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%global _empty_manifest_terminate_build 0
Name: python-oxDNA-analysis-tools
Version: 2.0.3
Release: 1
Summary: Python scripts and libraries for structural analysis of oxDNA simulations.
License: GNU General Public License v3 (GPLv3)
URL: https://github.com/sulcgroup/oxdna_analysis_tools
Source0: https://mirrors.aliyun.com/pypi/web/packages/ec/87/0ca423a5c8229bc22b04bb715c4836ad5a9529ce760444aeedfc47867980/oxDNA_analysis_tools-2.0.3.tar.gz
BuildArch: noarch
Requires: python3-numpy
Requires: python3-scikit-learn
Requires: python3-matplotlib
Requires: python3-biopython
%description
## Using oxDNA analysis tools
Once installed, all standalone scripts can be called from the command line via the following invocation:
`oat <script name> <script arguments>`
For example, to compute the mean structure and deviations of a file called `trajectory.dat` using 4 CPUs and outputting to files called `mean.dat` and `devs.json`, you would run:
`oat mean -p 4 -o mean.dat -d devs.json trajectory.dat`
To see a detailed description of the script command line arguments, run the script with the `-h` flag.
For a full list of scripts and arguments, please see the [documentation](https://lorenzo-rovigatti.github.io/oxDNA/oat/cli.html).
These scripts are intended to be extensible and re-used for custom analysis by users. The functions in this library can be imported into your Python scripts via:
`from oxDNA_analysis_tools.<script name> import <object name>`
So for example, if you would like to use the file reader, you would include the following in your imports:
`from oxDNA_analysis_tools.UTILS.RyeReader import describe, get_confs`
%package -n python3-oxDNA-analysis-tools
Summary: Python scripts and libraries for structural analysis of oxDNA simulations.
Provides: python-oxDNA-analysis-tools
BuildRequires: python3-devel
BuildRequires: python3-setuptools
BuildRequires: python3-pip
%description -n python3-oxDNA-analysis-tools
## Using oxDNA analysis tools
Once installed, all standalone scripts can be called from the command line via the following invocation:
`oat <script name> <script arguments>`
For example, to compute the mean structure and deviations of a file called `trajectory.dat` using 4 CPUs and outputting to files called `mean.dat` and `devs.json`, you would run:
`oat mean -p 4 -o mean.dat -d devs.json trajectory.dat`
To see a detailed description of the script command line arguments, run the script with the `-h` flag.
For a full list of scripts and arguments, please see the [documentation](https://lorenzo-rovigatti.github.io/oxDNA/oat/cli.html).
These scripts are intended to be extensible and re-used for custom analysis by users. The functions in this library can be imported into your Python scripts via:
`from oxDNA_analysis_tools.<script name> import <object name>`
So for example, if you would like to use the file reader, you would include the following in your imports:
`from oxDNA_analysis_tools.UTILS.RyeReader import describe, get_confs`
%package help
Summary: Development documents and examples for oxDNA-analysis-tools
Provides: python3-oxDNA-analysis-tools-doc
%description help
## Using oxDNA analysis tools
Once installed, all standalone scripts can be called from the command line via the following invocation:
`oat <script name> <script arguments>`
For example, to compute the mean structure and deviations of a file called `trajectory.dat` using 4 CPUs and outputting to files called `mean.dat` and `devs.json`, you would run:
`oat mean -p 4 -o mean.dat -d devs.json trajectory.dat`
To see a detailed description of the script command line arguments, run the script with the `-h` flag.
For a full list of scripts and arguments, please see the [documentation](https://lorenzo-rovigatti.github.io/oxDNA/oat/cli.html).
These scripts are intended to be extensible and re-used for custom analysis by users. The functions in this library can be imported into your Python scripts via:
`from oxDNA_analysis_tools.<script name> import <object name>`
So for example, if you would like to use the file reader, you would include the following in your imports:
`from oxDNA_analysis_tools.UTILS.RyeReader import describe, get_confs`
%prep
%autosetup -n oxDNA_analysis_tools-2.0.3
%build
%py3_build
%install
%py3_install
install -d -m755 %{buildroot}/%{_pkgdocdir}
if [ -d doc ]; then cp -arf doc %{buildroot}/%{_pkgdocdir}; fi
if [ -d docs ]; then cp -arf docs %{buildroot}/%{_pkgdocdir}; fi
if [ -d example ]; then cp -arf example %{buildroot}/%{_pkgdocdir}; fi
if [ -d examples ]; then cp -arf examples %{buildroot}/%{_pkgdocdir}; fi
pushd %{buildroot}
if [ -d usr/lib ]; then
find usr/lib -type f -printf "\"/%h/%f\"\n" >> filelist.lst
fi
if [ -d usr/lib64 ]; then
find usr/lib64 -type f -printf "\"/%h/%f\"\n" >> filelist.lst
fi
if [ -d usr/bin ]; then
find usr/bin -type f -printf "\"/%h/%f\"\n" >> filelist.lst
fi
if [ -d usr/sbin ]; then
find usr/sbin -type f -printf "\"/%h/%f\"\n" >> filelist.lst
fi
touch doclist.lst
if [ -d usr/share/man ]; then
find usr/share/man -type f -printf "\"/%h/%f.gz\"\n" >> doclist.lst
fi
popd
mv %{buildroot}/filelist.lst .
mv %{buildroot}/doclist.lst .
%files -n python3-oxDNA-analysis-tools -f filelist.lst
%dir %{python3_sitelib}/*
%files help -f doclist.lst
%{_docdir}/*
%changelog
* Thu Jun 08 2023 Python_Bot <Python_Bot@openeuler.org> - 2.0.3-1
- Package Spec generated
|
