| 1 | Source:molecuilder
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| 2 | Section: science
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| 3 | Priority: optional
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| 4 | Maintainer: Frederik Heber <heber@molecuilder.com>
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| 5 | Build-Depends: debhelper (>=9), cdbs, autoconf, automake (>=1.11), pkg-config,
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| 6 | gfortran, libgpg-error0, libboost-dev (>=1.46), libboost-python-dev (>=1.46),
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| 7 | libboost-program-options-dev (>=1.46), libboost-serialization-dev (>=1.46),
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| 8 | libboost-graph-dev (>=1.46), libboost-system-dev (>=1.46),
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| 9 | libboost-filesystem-dev (>=1.46), libboost-iostreams-dev (>=1.46),
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| 10 | libboost-python-dev (>=1.46), python (>=2.7), python-dev (>=2.7),
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| 11 | python-numpy, libgsl0-dev, liblapack-dev (>= 3.3.1), units,
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| 12 | libcppunit-dev (>=1.12), libqt4-dev (>=4.8.5), libqt4-3d-dev (>=1.0),
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| 13 | libqwt5-qt4-dev (>=5.2.2), doxygen (>=1.7.6), graphviz (>= 2.26.3)
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| 14 | Build-Conflicts: autoconf2.13, automake1.4
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| 15 | Standards-Version: 3.9.3
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| 16 | Homepage: https://www.molecuilder.de/
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| 17 |
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| 18 | Package: molecuilder
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| 19 | Architecture: any
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| 20 | Depends: ${shlibs:Depends}, ${misc:Depends}
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| 21 | Suggests: mpqc, psi3
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| 22 | Description: creates, alters and prepares molecular systems for simulations
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| 23 | MoleCuilder is a tool for preparing molecular systems for molecular
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| 24 | dynamics simulations. You add, modify, and manipulate atoms and molecules.
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| 25 | Empirical potentials parametrizations can be calculated via an efficient
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| 26 | fragmentation scheme from ab-initio calculations.
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| 27 |
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| 28 | Package: molecuilder-dbg
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| 29 | Architecture: any
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| 30 | Section: debug
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| 31 | Priority: extra
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| 32 | Depends:
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| 33 | molecuilder (= ${binary:Version}),
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| 34 | ${misc:Depends}
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| 35 | Description: debugging symbols for molecuilder
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| 36 | MoleCuilder is a tool for preparing molecular systems for molecular
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| 37 | dynamics simulations. You add, modify, and manipulate atoms and molecules.
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| 38 | Empirical potentials parametrizations can be calculated via an efficient
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| 39 | fragmentation scheme from ab-initio calculations.
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| 40 | .
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| 41 | This package contains the debugging symbols for molecuilder.
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| 42 |
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| 43 | Package: molecuilder-dev
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| 44 | Architecture: any
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| 45 | Priority: extra
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| 46 | Depends:
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| 47 | molecuilder (= ${binary:Version}),
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| 48 | ${misc:Depends}
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| 49 | Description: headers for molecuilder
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| 50 | MoleCuilder is a tool for preparing molecular systems for molecular
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| 51 | dynamics simulations. You add, modify, and manipulate atoms and molecules.
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| 52 | Empirical potentials parametrizations can be calculated via an efficient
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| 53 | fragmentation scheme from ab-initio calculations.
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| 54 | .
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| 55 | This package contains everything to compile against molecuilder.
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