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Install this package:

emerge -a sci-chemistry/openbabel

Package Information

Description:: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
Homepage:: https://openbabel.org/ https://github.com/openbabel/openbabel/
License:: GPL-2

Versions

Version	EAPI	Keywords	Slot
3.2.1	8	~amd64 ~arm ~x86	0/8.0.0
3.2.0	8	amd64 ~arm ~x86	0/8.0.0

Metadata

Description

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

Maintainers

Gentoo Chemistry Project (sci-chemistry@gentoo.org) - Type: project

Upstream

Remote IDs:
- sourceforge: openbabel
- github: openbabel/openbabel

Raw Metadata XML

<pkgmetadata>
	<maintainer type="project">
		<email>sci-chemistry@gentoo.org</email>
		<name>Gentoo Chemistry Project</name>
	</maintainer>
	<longdescription>
		Open Babel is a chemical toolbox designed to speak the many languages of
		chemical data. It's an open, collaborative project allowing anyone to
		search, convert, analyze, or store data from molecular modeling, chemistry,
		solid-state materials, biochemistry, or related areas.
	</longdescription>
	<use>
		<flag name="inchi">Build support for IUPAC International Chemical Identifier format</flag>
		<flag name="json">Build support for JSON formats (ChemDoodle, PubChem, etc...)</flag>
	</use>
	<upstream>
		<remote-id type="sourceforge">openbabel</remote-id>
		<remote-id type="github">openbabel/openbabel</remote-id>
	</upstream>
</pkgmetadata>

Lint Warnings

[Error] Ebuild 3.2.1 uses '${D}' in 'openbabel-optimize'. It must be used only in src_install and pkg_preinst.
[Error] Ebuild 3.2.0 uses '${D}' in 'openbabel-optimize'. It must be used only in src_install and pkg_preinst.
[Warning] Ebuild 3.2.1 has a line exceeding 80 positions on line 10.
[Warning] Ebuild 3.2.1 has a line exceeding 80 positions on line 22.
[Warning] Ebuild 3.2.1 has a line exceeding 80 positions on line 26.
[Warning] Ebuild 3.2.1 has a line exceeding 80 positions on line 35.
[Warning] Ebuild 3.2.0 has a line exceeding 80 positions on line 10.
[Warning] Ebuild 3.2.0 has a line exceeding 80 positions on line 22.
[Warning] Ebuild 3.2.0 has a line exceeding 80 positions on line 26.
[Warning] Ebuild 3.2.0 has a line exceeding 80 positions on line 35.
[Error] Ebuild sci-chemistry/openbabel/openbabel-3.2.1.ebuild attempts to install into invalid path '/' using 'docinto'.
[Error] Ebuild sci-chemistry/openbabel/openbabel-3.2.1.ebuild attempts to install into invalid path '/' using 'docinto'.
[Error] Ebuild sci-chemistry/openbabel/openbabel-3.2.0.ebuild attempts to install into invalid path '/' using 'docinto'.
[Error] Ebuild sci-chemistry/openbabel/openbabel-3.2.0.ebuild attempts to install into invalid path '/' using 'docinto'.
[Warning] USE flag 'cpu_flags_arm_neon' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'cpu_flags_x86_sse2' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'cpu_flags_x86_sse4_2' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'doc' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'examples' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'minimal' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'openmp' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'perl' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'png' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'python' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'test' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'wxwidgets' in ebuild 3.2.1 is not documented in metadata.xml
[Warning] USE flag 'cpu_flags_arm_neon' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'cpu_flags_x86_sse2' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'cpu_flags_x86_sse4_2' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'doc' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'examples' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'minimal' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'openmp' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'perl' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'png' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'python' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'test' in ebuild 3.2.0 is not documented in metadata.xml
[Warning] USE flag 'wxwidgets' in ebuild 3.2.0 is not documented in metadata.xml
[Error] Manifest entry for unused DIST file 'openbabel-3.2.0.tar.gz'
[Error] Manifest entry for unused DIST file 'openbabel-3.2.1.tar.gz'
[Error] Repository is missing a repo-name in metadata/layout.conf or profiles/repo_name
[Notice] Package has only unstable keywords for arch(es): [ arm, x86 ], all versions are unstable: [ 3.2.0, 3.2.1 ]
[Warning] Ebuild 3.2.1 uses a regular USE flag 'cpu_flags_arm_neon' containing an underscore. Underscores are reserved for USE_EXPAND flags.
[Warning] Ebuild 3.2.1 uses a regular USE flag 'cpu_flags_x86_sse2' containing an underscore. Underscores are reserved for USE_EXPAND flags.
[Warning] Ebuild 3.2.1 uses a regular USE flag 'cpu_flags_x86_sse4_2' containing an underscore. Underscores are reserved for USE_EXPAND flags.
[Warning] Ebuild 3.2.0 uses a regular USE flag 'cpu_flags_arm_neon' containing an underscore. Underscores are reserved for USE_EXPAND flags.
[Warning] Ebuild 3.2.0 uses a regular USE flag 'cpu_flags_x86_sse2' containing an underscore. Underscores are reserved for USE_EXPAND flags.
[Warning] Ebuild 3.2.0 uses a regular USE flag 'cpu_flags_x86_sse4_2' containing an underscore. Underscores are reserved for USE_EXPAND flags.

USE Flags

Manage flags for this package: euse -i <flag> -p sci-chemistry/openbabel | euse -E <flag> -p sci-chemistry/openbabel | euse -D <flag> -p sci-chemistry/openbabel

Flag	Description	3.2.1	3.2.0
cpu_flags_arm_neon	Use the NEON instruction set	✓	✓
cpu_flags_x86_sse2	Use the SSE2 instruction set	✓	✓
cpu_flags_x86_sse4_2	Enable SSE4.2 instruction support	✓	✓
doc	Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally	✓	✓
examples	Install examples, usually source code	✓	✓
inchi	Build support for IUPAC International Chemical Identifier format	⊕	⊕
json	Build support for JSON formats (ChemDoodle, PubChem, etc...)	✓	✓
minimal	Install a very minimal build (disables, for example, plugins, fonts, most drivers, non-critical features)	✓	✓
openmp	Build support for the OpenMP (support parallel computing), requires >=sys-devel/gcc-4.2 built with USE="openmp"	✓	✓
perl	Add optional support/bindings for the Perl language	✓	✓
png	Add support for libpng (PNG images)	✓	✓
python	Add optional support/bindings for the Python language	✓	✓
test	Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)	✓	✓
wxwidgets	Add support for wxWidgets/wxGTK GUI toolkit	✓	✓

Files

openbabel-3.1.1_p2024-fix_examples.patch
openbabel-3.2.0-cflags.patch
openbabel-3.2.0-system_inchi.patch
openbabel-3.2.1-rm_roundtrip.patch
openbabel-python-3.2.cmake

Manifest

Type	File	Size	Versions

Unmatched Entries

Type	File	Size
DIST	openbabel-3.2.0.tar.gz	37815471 bytes
DIST	openbabel-3.2.1.tar.gz	37835590 bytes

sci-chemistry/openbabel (gentoo)