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authorCoprDistGit <infra@openeuler.org>2023-05-18 05:15:28 +0000
committerCoprDistGit <infra@openeuler.org>2023-05-18 05:15:28 +0000
commit3352e0b1aaad3956bfe8d7f684a16ed980dd60a3 (patch)
treef62f4bfbaca48a423e7440a86f7f68ceff891846
parentbb6e6e0c507431230f06dfeb287f8b15df6b212d (diff)
automatic import of python-trexio
-rw-r--r--.gitignore1
-rw-r--r--python-trexio.spec361
-rw-r--r--sources1
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diff --git a/.gitignore b/.gitignore
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--- a/.gitignore
+++ b/.gitignore
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+/trexio-1.3.2.tar.gz
diff --git a/python-trexio.spec b/python-trexio.spec
new file mode 100644
index 0000000..2f57171
--- /dev/null
+++ b/python-trexio.spec
@@ -0,0 +1,361 @@
+%global _empty_manifest_terminate_build 0
+Name: python-trexio
+Version: 1.3.2
+Release: 1
+Summary: Python API of the TREXIO library
+License: BSD
+URL: https://github.com/TREX-CoE/trexio
+Source0: https://mirrors.nju.edu.cn/pypi/web/packages/a4/14/0170089577ec974a808106a0589e7bc641ff39bc00e9a34463a9bd2b5d9b/trexio-1.3.2.tar.gz
+BuildArch: noarch
+
+Requires: python3-numpy
+
+%description
+
+# TREXIO Python API
+
+[![PyPI version](https://badge.fury.io/py/trexio.svg)](https://badge.fury.io/py/trexio)
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/TREX-CoE/trexio-tutorials/HEAD)
+
+TREXIO provides a Python API, which enables interactive calls to the library.
+It facilitates the development of interfaces between different codes and
+can be used to convert data from one input/output file format into another.
+
+
+## Requirements
+
+- python3 (>= 3.6)
+- numpy (>= 1.17.3)
+
+## Installation from PyPI
+
+In short, you can run the following command:
+
+`pip install trexio`
+
+However, it is good practice to first check for updates of the build-system packages. This can be achieved by running
+
+`python -m pip install --upgrade pip setuptools build wheel`
+
+**Note: we highly recommend to use virtual environments to avoid compatibility issues and to improve reproducibility.**
+For more details, see the corresponding part of the [Python documentation](https://docs.python.org/3/library/venv.html#creating-virtual-environments).
+
+
+## Additional requirements (for installation from source)
+
+- C compiler (gcc/icc/clang)
+- HDF5 library (>= 1.8)
+- pkgconfig (Python package)
+- build (Python package)
+- pytest (Python package)
+
+## Installation from source
+
+1. Download the `trexio-<version>.tar.gz` file with the latest Python API
+2. `gzip -cd trexio-<version>.tar.gz | tar xvf -`
+3. `cd trexio-<version>`
+4. `pip install -r requirements.txt` (this installs all required python dependencies)
+5. Export custom environment variables needed for the installation following the procedure below and replacing `/path/to/hdf5/` with your paths.
+The following two steps can be skipped if HDF5 is properly configured for `pkg-config` (i.e. if executing `pkg-config --libs hdf5` returns a list of options).
+ - `export H5_CFLAGS=-I/path/to/hdf5/include`
+ - `export H5_LDFLAGS=-L/path/to/hdf5/lib`
+6. `pip install .` (this installs `trexio` in your environment)
+7. `cd test && python -m pytest -v test_api.py` (this executes several tests that verify the installation)
+
+You are ready to go!
+
+**Note:**
+installation based on `pip` compiles its own C extension (shared library) called `pytrexio`.
+This extension is built from the TREXIO source files coupled to the wrapper code generated by [SWIG](http://www.swig.org/).
+The compiler options during this installation may differ from the ones used to compile the primary TREXIO API in C.
