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sci-mathematics/scilab
Scientific software package for numerical computations
sci-physics/quantum-espresso
Suite for first-principles electronic-structure calculations and materials modeling
sci-physics/gpaw
GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE)
sci-geosciences/grass
A free GIS with raster and vector functionality, as well as 3D vizualization