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Package Information

Description:

A powerful quantum chemistry package

Homepage:

https://www.msg.chem.iastate.edu/GAMESS/GAMESS.html

License:

gamess

Versions

Metadata

Maintainers

• Alexey Shvetsov (alexxy@gentoo.org) - Type: person
• Gentoo Chemistry Project (sci-chemistry@gentoo.org) - Type: project

<pkgmetadata>
	<maintainer type="person">
		<email>alexxy@gentoo.org</email>
		<name>Alexey Shvetsov</name>
	</maintainer>
	<maintainer type="project">
		<email>sci-chemistry@gentoo.org</email>
		<name>Gentoo Chemistry Project</name>
	</maintainer>
	<use>
		<flag name="msucc">Build Michigan State University CCT3 and CCSD3A methods.
			This will increase build time and memory requirements by ~10 times</flag>
		<flag name="neo">Enable NEO for nuclear basis support</flag>
		<flag name="pax-kernel">Make this package work on PAX kernels</flag>
		<flag name="qmmm-tinker">Enable tinker qmmm code</flag>
		<flag name="vb2000">Enable Valence Bond method using VB2000 code</flag>
	</use>
</pkgmetadata>

Lint Warnings

• [Warning] Ebuild 20180930.3-r1 uses IUSE flag 'mpi' which is not documented in metadata.xml. Add the flag to metadata.xml <use> section.
• [Warning] Ebuild 20180930.3-r1 uses IUSE flag 'openmp' which is not documented in metadata.xml. Add the flag to metadata.xml <use> section.
• [Warning] Missing md5-cache for version 20180930.3-r1. Run 'ebuild <ebuild_file> manifest' or 'egencache' to generate it.

USE Flags

Files

• gamess-20180930.3.gentoo.patch
• gamess-qmmm-tinker-fix-idate.patch

Manifest