+Furthermore, custom compiler flags provided to `./configure` or `make` are not applied to the Python API.
+
+
+## Examples
+
+An interactive Jupyter notebook called `tutorial_benzene.ipynb` is provided in the `examples` directory.
+The notebook can be lauched either locally (see [next section](#Running-the-notebook) for details) or using [pre-built environment on Binder](https://mybinder.org/v2/gh/TREX-CoE/trexio-tutorials/HEAD?filepath=notebooks%2Ftutorial_benzene.ipynb).
+
+Jupyter can be installed using `pip install jupyter`. If you are not familiar with it, feel free to consult the [Jupyter documentation](https://jupyter-notebook.readthedocs.io/en/stable/notebook.html).
+
+
+### Running the notebook
+
+The example notebook can be launched using the following command:
+
+`jupyter notebook tutorial_benzene.ipynb`
+
+
+### Additional steps needed to run a custom virtual environment in Jupyter notebooks
+
+In some cases, it may happen that the Jupyter kernels in the activated virtual environment (e.g. `myvenv`) still point to the system-wide python binaries and not to the environment ones.
+This will result in `ImportError` when importing `trexio` in the notebook cell. In order to avoid this, the `myvenv` has to be installed as an additional kernel.
+This requires `ipykernel` python package, which usually comes together with the Jupyter installation. If this is not the case, run `pip install ipykernel`.
+You can install `myvenv` as a kernel by executing the following command:
+
+`python3 -m ipykernel install --user --name=myvenv`
+
+Now you can launch a Jupyter notebook. Once it is open, make sure that your virtual environment is selected as the current kernel.
+If this is not the case, try this:
+
+1. Press the `Kernel` button in the navigation panel
+2. In the output list of options select `Change kernel`
+3. Find the name of your virtual environment (e.g. `myvenv`) in the list and select it
+
+That's it, you have activated the custom virtual environment called `myvenv` in your notebook.
+
+To uninstall the kernel named `myvenv`, execute the following command:
+
+`jupyter kernelspec uninstall myvenv`
+
+
+%package -n python3-trexio
+Summary: Python API of the TREXIO library
+Provides: python-trexio
+BuildRequires: python3-devel
+BuildRequires: python3-setuptools
+BuildRequires: python3-pip
+%description -n python3-trexio
+
+# TREXIO Python API
+
+[![PyPI version](https://badge.fury.io/py/trexio.svg)](https://badge.fury.io/py/trexio)
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/TREX-CoE/trexio-tutorials/HEAD)
+
+TREXIO provides a Python API, which enables interactive calls to the library.
+It facilitates the development of interfaces between different codes and
+can be used to convert data from one input/output file format into another.
+
+
+## Requirements
+
+- python3 (>= 3.6)
+- numpy (>= 1.17.3)
+
+## Installation from PyPI
+
+In short, you can run the following command:
+
+`pip install trexio`
+
+However, it is good practice to first check for updates of the build-system packages. This can be achieved by running
+
+`python -m pip install --upgrade pip setuptools build wheel`
+
+**Note: we highly recommend to use virtual environments to avoid compatibility issues and to improve reproducibility.**
+For more details, see the corresponding part of the [Python documentation](https://docs.python.org/3/library/venv.html#creating-virtual-environments).
+
+
+## Additional requirements (for installation from source)
+
+- C compiler (gcc/icc/clang)
+- HDF5 library (>= 1.8)
+- pkgconfig (Python package)
+- build (Python package)
+- pytest (Python package)
+
+## Installation from source
+
+1. Download the `trexio-<version>.tar.gz` file with the latest Python API
+2. `gzip -cd trexio-<version>.tar.gz | tar xvf -`
+3. `cd trexio-<version>`
+4. `pip install -r requirements.txt` (this installs all required python dependencies)
+5. Export custom environment variables needed for the installation following the procedure below and replacing `/path/to/hdf5/` with your paths.
