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d7784cdd16
PACKMOL creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees that short range repulsive interactions do not disrupt the simulations.
344 lines
8.2 KiB
Makefile
344 lines
8.2 KiB
Makefile
# $FreeBSD$
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#
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COMMENT = Scientific ports
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SUBDIR += 2d-rewriter
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SUBDIR += ALPSCore
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SUBDIR += InsightToolkit
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SUBDIR += PETSc
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SUBDIR += R-cran-AMORE
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SUBDIR += R-cran-DCluster
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SUBDIR += R-cran-Epi
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SUBDIR += R-cran-bayesm
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SUBDIR += R-cran-cmprsk
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SUBDIR += R-cran-e1071
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SUBDIR += R-cran-eco
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SUBDIR += R-cran-epicalc
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SUBDIR += R-cran-etm
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SUBDIR += R-cran-fastICA
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SUBDIR += R-cran-kernlab
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SUBDIR += R-cran-snow
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SUBDIR += R-cran-som
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SUBDIR += R-cran-udunits2
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SUBDIR += abinit
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SUBDIR += afni
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SUBDIR += agrum
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SUBDIR += aircraft-datcom
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SUBDIR += antioch
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SUBDIR += apbs
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SUBDIR += atom
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SUBDIR += atompaw
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SUBDIR += avogadro2
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SUBDIR += avogadrolibs
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SUBDIR += bagel
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SUBDIR += bddsolve
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SUBDIR += berkeleygw
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SUBDIR += bodr
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SUBDIR += brian
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SUBDIR += buddy
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SUBDIR += cdcl
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SUBDIR += cdf
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SUBDIR += cdo
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SUBDIR += cgnslib
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SUBDIR += cgribex
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SUBDIR += checkmol
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SUBDIR += chemical-mime-data
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SUBDIR += chemps2
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SUBDIR += chemtool
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SUBDIR += chemtool-devel
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SUBDIR += chrono
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SUBDIR += clhep
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SUBDIR += clipper
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SUBDIR += code_saturne
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SUBDIR += colt
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SUBDIR += coordgenlibs
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SUBDIR += coot
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SUBDIR += cp2k
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SUBDIR += cp2k-data
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SUBDIR += crf++
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SUBDIR += dalton
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SUBDIR += datawarrior
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SUBDIR += dcl
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SUBDIR += devisor
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SUBDIR += dftbplus
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SUBDIR += dkh
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SUBDIR += dlib-cpp
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SUBDIR += dlpoly-classic
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SUBDIR += drawxtl
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SUBDIR += dvc
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SUBDIR += eccodes
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SUBDIR += elk
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SUBDIR += epte
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SUBDIR += erd
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SUBDIR += erkale
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SUBDIR += erkale-pseudopotentials
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SUBDIR += esys-particle
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SUBDIR += fastcap
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SUBDIR += fasthenry
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SUBDIR += fisicalab
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SUBDIR += fleur
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SUBDIR += fsom
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SUBDIR += fvcom
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SUBDIR += fvcom-mpi
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SUBDIR += gabedit
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SUBDIR += gamess-us
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SUBDIR += gchemutils
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SUBDIR += gdma
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SUBDIR += getdp
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SUBDIR += ghemical
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SUBDIR += ghmm
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SUBDIR += gnudatalanguage
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SUBDIR += gpaw-setups
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SUBDIR += gramps
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SUBDIR += grib_api
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SUBDIR += gromacs
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SUBDIR += gsmc
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SUBDIR += gtamsanalyzer
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SUBDIR += gwyddion
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SUBDIR += h5utils
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SUBDIR += h5z-zfp
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SUBDIR += harminv
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SUBDIR += hdf
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SUBDIR += hdf5
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SUBDIR += hdf5-18
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SUBDIR += healpix
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SUBDIR += hypre
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SUBDIR += iboview
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SUBDIR += isaac-cfd
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SUBDIR += jdftx
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SUBDIR += jmol
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SUBDIR += jstrack
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SUBDIR += kalzium
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SUBDIR += kim-api
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SUBDIR += kst2
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SUBDIR += lammps
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SUBDIR += lamprop
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SUBDIR += latte
