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author | CoprDistGit <infra@openeuler.org> | 2023-05-18 06:56:43 +0000 |
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committer | CoprDistGit <infra@openeuler.org> | 2023-05-18 06:56:43 +0000 |
commit | de0f6733a477dadded71aaad6891fcf7110c96f7 (patch) | |
tree | 3187a2d1e8686f61693c3d45bb1a75b5ce232b81 | |
parent | 442f6843e3455ab388730fb28a38633f8adc830d (diff) |
automatic import of python-oxdna-analysis-tools
-rw-r--r-- | .gitignore | 1 | ||||
-rw-r--r-- | python-oxdna-analysis-tools.spec | 106 | ||||
-rw-r--r-- | sources | 1 |
3 files changed, 108 insertions, 0 deletions
@@ -0,0 +1 @@ +/oxDNA_analysis_tools-2.0.3.tar.gz diff --git a/python-oxdna-analysis-tools.spec b/python-oxdna-analysis-tools.spec new file mode 100644 index 0000000..52dd406 --- /dev/null +++ b/python-oxdna-analysis-tools.spec @@ -0,0 +1,106 @@ +%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.nju.edu.cn/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 May 18 2023 Python_Bot <Python_Bot@openeuler.org> - 2.0.3-1 +- Package Spec generated @@ -0,0 +1 @@ +969491c343414b7f49ce79567c3034dd oxDNA_analysis_tools-2.0.3.tar.gz |