+The following two steps can be skipped if HDF5 is properly configured for `pkg-config` (i.e. if executing `pkg-config --libs hdf5` returns a list of options).
+ - `export H5_CFLAGS=-I/path/to/hdf5/include`
+ - `export H5_LDFLAGS=-L/path/to/hdf5/lib`
+6. `pip install .` (this installs `trexio` in your environment)
+7. `cd test && python -m pytest -v test_api.py` (this executes several tests that verify the installation)
+
+You are ready to go!
+
+**Note:**
+installation based on `pip` compiles its own C extension (shared library) called `pytrexio`.
+This extension is built from the TREXIO source files coupled to the wrapper code generated by [SWIG](http://www.swig.org/).
+The compiler options during this installation may differ from the ones used to compile the primary TREXIO API in C.
+Furthermore, custom compiler flags provided to `./configure` or `make` are not applied to the Python API.
+
+
+## Examples
+
+An interactive Jupyter notebook called `tutorial_benzene.ipynb` is provided in the `examples` directory.
+The notebook can be lauched either locally (see [next section](#Running-the-notebook) for details) or using [pre-built environment on Binder](https://mybinder.org/v2/gh/TREX-CoE/trexio-tutorials/HEAD?filepath=notebooks%2Ftutorial_benzene.ipynb).
+
+Jupyter can be installed using `pip install jupyter`. If you are not familiar with it, feel free to consult the [Jupyter documentation](https://jupyter-notebook.readthedocs.io/en/stable/notebook.html).
+
+
+### Running the notebook
+
+The example notebook can be launched using the following command:
+
+`jupyter notebook tutorial_benzene.ipynb`
+
+
+### Additional steps needed to run a custom virtual environment in Jupyter notebooks
+
+In some cases, it may happen that the Jupyter kernels in the activated virtual environment (e.g. `myvenv`) still point to the system-wide python binaries and not to the environment ones.
+This will result in `ImportError` when importing `trexio` in the notebook cell. In order to avoid this, the `myvenv` has to be installed as an additional kernel.
+This requires `ipykernel` python package, which usually comes together with the Jupyter installation. If this is not the case, run `pip install ipykernel`.
+You can install `myvenv` as a kernel by executing the following command:
+
+`python3 -m ipykernel install --user --name=myvenv`
+
+Now you can launch a Jupyter notebook. Once it is open, make sure that your virtual environment is selected as the current kernel.
+If this is not the case, try this:
+
+1. Press the `Kernel` button in the navigation panel
+2. In the output list of options select `Change kernel`
+3. Find the name of your virtual environment (e.g. `myvenv`) in the list and select it
+
+That's it, you have activated the custom virtual environment called `myvenv` in your notebook.
+
+To uninstall the kernel named `myvenv`, execute the following command:
+
+`jupyter kernelspec uninstall myvenv`
+
+
+%package help
+Summary: Development documents and examples for trexio
+Provides: python3-trexio-doc
+%description help
+
+# TREXIO Python API
+
+[![PyPI version](https://badge.fury.io/py/trexio.svg)](https://badge.fury.io/py/trexio)
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/TREX-CoE/trexio-tutorials/HEAD)
+
+TREXIO provides a Python API, which enables interactive calls to the library.
+It facilitates the development of interfaces between different codes and
+can be used to convert data from one input/output file format into another.
+
+
+## Requirements
+
+- python3 (>= 3.6)
+- numpy (>= 1.17.3)
+
+## Installation from PyPI
+
+In short, you can run the following command:
+
+`pip install trexio`
+
+However, it is good practice to first check for updates of the build-system packages. This can be achieved by running
+
+`python -m pip install --upgrade pip setuptools build wheel`
+
+**Note: we highly recommend to use virtual environments to avoid compatibility issues and to improve reproducibility.**
+For more details, see the corresponding part of the [Python documentation](https://docs.python.org/3/library/venv.html#creating-virtual-environments).
