File perl-HackaMol.spec of Package perl-HackaMol

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File perl-HackaMol.spec of Package perl-HackaMol

#
# spec file for package perl-HackaMol
#
# Copyright (c) 2022 SUSE LLC
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
# upon. The license for this file, and modifications and additions to the
# file, is the same license as for the pristine package itself (unless the
# license for the pristine package is not an Open Source License, in which
# case the license is the MIT License). An "Open Source License" is a
# license that conforms to the Open Source Definition (Version 1.9)
# published by the Open Source Initiative.

# Please submit bugfixes or comments via https://bugs.opensuse.org/
#

%define cpan_name HackaMol
Name:           perl-HackaMol
Version:        0.053
Release:        0
License:        Artistic-1.0 OR GPL-1.0-or-later
Summary:        HackaMol: Object-Oriented Library for Molecular Hacking
URL:            https://metacpan.org/release/%{cpan_name}
Source0:        https://cpan.metacpan.org/authors/id/D/DE/DEMIAN/%{cpan_name}-%{version}.tar.gz
BuildArch:      noarch
BuildRequires:  perl
BuildRequires:  perl-macros
BuildRequires:  perl(Capture::Tiny) >= 0.46
BuildRequires:  perl(Cwd) >= 3.6
BuildRequires:  perl(HTTP::Tiny) >= 0.070
BuildRequires:  perl(JSON::XS) >= 3.04
BuildRequires:  perl(List::MoreUtils) >= 0.428
BuildRequires:  perl(MCE) >= 1.83
BuildRequires:  perl(Math::Vector::Real) >= 0.18
BuildRequires:  perl(Math::Vector::Real::Random) >= 0.03
BuildRequires:  perl(Math::Vector::Real::XS) >= 0.10
BuildRequires:  perl(Math::Vector::Real::kdTree) >= 0.15
BuildRequires:  perl(Modern::Perl) >= 1.20
BuildRequires:  perl(Moose) >= 2.20
BuildRequires:  perl(MooseX::StrictConstructor) >= 0.21
BuildRequires:  perl(MooseX::Types::Path::Tiny) >= 0.012
BuildRequires:  perl(Path::Tiny) >= 0.104
BuildRequires:  perl(Test::Dir) >= 0.0
BuildRequires:  perl(Test::Fatal) >= 0.014
BuildRequires:  perl(Test::Moose) >= 2.20
BuildRequires:  perl(Test::More) >= 1.3
BuildRequires:  perl(Test::Output) >= 1.03
BuildRequires:  perl(Test::Warn) >= 0.30
BuildRequires:  perl(Time::HiRes) >= 1.975
BuildRequires:  perl(YAML::XS) >= 0.69
BuildRequires:  perl(namespace::autoclean)
Requires:       perl(Capture::Tiny) >= 0.46
Requires:       perl(Cwd) >= 3.6
Requires:       perl(HTTP::Tiny) >= 0.070
Requires:       perl(JSON::XS) >= 3.04
Requires:       perl(List::MoreUtils) >= 0.428
Requires:       perl(MCE) >= 1.83
Requires:       perl(Math::Vector::Real) >= 0.18
Requires:       perl(Math::Vector::Real::Random) >= 0.03
Requires:       perl(Math::Vector::Real::XS) >= 0.10
Requires:       perl(Math::Vector::Real::kdTree) >= 0.15
Requires:       perl(Modern::Perl) >= 1.20
Requires:       perl(Moose) >= 2.20
Requires:       perl(MooseX::StrictConstructor) >= 0.21
Requires:       perl(MooseX::Types::Path::Tiny) >= 0.012
Requires:       perl(Path::Tiny) >= 0.104
Requires:       perl(Test::Dir) >= 0.0
Requires:       perl(Test::Fatal) >= 0.014
Requires:       perl(Test::Moose) >= 2.20
Requires:       perl(Test::More) >= 1.3
Requires:       perl(Test::Output) >= 1.03
Requires:       perl(Test::Warn) >= 0.30
Requires:       perl(Time::HiRes) >= 1.975
Requires:       perl(YAML::XS) >= 0.69
Requires:       perl(namespace::autoclean)
%{perl_requires}

%description
The at http://pubs.acs.org/doi/abs/10.1021/ci500359e has a more complete
description of the library (at
http://www.researchgate.net/profile/Demian_Riccardi/publication/273778191_H
ackaMol_an_object-oriented_Modern_Perl_library_for_molecular_hacking_on_mul
tiple_scales/links/550ebec60cf27526109e6ade.pdf).

Citation: J. Chem. Inf. Model., 2015, 55, 721

Loading the HackaMol library in a script with

use HackaMol;

provides attributes and methods of a builder class. It also loads all the
classes provided by the core so including them is not necessary, e.g.:

use HackaMol::Atom;
       use HackaMol::Bond;
       use HackaMol::Angle;
       use HackaMol::Dihedral;
       use HackaMol::AtomGroup;
       use HackaMol::Molecule;

The methods, described below, facilitate the creation of objects from files
and other objects. It is a builder class that evolves more rapidly than the
classes for the molecular objects. For example, the superpose_rt and rmsd
methods will likely be moved to a more suitable class or functional module.

%prep
%autosetup  -n %{cpan_name}-%{version}

%build
perl Makefile.PL INSTALLDIRS=vendor
%make_build

%check
make test

%install
%perl_make_install
%perl_process_packlist
%perl_gen_filelist

%files -f %{name}.files
%doc Changes examples README README.md TODO.md
%license LICENSE LICENSE.md

%changelog

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