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authorCoprDistGit <infra@openeuler.org>2023-05-18 06:56:43 +0000
committerCoprDistGit <infra@openeuler.org>2023-05-18 06:56:43 +0000
commitde0f6733a477dadded71aaad6891fcf7110c96f7 (patch)
tree3187a2d1e8686f61693c3d45bb1a75b5ce232b81
parent442f6843e3455ab388730fb28a38633f8adc830d (diff)
automatic import of python-oxdna-analysis-tools
-rw-r--r--.gitignore1
-rw-r--r--python-oxdna-analysis-tools.spec106
-rw-r--r--sources1
3 files changed, 108 insertions, 0 deletions
diff --git a/.gitignore b/.gitignore
index e69de29..be49972 100644
--- a/.gitignore
+++ b/.gitignore
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+/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
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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.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
diff --git a/sources b/sources
new file mode 100644
index 0000000..162f8a1
--- /dev/null
+++ b/sources
@@ -0,0 +1 @@
+969491c343414b7f49ce79567c3034dd oxDNA_analysis_tools-2.0.3.tar.gz