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SUBDIR += libaec
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SUBDIR += libccp4
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SUBDIR += libcint
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SUBDIR += libctl
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SUBDIR += libefp
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SUBDIR += libgeodecomp
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SUBDIR += libghemical
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SUBDIR += libgridxc
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SUBDIR += libint
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SUBDIR += libint2
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SUBDIR += libkml
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SUBDIR += liblinear
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SUBDIR += libmsym
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SUBDIR += liboglappth
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SUBDIR += libquantum
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SUBDIR += libssm
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SUBDIR += libsvm
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SUBDIR += libsvm-python
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SUBDIR += libvdwxc
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SUBDIR += libxc
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SUBDIR += liggghts
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SUBDIR += lm
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SUBDIR += luscus
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SUBDIR += madness
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SUBDIR += maeparser
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SUBDIR += massxpert
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SUBDIR += mbdyn
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SUBDIR += mcstas
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SUBDIR += mcstas-comps
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SUBDIR += mcxtrace
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SUBDIR += mcxtrace-comps
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SUBDIR += mdynamix
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SUBDIR += medit
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SUBDIR += meep
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SUBDIR += metaf2xml
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SUBDIR += metaphysicl
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SUBDIR += minc2
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SUBDIR += mmdb2
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SUBDIR += mmtf-cpp
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SUBDIR += mol2ps
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SUBDIR += molgif
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SUBDIR += molscript
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SUBDIR += molsketch
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SUBDIR += mpb
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SUBDIR += mpqc
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SUBDIR += msms
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SUBDIR += multiwfn
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SUBDIR += namd
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SUBDIR += ncnn
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SUBDIR += nest
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SUBDIR += netcdf
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SUBDIR += netcdf-cxx
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SUBDIR += netcdf-fortran
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SUBDIR += nifticlib
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SUBDIR += nwchem
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SUBDIR += nwchem-data
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SUBDIR += octopus
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SUBDIR += openbabel
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SUBDIR += openkim
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SUBDIR += openkim-models
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SUBDIR += openmx
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SUBDIR += opensim-core
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SUBDIR += opensph
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SUBDIR += opsin
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SUBDIR += p5-Algorithm-SVMLight
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SUBDIR += p5-Chemistry-3DBuilder
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SUBDIR += p5-Chemistry-Bond-Find
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SUBDIR += p5-Chemistry-Canonicalize
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SUBDIR += p5-Chemistry-Elements
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SUBDIR += p5-Chemistry-File-MDLMol
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SUBDIR += p5-Chemistry-File-Mopac
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SUBDIR += p5-Chemistry-File-PDB
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SUBDIR += p5-Chemistry-File-SLN
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SUBDIR += p5-Chemistry-File-SMARTS
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SUBDIR += p5-Chemistry-File-SMILES
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SUBDIR += p5-Chemistry-File-VRML
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SUBDIR += p5-Chemistry-File-XYZ
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SUBDIR += p5-Chemistry-FormulaPattern
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SUBDIR += p5-Chemistry-InternalCoords
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SUBDIR += p5-Chemistry-Isotope
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SUBDIR += p5-Chemistry-MacroMol
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SUBDIR += p5-Chemistry-MidasPattern
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SUBDIR += p5-Chemistry-Mok
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SUBDIR += p5-Chemistry-Mol
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SUBDIR += p5-Chemistry-Pattern
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SUBDIR += p5-Chemistry-Reaction
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SUBDIR += p5-Chemistry-Ring
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SUBDIR += p5-Geo-BUFR
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SUBDIR += p5-Geo-Coordinates-Converter
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SUBDIR += p5-Geo-Coordinates-Converter-iArea
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SUBDIR += p5-Geo-ReadGRIB
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SUBDIR += p5-Geo-WebService-Elevation-USGS
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SUBDIR += p5-Mcstas-Tools
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SUBDIR += p5-PerlMol
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SUBDIR += p5-Physics-Unit
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SUBDIR += packmol
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SUBDIR += pagmo2
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SUBDIR += paje
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SUBDIR += paraview
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SUBDIR += pcmsolver
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SUBDIR += pnetcdf
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SUBDIR += psychopy
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SUBDIR += pulseview
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SUBDIR += py-DendroPy
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SUBDIR += py-GPy
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SUBDIR += py-GPyOpt
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SUBDIR += py-MDAnalysis
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SUBDIR += py-MDAnalysisTests
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SUBDIR += py-OpenFermion
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SUBDIR += py-PyFR
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SUBDIR += py-PyQuante
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SUBDIR += py-ScientificPython
