| 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), python2.7, libgsl0-dev,
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| 7 | libcodepatterns (>=1.3.0), levmar (>=2.6), units, libcppunit-dev (>=1.12),
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| 8 | libqt4-dev (>=4.8.5),
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| 9 | Build-Conflicts: autoconf2.13, automake1.4
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| 10 | Standards-Version: 3.9.3
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| 11 | Homepage: https://www.molecuilder.de/
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| 12 |
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| 13 | Package: molecuilder
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| 14 | Architecture: any
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| 15 | Depends: ${shlibs:Depends}, ${misc:Depends}
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| 16 | Suggests: mpqc, psi3
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| 17 | Description: creates, alters and prepares molecular systems for simulations
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| 18 | MoleCuilder is a tool for preparing molecular systems for molecular
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| 19 | dynamics simulations. You add, modify, and manipulate atoms and molecules.
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| 20 | Empirical potentials parametrizations can be calculated via an efficient
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| 21 | fragmentation scheme from ab-initio calculations.
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| 22 |
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| 23 | Package: molecuilder-dbg
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| 24 | Architecture: any
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| 25 | Section: debug
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| 26 | Priority: extra
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| 27 | Depends:
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| 28 | molecuilder (= ${binary:Version}),
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| 29 | ${misc:Depends}
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| 30 | Description: debugging symbols for molecuilder
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| 31 | MoleCuilder is a tool for preparing molecular systems for molecular
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| 32 | dynamics simulations. You add, modify, and manipulate atoms and molecules.
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| 33 | Empirical potentials parametrizations can be calculated via an efficient
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| 34 | fragmentation scheme from ab-initio calculations.
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| 35 | .
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| 36 | This package contains the debugging symbols for molecuilder.
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| 37 |
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| 38 | Package: molecuilder-dev
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| 39 | Architecture: any
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| 40 | Priority: extra
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| 41 | Depends:
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| 42 | molecuilder (= ${binary:Version}),
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| 43 | ${misc:Depends}
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| 44 | Description: headers for molecuilder
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| 45 | MoleCuilder is a tool for preparing molecular systems for molecular
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| 46 | dynamics simulations. You add, modify, and manipulate atoms and molecules.
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| 47 | Empirical potentials parametrizations can be calculated via an efficient
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| 48 | fragmentation scheme from ab-initio calculations.
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| 49 | .
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| 50 | This package contains everything to compile against molecuilder.
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