diff options
| author | CoprDistGit <infra@openeuler.org> | 2023-05-10 07:20:32 +0000 |
|---|---|---|
| committer | CoprDistGit <infra@openeuler.org> | 2023-05-10 07:20:32 +0000 |
| commit | 71c38de5aca98e1e9a21a8f7053752197cdd7e9f (patch) | |
| tree | 07ea9949b5b50a1c5676e48a83bbe25aa7c82eb6 | |
| parent | 90fc26f029dfea0222eab3b765f045f074b214a1 (diff) | |
automatic import of python-amset
| -rw-r--r-- | .gitignore | 1 | ||||
| -rw-r--r-- | python-amset.spec | 165 | ||||
| -rw-r--r-- | sources | 1 |
3 files changed, 167 insertions, 0 deletions
@@ -0,0 +1 @@ +/amset-0.4.18.tar.gz diff --git a/python-amset.spec b/python-amset.spec new file mode 100644 index 0000000..c2b1a8e --- /dev/null +++ b/python-amset.spec @@ -0,0 +1,165 @@ +%global _empty_manifest_terminate_build 0 +Name: python-amset +Version: 0.4.18 +Release: 1 +Summary: AMSET is a tool to calculate carrier transport properties from ab initio calculation data +License: modified BSD +URL: https://github.com/hackingmaterials/amset +Source0: https://mirrors.nju.edu.cn/pypi/web/packages/03/52/9d9d18c48591c27b8a406961bc5544ef6ecf7dd71955579b9ab9250772d3/amset-0.4.18.tar.gz +BuildArch: noarch + +Requires: python3-pymatgen +Requires: python3-scipy +Requires: python3-monty +Requires: python3-matplotlib +Requires: python3-BoltzTraP2 +Requires: python3-tqdm +Requires: python3-tabulate +Requires: python3-memory-profiler +Requires: python3-spglib +Requires: python3-click +Requires: python3-sumo +Requires: python3-h5py +Requires: python3-pyFFTW +Requires: python3-interpolation +Requires: python3-numba +Requires: python3-pawpyseed +Requires: python3-coverage +Requires: python3-codacy-coverage +Requires: python3-pycodestyle +Requires: python3-mypy +Requires: python3-pydocstyle +Requires: python3-flake8 +Requires: python3-pylint +Requires: python3-black +Requires: python3-pre-commit +Requires: python3-mkdocs +Requires: python3-mkdocs-material +Requires: python3-mkdocs-minify-plugin +Requires: python3-mkdocs-macros-plugin +Requires: python3-markdown-include +Requires: python3-markdown-katex +Requires: python3-pytest +Requires: python3-pytest-cov + +%description +# <img alt="amset" src="https://raw.githubusercontent.com/hackingmaterials/amset/main/docs/src/amset_logo.png" width="250"> + +AMSET is a package for calculating electronic transport properties from +first-principles calculations. + +- **Website (including documentation):** https://hackingmaterials.lbl.gov/amset/ +- **Help/Support:** https://discuss.matsci.org/c/amset +- **Source:** https://github.com/hackingmaterials/amset + +If you find AMSET useful, please consider citing [our paper](https://www.nature.com/articles/s41467-021-22440-5): + +``` +Ganose, A. M., Park, J., Faghaninia, A., Woods-Robinson, R., Persson, K. A., Jain, A. +Efficient calculation of carrier scattering rates from first principles. +Nat. Commun. 12, 2222 (2021) +``` + +Interested in contributing? See our [contribution guidelines](https://github.com/hackingmaterials/amset/blob/main/CONTRIBUTING.md) + + + + +%package -n python3-amset +Summary: AMSET is a tool to calculate carrier transport properties from ab initio calculation data +Provides: python-amset +BuildRequires: python3-devel +BuildRequires: python3-setuptools +BuildRequires: python3-pip +%description -n python3-amset +# <img alt="amset" src="https://raw.githubusercontent.com/hackingmaterials/amset/main/docs/src/amset_logo.png" width="250"> + +AMSET is a package for calculating electronic transport properties from +first-principles calculations. + +- **Website (including documentation):** https://hackingmaterials.lbl.gov/amset/ +- **Help/Support:** https://discuss.matsci.org/c/amset +- **Source:** https://github.com/hackingmaterials/amset + +If you find AMSET useful, please consider citing [our paper](https://www.nature.com/articles/s41467-021-22440-5): + +``` +Ganose, A. M., Park, J., Faghaninia, A., Woods-Robinson, R., Persson, K. A., Jain, A. +Efficient calculation of carrier scattering rates from first principles. +Nat. Commun. 12, 2222 (2021) +``` + +Interested in contributing? See our [contribution guidelines](https://github.com/hackingmaterials/amset/blob/main/CONTRIBUTING.md) + + + + +%package help +Summary: Development documents and examples for amset +Provides: python3-amset-doc +%description help +# <img alt="amset" src="https://raw.githubusercontent.com/hackingmaterials/amset/main/docs/src/amset_logo.png" width="250"> + +AMSET is a package for calculating electronic transport properties from +first-principles calculations. + +- **Website (including documentation):** https://hackingmaterials.lbl.gov/amset/ +- **Help/Support:** https://discuss.matsci.org/c/amset +- **Source:** https://github.com/hackingmaterials/amset + +If you find AMSET useful, please consider citing [our paper](https://www.nature.com/articles/s41467-021-22440-5): + +``` +Ganose, A. M., Park, J., Faghaninia, A., Woods-Robinson, R., Persson, K. A., Jain, A. +Efficient calculation of carrier scattering rates from first principles. +Nat. Commun. 12, 2222 (2021) +``` + +Interested in contributing? See our [contribution guidelines](https://github.com/hackingmaterials/amset/blob/main/CONTRIBUTING.md) + + + + +%prep +%autosetup -n amset-0.4.18 + +%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-amset -f filelist.lst +%dir %{python3_sitelib}/* + +%files help -f doclist.lst +%{_docdir}/* + +%changelog +* Wed May 10 2023 Python_Bot <Python_Bot@openeuler.org> - 0.4.18-1 +- Package Spec generated @@ -0,0 +1 @@ +5ca758eed6ab952195db985263769332 amset-0.4.18.tar.gz |
