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Added multiple packages.
Andrius Merkys
1 year, 2 months ago
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tasks/analytical-biochemistry: Added comet-ms
Andreas Tille
1 year, 2 months ago
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tasks/molecular-dynamics: Replace votca-csg with votca
Nicholas Breen
1 year, 2 months ago
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* tasks/cheminformatics: Added liboscar4-java and osra.
Andrius Merkys
1 year, 2 months ago
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* tasks/molecular-modelling: Added promod3.
Andrius Merkys
1 year, 2 months ago
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* tasks/cheminformatics: Added smiles-scripts.
Andrius Merkys
1 year, 2 months ago
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* tasks/development: Added libdbcsr-dev and libbtas-dev.
Michael Banck
1 year, 3 months ago
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* tasks/semiempirical: Added xtb.
Michael Banck
1 year, 3 months ago
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* tasks/molecular-abinitio: Added openmolcas.
Michael Banck
1 year, 3 months ago
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* tasks/semiempirical: Added mopac.
Michael Banck
1 year, 3 months ago
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* tasks/cheminformatics: Added libopenchemlib-java.
Michael Banck
3 years ago
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Update analytical-biochemistry: add packages that were uploaded recently
Filippo Rusconi
3 years ago
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Python 2->3 for cinfony
Stuart Prescott
4 years ago
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Use Python 2->3 for indigo
Stuart Prescott
4 years ago
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Remove python-fmcs; removed from Debian
Stuart Prescott
4 years ago
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Remove chemfp; removed from Debian
Stuart Prescott
4 years ago
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Whitespace fix
Stuart Prescott
4 years ago
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Replace some Python 2 with Python 3 packages
Stuart Prescott
4 years ago
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Remove old dep on libblacs-mpi-dev
Stuart Prescott
4 years ago
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Remove dependencies on missing packages
Stuart Prescott
4 years ago
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remove p4vasp
Graham Inggs
4 years ago
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python-ase is now ase
Graham Inggs
4 years ago
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Indentation
Andreas Tille
5 years ago
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Import Debian version 0.0.6
Michael Banck
(commit: Andreas Tille)
6 years ago
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Import Debian version 0.0.4
Michael Banck
(commit: Andreas Tille)
6 years ago
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Import Debian version 0.0.3
Michael Banck
(commit: Andreas Tille)
6 years ago
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Import Debian version 0.0.2
Michael Banck
(commit: Andreas Tille)
6 years ago
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Import Debian version 0.0.1
Andreas Tille
6 years ago