+
+
+## Additional requirements (for installation from source)
+
+- C compiler (gcc/icc/clang)
+- HDF5 library (>= 1.8)
+- pkgconfig (Python package)
+- build (Python package)
+- pytest (Python package)
+
+## Installation from source
+
+1. Download the `trexio-<version>.tar.gz` file with the latest Python API
+2. `gzip -cd trexio-<version>.tar.gz | tar xvf -`
+3. `cd trexio-<version>`
+4. `pip install -r requirements.txt` (this installs all required python dependencies)
+5. Export custom environment variables needed for the installation following the procedure below and replacing `/path/to/hdf5/` with your paths.
+The following two steps can be skipped if HDF5 is properly configured for `pkg-config` (i.e. if executing `pkg-config --libs hdf5` returns a list of options).
+ - `export H5_CFLAGS=-I/path/to/hdf5/include`
+ - `export H5_LDFLAGS=-L/path/to/hdf5/lib`
+6. `pip install .` (this installs `trexio` in your environment)
+7. `cd test && python -m pytest -v test_api.py` (this executes several tests that verify the installation)
+
+You are ready to go!
+
+**Note:**
+installation based on `pip` compiles its own C extension (shared library) called `pytrexio`.
+This extension is built from the TREXIO source files coupled to the wrapper code generated by [SWIG](http://www.swig.org/).
+The compiler options during this installation may differ from the ones used to compile the primary TREXIO API in C.
+Furthermore, custom compiler flags provided to `./configure` or `make` are not applied to the Python API.
+
+
+## Examples
+
+An interactive Jupyter notebook called `tutorial_benzene.ipynb` is provided in the `examples` directory.
+The notebook can be lauched either locally (see [next section](#Running-the-notebook) for details) or using [pre-built environment on Binder](https://mybinder.org/v2/gh/TREX-CoE/trexio-tutorials/HEAD?filepath=notebooks%2Ftutorial_benzene.ipynb).
+
+Jupyter can be installed using `pip install jupyter`. If you are not familiar with it, feel free to consult the [Jupyter documentation](https://jupyter-notebook.readthedocs.io/en/stable/notebook.html).
+
+
+### Running the notebook
+
+The example notebook can be launched using the following command:
+
+`jupyter notebook tutorial_benzene.ipynb`
+
+
+### Additional steps needed to run a custom virtual environment in Jupyter notebooks
+
+In some cases, it may happen that the Jupyter kernels in the activated virtual environment (e.g. `myvenv`) still point to the system-wide python binaries and not to the environment ones.
+This will result in `ImportError` when importing `trexio` in the notebook cell. In order to avoid this, the `myvenv` has to be installed as an additional kernel.
+This requires `ipykernel` python package, which usually comes together with the Jupyter installation. If this is not the case, run `pip install ipykernel`.
+You can install `myvenv` as a kernel by executing the following command:
+
+`python3 -m ipykernel install --user --name=myvenv`
+
+Now you can launch a Jupyter notebook. Once it is open, make sure that your virtual environment is selected as the current kernel.
+If this is not the case, try this:
+
+1. Press the `Kernel` button in the navigation panel
+2. In the output list of options select `Change kernel`
+3. Find the name of your virtual environment (e.g. `myvenv`) in the list and select it
+
+That's it, you have activated the custom virtual environment called `myvenv` in your notebook.
+
+To uninstall the kernel named `myvenv`, execute the following command:
+
+`jupyter kernelspec uninstall myvenv`
+
+
+%prep
+%autosetup -n trexio-1.3.2
+
+%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-trexio -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Thu May 18 2023 Python_Bot <Python_Bot@openeuler.org> - 1.3.2-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
index 0000000..2967acc
--- /dev/null
+++ b/sources
@@ -0,0 +1 @@
+4f7ff6369daae56b153c72a5c18f4438 trexio-1.3.2.tar.gz