| <?xml version="1.0" encoding="UTF-8"?> |
| <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> |
| <pkgmetadata> |
| <maintainer type="project"> |
| <email>sci-chemistry@gentoo.org</email> |
| <name>Gentoo Chemistry Project</name> |
| </maintainer> |
| <use> |
| <flag name="fetk">Include support for FeTK</flag> |
| <flag name="fast">APBS fast mode (experimental)</flag> |
| <flag name="iapbs">C/C++/Fortran interface</flag> |
| <flag name="tools">Install optional tools</flag> |
| </use> |
| <longdescription> |
| APBS is a software package for modeling biomolecular solvation through solution |
| of the Poisson-Boltzmann equation (PBE), one of the most popular continuum |
| models for describing electrostatic interactions between molecular solutes in |
| salty, aqueous media. Continuum electrostatics plays an important role in |
| several areas of biomolecular simulation |
| </longdescription> |
| <upstream> |
| <remote-id type="github">Electrostatics/apbs-pdb2pqr</remote-id> |
| <remote-id type="sourceforge">apbs</remote-id> |
| </upstream> |
| </pkgmetadata> |
