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science
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Makefile
Commit message (
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Author
Age
Files
Lines
*
New port: science/esys-particle: Particle-based numerical modelling software
Yuri Victorovich
2018-11-05
1
-0
/
+1
*
bft, ecs, fvm, mei and ncs have been merged to code_saturne.
Thierry Thomas
2018-11-04
1
-5
/
+1
*
New port: science/liggghts: Discrete element method particle simulation software
Yuri Victorovich
2018-11-04
1
-0
/
+1
*
New port: science/latte: Quantum chemistry: Density functional tight binding ...
Yuri Victorovich
2018-10-31
1
-0
/
+1
*
New port: science/gpaw-setups: Setups (data files) for py-gpaw, the DFT quant...
Yuri Victorovich
2018-10-30
1
-0
/
+1
*
New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generation
Yuri Victorovich
2018-10-25
1
-0
/
+1
*
New port: science/maeparser: Parser for Schrodinger Maestro files
Yuri Victorovich
2018-10-25
1
-0
/
+1
*
New port: science/molsketch: 2D molecule editor
Yuri Victorovich
2018-10-24
1
-0
/
+1
*
New port: science/erkale: Quantum chemistry program to solve the electronic s...
Yuri Victorovich
2018-10-21
1
-0
/
+1
*
New port: science/py-avogadrolibs: Python bindings for Avogadro2 chemistry li...
Yuri Victorovich
2018-10-21
1
-0
/
+1
*
New port: science/mmtf: C++ implementation of the MMTF API, decoder and encoder
Yuri Victorovich
2018-10-18
1
-0
/
+1
*
New port: science/avogadro2: Chemical editor and visualization application
Yuri Victorovich
2018-10-17
1
-0
/
+1
*
New port: science/avogadrolibs: Avogadro2 libraries for chemical editor and v...
Yuri Victorovich
2018-10-17
1
-0
/
+1
*
New port: science/libmsym: Molecular point group symmetry library
Yuri Victorovich
2018-10-16
1
-0
/
+1
*
New port: science/wxmacmolplt: Graphical user interface principally for the G...
Yuri Victorovich
2018-10-14
1
-0
/
+1
*
Re-add port: science/gamess-us: General Atomic and Molecular Electronic Struc...
Yuri Victorovich
2018-10-14
1
-0
/
+1
*
New port: science/simint: Obara-Saika (OS) method of calculating electron rep...
Yuri Victorovich
2018-10-08
1
-0
/
+1
*
New port: science/molgif: Tool to create GIF animations of molecules
Yuri Victorovich
2018-10-07
1
-0
/
+1
*
biology/tinker: Update 7.1.3 -> 8.4.4; Move to science/
Yuri Victorovich
2018-10-07
1
-0
/
+1
*
New port: science/bagel: Brilliantly Advanced General Electronic-structure Li...
Yuri Victorovich
2018-09-25
1
-0
/
+1
*
New port: science/elk: All-electron full-potential linearised augmented-plane...
Yuri Victorovich
2018-09-23
1
-0
/
+1
*
New port: science/py-PyFR: Framework for solving advection-diffusion type pro...
Yuri Victorovich
2018-09-21
1
-0
/
+1
*
New port: science/py-chempy: Package useful useful for solving problems in ch...
Yuri Victorovich
2018-09-19
1
-0
/
+1
*
New port: science/luscus: Molecular editor and viewer
Yuri Victorovich
2018-09-14
1
-0
/
+1
*
New port: science/py-phono3py: Software to calculate phonon-phonon interactio...
Yuri Victorovich
2018-09-14
1
-0
/
+1
*
New port: science/py-phonopy: Package for phonon calculations at harmonic and...
Yuri Victorovich
2018-09-14
1
-0
/
+1
*
New port: science/py-molmod: Collection of molecular modelling tools for python
Yuri Victorovich
2018-09-14
1
-0
/
+1
*
New port: science/dftbplus: Package for performing fast atomistic simulations
Yuri Victorovich
2018-09-12
1
-0
/
+1
*
New port: science/openmx: Nanoscale material simulations using density functi...
Yuri Victorovich
2018-09-12
1
-0
/
+1
*
New port: science/msms: Program to efficiently compute molecular surfaces
Yuri Victorovich
2018-09-10
1
-0
/
+1
*
New port: science/lm: Software for sampling trajectories of the reaction-diff...
Yuri Victorovich
2018-09-09
1
-0
/
+1
*
New port: science/namd: Computer software for molecular dynamics simulation
Yuri Victorovich
2018-09-08
1
-0
/
+1
*
New port: science/lammps: Classical molecular dynamics code with a focus on m...
Yuri Victorovich
2018-09-06
1
-0
/
+1
*
New port: science/mdynamix: General purpose molecular dynamics code
Yuri Victorovich
2018-09-06
1
-0
/
+1
*
New port: science/cp2k: Quantum chemistry and solid state physics software pa...
Yuri Victorovich
2018-09-04
1
-0
/
+1
*
New port: science/atom: Program for DFT calculations in atoms
Yuri Victorovich
2018-09-04
1
-0
/
+1
*
New port: science/libgridxc: Library to compute the exchange and correlation ...
Yuri Victorovich
2018-09-04
1
-0
/
+1
*
Remove science/mpqc-mpich: Enable MPI option in science/mpqc by default
Yuri Victorovich
2018-09-04
1
-1
/
+0
*
New port: science/siesta: Program to perform efficient electronic structure c...
Yuri Victorovich
2018-09-03
1
-0
/
+1
*
New port: science/wannier90: Maximally-localized Wannier functions (MLWFs) an...
Yuri Victorovich
2018-09-03
1
-0
/
+1
*
New port: science/fleur: FLAPW code for atomic computations in quantum chemis...
Yuri Victorovich
2018-09-02
1
-0
/
+1
*
New port: science/dalton: Powerful molecular electronic structure program for...
Yuri Victorovich
2018-09-02
1
-0
/
+1
*
New port: science/teem: Libraries for representing, processing and visualizin...
Yuri Victorovich
2018-09-02
1
-0
/
+1
*
New port: science/py-gpaw: DFT and beyond within the projector-augmented wav...
Yuri Victorovich
2018-09-01
1
-0
/
+1
*
New port: science/py-ase: Atomic simulation environment
Yuri Victorovich
2018-09-01
1
-0
/
+1
*
New port: science/jdftx: Software for joint density functional theory in chem...
Yuri Victorovich
2018-09-01
1
-0
/
+1
*
New port: science/qbox: First-principles molecular dynamics code
Yuri Victorovich
2018-08-31
1
-0
/
+1
*
New port: science/libint2: Evaluate the integrals in modern atomic and molecu...
Yuri Victorovich
2018-08-28
1
-0
/
+1
*
New port: science/madness: Multiresolution adaptive numeric environment for s...
Yuri Victorovich
2018-08-27
1
-0
/
+1
*
New port: science/datawarrior: Chemistry-aware multi-purpose data visualizati...
Yuri Victorovich
2018-08-27
1
-0
/
+1
[next]