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%global _empty_manifest_terminate_build 0
Name: python-plams
Version: 1.5.1
Release: 1
Summary: Python Library for Automating Molecular Simulations
License: LGPLv3
URL: https://www.scm.com/doc/plams/
Source0: https://mirrors.nju.edu.cn/pypi/web/packages/d2/28/dd41cd4707649b05edea728c602e5250dbb0a48fc114269ee662dce4233a/plams-1.5.1.tar.gz
BuildArch: noarch
Requires: python3-dill
Requires: python3-numpy
%description
PLAMS is a library providing powerful, flexible and easily extendable Python interface to molecular modeling programs. It takes care of input preparation, job execution, file management and output data extraction. It helps with building advanced data workflows that can be executed in parallel, either locally or by submitting to a resource manager queue.
Please check the project's GitHub page for more information: https://github.com/SCM-NV/PLAMS
PLAMS is an Open Source project supported by `Software for Chemistry & Materials B.V. <https://www.scm.com>`_
%package -n python3-plams
Summary: Python Library for Automating Molecular Simulations
Provides: python-plams
BuildRequires: python3-devel
BuildRequires: python3-setuptools
BuildRequires: python3-pip
%description -n python3-plams
PLAMS is a library providing powerful, flexible and easily extendable Python interface to molecular modeling programs. It takes care of input preparation, job execution, file management and output data extraction. It helps with building advanced data workflows that can be executed in parallel, either locally or by submitting to a resource manager queue.
Please check the project's GitHub page for more information: https://github.com/SCM-NV/PLAMS
PLAMS is an Open Source project supported by `Software for Chemistry & Materials B.V. <https://www.scm.com>`_
%package help
Summary: Development documents and examples for plams
Provides: python3-plams-doc
%description help
PLAMS is a library providing powerful, flexible and easily extendable Python interface to molecular modeling programs. It takes care of input preparation, job execution, file management and output data extraction. It helps with building advanced data workflows that can be executed in parallel, either locally or by submitting to a resource manager queue.
Please check the project's GitHub page for more information: https://github.com/SCM-NV/PLAMS
PLAMS is an Open Source project supported by `Software for Chemistry & Materials B.V. <https://www.scm.com>`_
%prep
%autosetup -n plams-1.5.1
%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-plams -f filelist.lst
%dir %{python3_sitelib}/*
%files help -f doclist.lst
%{_docdir}/*
%changelog
* Fri May 05 2023 Python_Bot <Python_Bot@openeuler.org> - 1.5.1-1
- Package Spec generated
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