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qcelemental_0.5.0-1_amd64.changes (click to toggle)
Format:1.8
Date:Sat, 20 Jul 2019 23:25:35 -0300
Source:qcelemental
Binary:python3-qcelemental
Architecture:source all
Version:0.5.0-1
Distribution:unstable
Urgency:medium
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By:Michael Banck <mbanck@debian.org>
Description:
python3-qcelemental - Periodic table, physical constants, and molecule parsing for quan
Changes:
qcelemental (0.5.0-1) unstable; urgency=medium

  * Initial upload.
Files:
50c2f139935f724066f79610cc8566bf 2086 python optional qcelemental_0.5.0-1.dsc
be5db10dcf9f42a763c5801333860836 294038 python optional qcelemental_0.5.0.orig.tar.gz
c1ba8c17bfeaebc574e16261a380c5c8 2748 python optional qcelemental_0.5.0-1.debian.tar.xz
d389f047ae7bc91982fdb1db2af0526c 131316 python optional python3-qcelemental_0.5.0-1_all.deb
024ce39c495f6fff5c2f44cece12a4db 6905 python optional qcelemental_0.5.0-1_amd64.buildinfo
qcelemental_0.5.0-1.dsc (click to toggle)
Format:3.0 (quilt)
Source:qcelemental
Binary:python3-qcelemental
Architecture:all
Version:0.5.0-1
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders:Michael Banck <mbanck@debian.org>
Homepage:https://github.com/MolSSI/QCElemental
Standards-Version:4.1.3
Vcs-Browser:https://salsa.debian.org/debichem-team/qcelemental
Vcs-Git:https://salsa.debian.org/debichem-team/pqcelemental.git
Build-Depends:debhelper (>=10), dh-python, python3-all (>=3.6), python3-setuptools, python3-numpy, python3-pint, python3-pydantic, python3-pytest, python3-pytest-cov
Package-List:python3-qcelemental deb python optional arch=all
Files:
be5db10dcf9f42a763c5801333860836 294038 qcelemental_0.5.0.orig.tar.gz
c1ba8c17bfeaebc574e16261a380c5c8 2748 qcelemental_0.5.0-1.debian.tar.xz
lintian 2.16.0~bpo9+1 check for qcelemental_0.5.0-1.dsc (click to toggle)
README.source for qcelemental_0.5.0-1.dsc (click to toggle)
No README.source in this package
control file for python3-qcelemental_0.5.0-1_all.deb (click to toggle)
Package:python3-qcelemental
Source:qcelemental
Version:0.5.0-1
Architecture:all
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:786
Depends:python3-numpy, python3-pint, python3-pydantic, python3:any
Section:python
Priority:optional
Homepage:https://github.com/MolSSI/QCElemental
Description:
Periodic table, physical constants, and molecule parsing for quantum chemistry
 QCElemental is a resource module for quantum chemistry containing physical
 constants and periodic table data from NIST CODATA and molecule handlers.
lintian 2.16.0~bpo9+1 check for python3-qcelemental_0.5.0-1_all.deb (click to toggle)
W: python3-qcelemental: new-package-should-close-itp-bug
contents of python3-qcelemental_0.5.0-1_all.deb (click to toggle)
drwxr-xr-x root/root         0 2019-07-21 02:25 ./
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/
-rw-r--r-- root/root       739 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/__init__.py
-rw-r--r-- root/root       498 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/_version.py
-rw-r--r-- root/root      6793 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/covalent_radii.py
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/data/
-rw-r--r-- root/root       152 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/data/README.md
-rw-r--r-- root/root       217 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/data/__init__.py
-rw-r--r-- root/root      5514 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/data/alvarez_2008_covalent_radii.py
-rw-r--r-- root/root    117788 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/data/nist_2011_atomic_weights.py
-rw-r--r-- root/root     74402 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/data/nist_2014_codata.py
-rw-r--r-- root/root      6595 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/datum.py
-rw-r--r-- root/root      1397 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/exceptions.py
-rw-r--r-- root/root       481 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/extras.py
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/models/
-rw-r--r-- root/root       488 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/models/__init__.py
-rw-r--r-- root/root      4775 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/models/align.py
-rw-r--r-- root/root      2384 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/models/common_models.py
-rw-r--r-- root/root     41196 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/models/molecule.py
-rw-r--r-- root/root      1938 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/models/procedures.py
-rw-r--r-- root/root      4026 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/models/results.py
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/molparse/
-rw-r--r-- root/root       336 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/__init__.py
-rw-r--r-- root/root     25358 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/chgmult.py
-rw-r--r-- root/root     27916 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/from_arrays.py
-rw-r--r-- root/root      6050 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/from_schema.py
-rw-r--r-- root/root     28778 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/from_string.py
-rw-r--r-- root/root     14685 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/nucleus.py
-rw-r--r-- root/root      6356 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/pubchem.py
-rw-r--r-- root/root      2798 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/regex.py
