Dmitry Roshchin
4043df49c0
- Update to version 2.10:
* Improvement of the ring statistics algorithm, that can now be
up to twice faster.
* Minor bug correction in the calculation of bond distances
during ring statistics calculations.
* Few minor bug corrections
- Update to version 2.9:
* Minor bug correction for bond angles and dihedral angles
calculation for systems with more than 2 chemical species.
- Update to version 2.8:
* Bug correction in calculation of inter-atomic distances
for non-cubic system when wrapping unwrapped MD trajectory.
- Update to version 2.7:
* Bug correction in calculation of inter-atomic distances
for non-cubic system when wrapping unwrapped MD trajectory.
- Update to version 2.6:
* Bug correction in the calculation of cell parameters for
non-cubic systems that might affects particular cases.
* Improvements here and there.
- Update to version 2.5:
* Major bug correction for the calculation of the dihedral angles
* Minor bugs corrections and improvements of the GUI
- Update to version 2.4:
* Bug correction for the calculation of the MSD
* Minor bugs corrections and improvements of the GUI
- Clean up spec file
OBS-URL: https://build.opensuse.org/request/show/1224619
OBS-URL: https://build.opensuse.org/package/show/science/ISAACS?expand=0&rev=6
71 lines
2.1 KiB
RPMSpec
71 lines
2.1 KiB
RPMSpec
#
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# spec file for package isaacs
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#
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# Copyright (c) 2024 SUSE LLC
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#
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# All modifications and additions to the file contributed by third parties
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# remain the property of their copyright owners, unless otherwise agreed
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# upon. The license for this file, and modifications and additions to the
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# file, is the same license as for the pristine package itself (unless the
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# license for the pristine package is not an Open Source License, in which
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# case the license is the MIT License). An "Open Source License" is a
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# license that conforms to the Open Source Definition (Version 1.9)
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# published by the Open Source Initiative.
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# Please submit bugfixes or comments via http://bugs.opensuse.org/
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#
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Name: isaacs
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Version: 2.10
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Release: 0
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Summary: Interactive Structure Analysis of Amorphous and Crystalline Systems
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License: GPL-3.0
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Group: Productivity/Scientific/Physics
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URL: https://isaacs.sourceforge.io/
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Source0: https://prdownloads.sourceforge.net/isaacs/isaacs-%{version}.tar.bz2
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BuildRequires: cairo-devel
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BuildRequires: desktop-file-utils
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BuildRequires: fdupes
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BuildRequires: gcc
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BuildRequires: gcc-fortran
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BuildRequires: gtk2-devel
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# gtk-update-icon-cache is in gtk3-tools
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BuildRequires: gtk3-tools
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BuildRequires: libxml2-devel
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%description
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Interactive Structure Analysis of Amorphous and Crystalline Systems
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I.S.A.A.C.S. is a computer program dedicated to the study of the
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structural properties of 3D models of materials (liquid, glass,
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crystal) and isolated molecules generated using computer simulations.
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%prep
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%autosetup
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%build
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%configure
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# Missing dependencies in Makefile on parameters.mod
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%make_build -C src parameters.o
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%make_build
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%install
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%make_install
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%fdupes -s %{buildroot}%{_prefix}
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%__mv %{buildroot}%{_datadir}/%{name}/%{name}.desktop \
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%{buildroot}%{_datadir}/applications/%{name}.desktop
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%files
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%doc
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%{_bindir}/isaacs
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%{_datadir}/doc/isaacs/
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%{_datadir}/isaacs/
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%{_datadir}/bash-completion
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%{_datadir}/bash-completion/isaacs
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%{_datadir}/applications/%{name}.desktop
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%{_sysconfdir}/bash_completion.d
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%config %{_sysconfdir}/bash_completion.d/isaacs
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%changelog
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