore: Generic algorithms and utilities for condensed ma...yuri2017-12-041-0/+1
* New port: science/chemps2: Spin-adapted implementation of DMRG for ab initio ...yuri2017-11-231-0/+1
* New port: science/gdma: Anthony Stone's Gaussian Distributed Multipole Analysisyuri2017-11-181-0/+1
* New port: science/py-scoria: Lightweight molecule manipulation codebaseyuri2017-11-171-0/+1
* New port: science/erd: AcesIII electron repulsion integralsyuri2017-11-151-0/+1
* New port: science/pcmsolver: API for the Polarizable Continuum Modelyuri2017-11-151-0/+1
* New port: science/libefp: Effective fragment potential method in quantum chem...yuri2017-11-141-0/+1
* New port: science/dkh: Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativist...yuri2017-11-131-0/+1
* New port: science/py-qspin: Learn quantum spin and entanglementyuri2017-11-111-0/+1
* - Add new port: science/R-cran-kernlabtota2017-09-101-0/+1
* Ad TensorFlow 1.2.1lwhsu2017-08-151-0/+1
* - Add new port: science/R-cran-udunits2tota2017-06-271-0/+1
* New port, science/hypre: Scalable Linear Solvers and Multigrid Methodsjrm2017-06-081-0/+1
* science/iboview: new port. iboview is an advanced program for analyzing molec...jmd2017-05-021-0/+1
* add science/libgeodecomp - auto-parallelizing library for computer simulationslifanov2017-02-011-0/+1
* Add libaec 1.0.0sunpoet2017-01-011-0/+1
* Resurrect hdf5-18, because it is required by french/med and french/aster.thierry2016-11-131-0/+1
* `MFront` is a code generator which translates a set of closely relatedthierry2016-11-121-0/+1
* Remove expired ports without open PRs:rene2016-07-051-1/+0
* Remove expired ports:rene2016-04-231-1/+0
* Fuzzy logic toolkit for SciPy.miwi2015-12-311-0/+1
* Remove expired ports:rene2015-12-311-1/+0
* Add new port p5-Mcstas-Tools, a general tool for simulating neutron scatterin...rodrigo2015-11-211-0/+1
* - Add new port: science/R-cran-etmtota2015-11-081-0/+1
* - Add new port: science/R-cran-cmprsktota2015-11-081-0/+1
* Rename my ports to comply with Python ports policymakc2015-11-02