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Diffstat (limited to 'sci-libs/libghemical/metadata.xml')
| -rw-r--r-- | sci-libs/libghemical/metadata.xml | 18 |
1 files changed, 18 insertions, 0 deletions
diff --git a/sci-libs/libghemical/metadata.xml b/sci-libs/libghemical/metadata.xml new file mode 100644 index 000000000000..e94fba7a2bf4 --- /dev/null +++ b/sci-libs/libghemical/metadata.xml @@ -0,0 +1,18 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> +<herd>sci-chemistry</herd> +<longdescription> +Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models +and molecular mechanics models (there is an experimental Tripos 5.2-like force +field for organic molecules). Also a tool for reduced protein models is +included. Geometry optimization, molecular dynamics and a large set of +visualization tools are currently available. +</longdescription> +<use> + <flag name='mopac7'>Use <pkg>sci-chemistry/mopac7</pkg> for semi-empirical + calculations</flag> + <flag name='mpqc'>Use <pkg>sci-chemistry/mpqc</pkg> for quantum-mechanical + calculations</flag> +</use> +</pkgmetadata> |