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sci-chemistry/votca

Versatile Object-oriented Toolkit for Coarse-graining Applications

Screenshots

  • votca-9999
    +gromacs test +python_single_target_python3_10

    View      Download      Browse     License: Apache-2.0   
    Overlay: gentoo
  • votca-2022.1-r1
    amd64 ~x86 ~amd64-linux
    +gromacs test python_single_target_python3_10 python_single_target_python3_11

    View      Download      Browse     License: Apache-2.0   
    Overlay: gentoo

Runtime Dependencies

votca-9999

!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp

python_single_target_python3_10?
      ( dev-lang/python:3.10 )

app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
dev-libs/expat
sci-libs/fftw:3.0=
dev-lang/perl

gromacs?
      ( sci-chemistry/gromacs:=[gmxapi-legacy
            (+)
      ] )

sci-libs/hdf5:=[cxx]
sci-libs/libxc
sci-libs/libint:2

votca-2022.1-r1

!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp

python_single_target_python3_10?
      ( dev-lang/python:3.10 )

python_single_target_python3_11?
      ( dev-lang/python:3.11 )

app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
dev-libs/expat
sci-libs/fftw:3.0=
dev-lang/perl

gromacs?
      ( sci-chemistry/gromacs:=[gmxapi-legacy
            (+)
      ] )

sci-libs/hdf5:=[cxx]
sci-libs/libxc
sci-libs/libint:2