-rw-r--r-- root/root      4361 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/to_schema.py
-rw-r--r-- root/root     11255 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molparse/to_string.py
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/molutil/
-rw-r--r-- root/root        56 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molutil/__init__.py
-rw-r--r-- root/root     25384 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molutil/align.py
-rw-r--r-- root/root     17789 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/molutil/test_align.py
-rw-r--r-- root/root     16243 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/periodic_table.py
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/physical_constants/
-rw-r--r-- root/root       385 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/physical_constants/__init__.py
-rw-r--r-- root/root     17112 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/physical_constants/context.py
-rw-r--r-- root/root      5937 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/physical_constants/ureg.py
-rw-r--r-- root/root     18320 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/testing.py
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/tests/
-rw-r--r-- root/root         0 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/__init__.py
-rw-r--r-- root/root       640 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/addons.py
-rw-r--r-- root/root      2519 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_constants.py
-rw-r--r-- root/root      2167 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_covalentradii.py
-rw-r--r-- root/root      3970 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_datum.py
-rw-r--r-- root/root      2625 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_importing.py
-rw-r--r-- root/root      4467 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_model_serials.py
-rw-r--r-- root/root     16936 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molecule.py
-rw-r--r-- root/root     18566 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_align_chiral.py
-rw-r--r-- root/root      4840 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_from_schema.py
-rw-r--r-- root/root     61315 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_from_string.py
-rw-r--r-- root/root      2120 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_parse_nucleus_label.py
-rw-r--r-- root/root      6679 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_pubchem.py
-rw-r--r-- root/root      3696 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_reconcile_nucleus.py
-rw-r--r-- root/root     10511 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_to_schema.py
-rw-r--r-- root/root      5899 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_to_string.py
-rw-r--r-- root/root      8555 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_validate_and_fill_chgmult.py
-rw-r--r-- root/root      3810 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_periodictable.py
-rw-r--r-- root/root      9104 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_testing.py
-rw-r--r-- root/root      2774 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_units.py
-rw-r--r-- root/root      6230 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/tests/test_utils.py
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental/util/
-rw-r--r-- root/root       576 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/__init__.py
-rw-r--r-- root/root     16243 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/gph_uno_bipartite.py
-rw-r--r-- root/root      2714 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/importing.py
-rw-r--r-- root/root       493 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/internal.py
-rw-r--r-- root/root       697 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/itertools.py
-rw-r--r-- root/root      9569 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/misc.py
-rw-r--r-- root/root      3736 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/np_blockwise.py
-rw-r--r-- root/root      2390 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/np_rand3drot.py
-rw-r--r-- root/root     10550 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/scipy_hungarian.py
-rw-r--r-- root/root      8462 2019-07-17 12:32 ./usr/lib/python3/dist-packages/qcelemental/util/test_gph_uno_bipartite.py
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drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental-0.5.0.egg-info/
-rw-r--r-- root/root      4796 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental-0.5.0.egg-info/PKG-INFO
-rw-r--r-- root/root         1 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental-0.5.0.egg-info/dependency_links.txt
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-rw-r--r-- root/root        12 2019-07-21 02:25 ./usr/lib/python3/dist-packages/qcelemental-0.5.0.egg-info/top_level.txt
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/share/
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/share/doc/
drwxr-xr-x root/root         0 2019-07-21 02:25 ./usr/share/doc/python3-qcelemental/
-rw-r--r-- root/root      3362 2019-07-17 12:32 ./usr/share/doc/python3-qcelemental/README.md
-rw-r--r-- root/root       145 2019-07-21 02:25 ./usr/share/doc/python3-qcelemental/changelog.Debian.gz
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-rw-r--r-- root/root      1812 2019-07-20 23:01 ./usr/share/doc/python3-qcelemental/copyright

Timestamp: 21.07.2019 / 04:03:43 (UTC)