-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Format: 1.8 Date: Sun, 23 Oct 2016 23:07:02 +0200 Source: rdkit Binary: python-rdkit rdkit-doc rdkit-data librdkit1 librdkit-dev Architecture: source Version: 201603.5-1 Distribution: unstable Urgency: medium Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org> Changed-By: Michael Banck <mbanck@debian.org> Description: librdkit-dev - Collection of cheminformatics and machine-learning software (deve librdkit1 - Collection of cheminformatics and machine-learning software (shar python-rdkit - Collection of cheminformatics and machine-learning software rdkit-data - Collection of cheminformatics and machine-learning software (data rdkit-doc - Collection of cheminformatics and machine-learning software (docu Closes: 786180 Changes: rdkit (201603.5-1) unstable; urgency=medium . * New upstream release. New features include: - Addition of parsers/writers for sequence notation, FASTA, and basic HELM - Improved conformation generation based on experimental torsional parameters - Much better filtering of generated conformations to ensure they match the chirality of the input structure - New method for enumerating molecular resonance structures - Addition of a molecular FilterCatalog data structure . [ Daniel Leidert ] * debian/compat: Raised to level 9. * debian/control (Build-Depends): Switched to dh-python (closes: #786180). (Standards-Version): Bumped to 3.9.6. (Depends): Dropped python-numpy and let dh_numpy handle this. * debian/rules: Added override for dh_python2 and call dh_numpy. * debian/watch: Updated after project moved to Github. * debian/patches/series: Added. . [ Michael Banck ] * debian/rules (override_dh_auto_clean): No longer remove Code/RDGeneral/versions.h, this is shipped upstream now. * debian/rdkit-doc.install: Removed, no longer needed. * debian/rules (override_dh_installchangelogs): Update for new ReleaseNotes extension. * debian/rules (override_dh_auto_clean): Added Code/RDGeneral/versions.cpp and auto-generated restructed-text source files. Checksums-Sha1: 26db54fadc3a7d83f867ccebe3079f570efc1193 2437 rdkit_201603.5-1.dsc 9c252951cb48323bb7ed74166158444fa02f2b0f 26288203 rdkit_201603.5.orig.tar.gz 4cad0ca18e147fc22b17043db604ca617cf85248 7924 rdkit_201603.5-1.debian.tar.xz Checksums-Sha256: 8c357aadab167c03f7da294a99a8ab0d1420b018f5ea9df18dcb0919b0966550 2437 rdkit_201603.5-1.dsc a6b33c297626b9db492e044a77c493ecebdecca168bda0ce926b92b64b8992d7 26288203 rdkit_201603.5.orig.tar.gz 966222cb687be176f388fc679a4542512538b6d6b36d43c5a11b4f6692ae3216 7924 rdkit_201603.5-1.debian.tar.xz Files: ff9e07a6eb49f718f5a6df401fab923d 2437 science optional rdkit_201603.5-1.dsc 75aceb740c3f77eaa59d67ae45ad509f 26288203 science optional rdkit_201603.5.orig.tar.gz 06ce4bc1ab6268fdb65ad655ea412c89 7924 science optional rdkit_201603.5-1.debian.tar.xz -----BEGIN PGP SIGNATURE----- Version: GnuPG v1 iQIcBAEBAgAGBQJYDSyfAAoJENxoaie0NIGwyhUP/0+/oNkgo2wIpm/Or5L0ko19 72Q+LY+gaJ2Fiw2qftIAVCQNQN5Or5STLjdK09+YKJcmo6RtR39xAIzkVYBB2vgl ClOXpqowKL3J07CKmkS8niWlP6XO7D+eni1b++pKQgSieJZFwsyM9lrPKSLtBW5M WdncQzt3X78CVZ9MS4VCNb247dqPjf6nxnaKrlGUQGDG0AQt0IEisEy8M6CPFyYa B0dIMRNUJO0cimpWvUk5QiVi1jyu6YTSU9IIfs7XW5XMacpcfhQo2TAR19cKzvu1 ldrC5Jn9cGx3FnCh842cX3ycwGBXFGOMSFt9m9+91fJxaA+rPeRXBUSIYXnRPmRW mhZyqlT44KgNppHd6D4hu6rus7KBf3cFw2DHznXcT5JIHXyIO54h6K1anWrT+FCx taaerttnbyqx511o4apibe909TmAdlvcdvCjUwdvwZUjV5fvy1QlkcWshB/OhSpt cU9akgZMCdbXkdtIzVZLhBBIeObW4ib4HetKeCmsAyg9P+TBcJfPbmoFE9JMAMLj gqOLGbVOm2Y8AbWqpblQnQVrA5u/v79x8cjrDC+tCWL+QPU8npRUqGThQltlc+Cu os9vYeIU8w3zJ4+r3q4H++NUfnCtpyYWjb2tX+kuPpNcQuIyQcv2wkCHope7utTj 4ifxGXJ5OMySZIaaVmoL =zUSD -----END PGP SIGNATURE-----