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SUBDIR += py-SimpleSpectral
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SUBDIR += py-abipy
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SUBDIR += py-asdf
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SUBDIR += py-ase
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SUBDIR += py-avogadrolibs
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SUBDIR += py-cdo
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SUBDIR += py-chainer
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SUBDIR += py-chainer-chemistry
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SUBDIR += py-chempy
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SUBDIR += py-coards
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SUBDIR += py-dlib
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SUBDIR += py-eccodes-python
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SUBDIR += py-geometer
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SUBDIR += py-gpaw
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SUBDIR += py-gsd
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SUBDIR += py-h5py
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SUBDIR += py-hcluster
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SUBDIR += py-kinematics
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SUBDIR += py-lifelines
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SUBDIR += py-mdp
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SUBDIR += py-mlpy
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SUBDIR += py-mmtf-python
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SUBDIR += py-molmod
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SUBDIR += py-netCDF4
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SUBDIR += py-obspy
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SUBDIR += py-oddt
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SUBDIR += py-openpiv
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SUBDIR += py-paida
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SUBDIR += py-paramz
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SUBDIR += py-phono3py
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SUBDIR += py-phonopy
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SUBDIR += py-pupynere
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SUBDIR += py-pyaixi
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SUBDIR += py-pydicom
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SUBDIR += py-pygeodesy
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SUBDIR += py-pymatgen
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SUBDIR += py-pymol
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SUBDIR += py-pyosf
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SUBDIR += py-pysal
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SUBDIR += py-pyteomics
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SUBDIR += py-pyteomics.biolccc
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SUBDIR += py-qcelemental
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SUBDIR += py-qcengine
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SUBDIR += py-qspin
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SUBDIR += py-quantities
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SUBDIR += py-rmf
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SUBDIR += py-rmsd
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SUBDIR += py-ruffus
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SUBDIR += py-scikit-fuzzy
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SUBDIR += py-scikit-learn
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SUBDIR += py-scikit-sparse
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SUBDIR += py-scimath
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SUBDIR += py-scipy
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SUBDIR += py-scoria
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SUBDIR += py-spglib
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SUBDIR += py-tensorflow
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SUBDIR += py-tensorflow-estimator
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SUBDIR += py-veusz
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SUBDIR += py-ws2300
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SUBDIR += pybrain
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SUBDIR += pycdf
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SUBDIR += pynn
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SUBDIR += qbox
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SUBDIR += qcl
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SUBDIR += qmcpack
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SUBDIR += quantum-espresso
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SUBDIR += quantum-espresso-pseudopotentials
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SUBDIR += qwalk
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SUBDIR += rdkit
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SUBDIR += rmf
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SUBDIR += rubygem-ai4r
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SUBDIR += rubygem-cdo
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SUBDIR += rubygem-rgeo
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SUBDIR += rubygem-rgeo-geojson
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SUBDIR += rubygem-rgeo-proj4
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SUBDIR += rubygem-rgeo-shapefile
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SUBDIR += rubygem-ruby-dcl
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SUBDIR += rubygem-ruby-netcdf
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SUBDIR += scidavis
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SUBDIR += siesta
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SUBDIR += sigrok-cli
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SUBDIR += sigrok-firmware
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SUBDIR += sigrok-firmware-fx2lafw
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SUBDIR += sigrok-firmware-utils
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SUBDIR += silo
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SUBDIR += simbody
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SUBDIR += simgrid
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SUBDIR += simint
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SUBDIR += simlib
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SUBDIR += simsmith
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SUBDIR += smoldyn
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SUBDIR += sparta
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SUBDIR += spglib
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SUBDIR += step
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SUBDIR += svmlight
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SUBDIR += szip
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SUBDIR += teem
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SUBDIR += tfel
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SUBDIR += tinker
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SUBDIR += udunits
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SUBDIR += v_sim
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SUBDIR += vipster
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SUBDIR += vmd
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SUBDIR += voro++
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SUBDIR += wannier90
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SUBDIR += wwplot
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SUBDIR += wxmacmolplt
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SUBDIR += xcrysden
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SUBDIR += xdrawchem
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SUBDIR += xfce4-equake-plugin
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SUBDIR += xmakemol
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SUBDIR += yoda
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.include <bsd.port.subdir.mk>
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