Codebase list debichem / 14bc3c4
* tasks/cheminformatics: Added libopenchemlib-java. * tasks/development: Added libopenmm-dev and libsymspg-dev. * tasks/input-generation-output-processing: Addedd c2x and python3-pycifrw. * tasks/molecular-modelling: Added mmb and openstructure. * tasks/periodic-abinitio: Added wannier90. Michael Banck 3 years ago
6 changed file(s) with 23 addition(s) and 0 deletion(s). Raw diff Collapse all Expand all
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debian/changelog less more
88 * tasks/analytical-biochemistry: Added minexpert2, xtpcpp, toppic as Depends,
99 and libpwizlite-dev and libisospec++-dev as Suggests.
1010 * tasks/analytical-biochemistry: Update description.
11
12 [ Michael Banck ]
13 * tasks/cheminformatics: Added libopenchemlib-java.
14 * tasks/development: Added libopenmm-dev and libsymspg-dev.
15 * tasks/input-generation-output-processing: Addedd c2x and python3-pycifrw.
16 * tasks/molecular-modelling: Added mmb and openstructure.
17 * tasks/periodic-abinitio: Added wannier90.
1118
1219 -- Andreas Tille <tille@debian.org> Sun, 17 Jan 2021 09:24:52 +0100
1320
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tasks/cheminformatics less more
2222 Published-In: Chem. Cent. J. 2:24
2323
2424 Depends: libopsin-java
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26 Depends: libopenchemlib-java
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tasks/development less more
2828
2929 Depends: libxc-dev
3030
31 Depends: libopenmm-dev
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33 Depends: libsymspg-dev
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3135 Depends: mpi-default-dev
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tasks/input-generation-output-processing less more
2222 Depends: ase
2323
2424 Depends: travis
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26 Depends: c2x
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28 Depends: python3-pycifrw
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tasks/molecular-modelling less more
1515 Pkg-Description: interactive analysis program for Molecular Dynamics simulations
1616 nMOLDYN is especially designed for the computation and decomposition of neutron
1717 scattering spectra, but also computes other quantities.
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19 Depends: mmb
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21 Depends: openstructure
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tasks/periodic-abinitio less more
1313 Depends: quantum-espresso
1414
1515 Depends: gpaw
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17 Depends: wannier90