Debian NEW package overview for python-symfc
| python-symfc_1.5.4-1_amd64.changes (click to toggle) | |
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| Format: | 1.8 |
| Date: | Fri, 12 Sep 2025 03:37:56 -0400 |
| Source: | python-symfc |
| Binary: | python3-symfc |
| Architecture: | source all |
| Version: | 1.5.4-1 |
| Distribution: | unstable |
| Urgency: | medium |
| Maintainer: | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| Changed-By: | Andrius Merkys <merkys@debian.org> |
| Description: | python3-symfc - Generate symmetrized force constants (Python 3) |
| Closes: | 1114973 |
| Changes: | python-symfc (1.5.4-1) unstable; urgency=medium * Initial release. (Closes: #1114973) |
| Files: | 4bd0c51366e516f4e9606cbee506bff0 2171 science optional python-symfc_1.5.4-1.dsc fc6a044d37dd7aacf60eb8bd728438d8 1213569 science optional python-symfc_1.5.4.orig.tar.gz bb4e7fe750a1886522d26bc2f0fe0ed9 2348 science optional python-symfc_1.5.4-1.debian.tar.xz afce82a2cdccd4d928aae46e8cad3ba1 9160 science optional python-symfc_1.5.4-1_amd64.buildinfo cf607d8c6811e9ad71924833c07d468c 38512 science optional python3-symfc_1.5.4-1_all.deb |
| python-symfc_1.5.4-1.dsc (click to toggle) | |
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| Format: | 3.0 (quilt) |
| Source: | python-symfc |
| Binary: | python3-symfc |
| Architecture: | all |
| Version: | 1.5.4-1 |
| Maintainer: | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| Uploaders: | Andrius Merkys <merkys@debian.org>, |
| Homepage: | https://symfc.github.io/symfc/ |
| Standards-Version: | 4.7.2 |
| Vcs-Browser: | https://salsa.debian.org/debichem-team/python-symfc |
| Vcs-Git: | https://salsa.debian.org/debichem-team/python-symfc.git |
| Testsuite: | autopkgtest-pkg-python |
| Build-Depends: | debhelper-compat (=13), dh-sequence-python3, pybuild-plugin-pyproject, python3-all, python3-pytest<!nocheck>, python3-scipy<!nocheck>, python3-setuptools, python3-spglib<!nocheck> |
| Package-List: | python3-symfc deb science optional arch=all |
| Files: | fc6a044d37dd7aacf60eb8bd728438d8 1213569 python-symfc_1.5.4.orig.tar.gz bb4e7fe750a1886522d26bc2f0fe0ed9 2348 python-symfc_1.5.4-1.debian.tar.xz |
| control file for python3-symfc_1.5.4-1_all.deb (click to toggle) | |
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| Package: | python3-symfc |
| Source: | python-symfc |
| Version: | 1.5.4-1 |
| Architecture: | all |
| Maintainer: | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| Installed-Size: | 360 |
| Depends: | python3-numpy, python3-scipy, python3-spglib, python3:any |
| Suggests: | python-python-symfc-doc |
| Section: | science |
| Priority: | optional |
| Homepage: | https://symfc.github.io/symfc/ |
| Description: | Generate symmetrized force constants (Python 3) Atomic vibrations in crystals are often conveniently described using the phonon model. In this model, the crystal potential is expanded into a Taylor series with respect to atomic displacements from their equilibrium positions, and the expansion coefficients are referred to as force constants. . Predicting phonon properties through computer simulations is becoming increasingly popular, with the supercell approach being one of the techniques employed for phonon calculations. In this method, force constants are derived from datasets of atomic forces and displacements obtained from supercell snapshots, which feature various configurations of atomic displacements. . While force constants possess specific symmetries, those computed from displacement-force datasets often do not adhere to these symmetries due to factors such as numerical noise or approximations used. Symfc is a software designed to compute force constants from displacement-force datasets in the supercell approach, ensuring they meet the required symmetry constraints. . This package installs the library for Python 3. |
| contents of python3-symfc_1.5.4-1_all.deb (click to toggle) | |
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drwxr-xr-x root/root 0 2025-09-12 07:37 ./ drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/ drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/ drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/ drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/dist-packages/ drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/ -rw-r--r-- root/root 185 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/__init__.py -rw-r--r-- root/root 18506 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/api_symfc.py drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/basis_sets/ -rw-r--r-- root/root 319 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/basis_sets/__init__.py -rw-r--r-- root/root 4160 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/basis_sets/basis_sets_O1.py -rw-r--r-- root/root 6722 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/basis_sets/basis_sets_O2.py -rw-r--r-- root/root 8231 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/basis_sets/basis_sets_O3.py -rw-r--r-- root/root 8053 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/basis_sets/basis_sets_O4.py -rw-r--r-- root/root 3160 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/basis_sets/basis_sets_base.py drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/ -rw-r--r-- root/root 374 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/__init__.py -rw-r--r-- root/root 7980 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/solver_O2.py -rw-r--r-- root/root 13445 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/solver_O2O3.py -rw-r--r-- root/root 16802 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/solver_O2O3O4.py -rw-r--r-- root/root 7422 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/solver_O3.py -rw-r--r-- root/root 11547 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/solver_O3O4.py -rw-r--r-- root/root 7476 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/solver_O4.py -rw-r--r-- root/root 1590 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/solvers/solver_base.py drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/spg_reps/ -rw-r--r-- root/root 309 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/spg_reps/__init__.py -rw-r--r-- root/root 2695 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/spg_reps/spg_reps_O1.py -rw-r--r-- root/root 5825 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/spg_reps/spg_reps_O2.py -rw-r--r-- root/root 3480 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/spg_reps/spg_reps_O3.py -rw-r--r-- root/root 3633 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/spg_reps/spg_reps_O4.py -rw-r--r-- root/root 4911 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/spg_reps/spg_reps_base.py drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/ -rw-r--r-- root/root 17 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/__init__.py -rw-r--r-- root/root 9041 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/cutoff_tools.py -rw-r--r-- root/root 20173 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/eig_tools.py -rw-r--r-- root/root 1359 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/graph.py -rw-r--r-- root/root 12580 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/matrix.py -rw-r--r-- root/root 3542 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/permutation_tools.py -rw-r--r-- root/root 4738 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/permutation_tools_O2.py -rw-r--r-- root/root 5589 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/permutation_tools_O3.py -rw-r--r-- root/root 7005 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/permutation_tools_O4.py drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/rotation_dev/ -rw-r--r-- root/root 17 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/rotation_dev/__init__.py -rw-r--r-- root/root 11313 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/rotation_dev/run_rotation_tools_O2.py -rw-r--r-- root/root 9947 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/rotation_dev/run_rotation_tools_O3.py -rw-r--r-- root/root 7175 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/rotation_dev/run_test_O2.py -rw-r--r-- root/root 3111 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/rotation_tools_O2.py -rw-r--r-- root/root 1231 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/solver_funcs.py -rw-r--r-- root/root 1610 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/translation_tools_O1.py -rw-r--r-- root/root 10575 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/translation_tools_O2.py -rw-r--r-- root/root 11176 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/translation_tools_O3.py -rw-r--r-- root/root 11264 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/translation_tools_O4.py -rw-r--r-- root/root 10747 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/utils.py -rw-r--r-- root/root 5112 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/utils_O1.py -rw-r--r-- root/root 10211 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/utils_O2.py -rw-r--r-- root/root 8539 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/utils_O3.py -rw-r--r-- root/root 8817 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/utils/utils_O4.py -rw-r--r-- root/root 60 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc/version.py drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc-1.5.4.dist-info/ -rw-r--r-- root/root 7 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc-1.5.4.dist-info/INSTALLER -rw-r--r-- root/root 3778 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc-1.5.4.dist-info/METADATA -rw-r--r-- root/root 91 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc-1.5.4.dist-info/WHEEL -rw-r--r-- root/root 6 2025-09-12 07:37 ./usr/lib/python3/dist-packages/symfc-1.5.4.dist-info/top_level.txt drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/share/ drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/share/doc/ drwxr-xr-x root/root 0 2025-09-12 07:37 ./usr/share/doc/python3-symfc/ -rw-r--r-- root/root 163 2025-09-12 07:37 ./usr/share/doc/python3-symfc/changelog.Debian.gz -rw-r--r-- root/root 574 2025-09-12 07:37 ./usr/share/doc/python3-symfc/changelog.gz -rw-r--r-- root/root 1839 2025-09-12 07:37 ./usr/share/doc/python3-symfc/copyright | |
| copyright of python3-symfc_1.5.4-1_all.deb (click to toggle) | |
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Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
Source: https://github.com/symfc/symfc
Upstream-Name: symfc
Upstream-Contact: https://github.com/symfc/symfc/issues
Files: *
Copyright: 2023, symfc project
License: BSD-3-Clause
Files: debian/*
Copyright: 2025, Andrius Merkys <merkys@debian.org>
License: BSD-3-Clause
License: BSD-3-Clause
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
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1. Redistributions of source code must retain the above copyright notice, this
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2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
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3. Neither the name of the copyright holder nor the names of its
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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Timestamp: 12.09.2025 / 11:03:36 (UTC)