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non port: science/xtb/distinfo

Number of commits found: 6

Tuesday, 15 Nov 2022
03:06 Yuri Victorovich (yuri) search for other commits by this committer
science/xtb: Update 6.4.1 -> 6.5.1; Add tests
commit hash: c198e10673e58ebd1a13259348591593f872b72b commit hash: c198e10673e58ebd1a13259348591593f872b72b commit hash: c198e10673e58ebd1a13259348591593f872b72b commit hash: c198e10673e58ebd1a13259348591593f872b72b c198e10
Saturday, 27 Nov 2021
17:49 Johannes M Dieterich (jmd) search for other commits by this committer
science/xtb: update to 6.4.1
commit hash: 9961f3683d85b8e59e3a41b0f3a522ec07df8711 commit hash: 9961f3683d85b8e59e3a41b0f3a522ec07df8711 commit hash: 9961f3683d85b8e59e3a41b0f3a522ec07df8711 commit hash: 9961f3683d85b8e59e3a41b0f3a522ec07df8711 9961f36
Sunday, 20 Sep 2020
21:19 jmd search for other commits by this committer
science/xtb: update to 6.3.3

Bugfixes in models and compiler support.

Changelog: https://github.com/grimme-lab/xtb/releases/tag/v6.3.3
Original commitRevision:549396 
Saturday, 4 Jul 2020
00:13 jmd search for other commits by this committer
science/xtb: upgrade to 6.3.2

Maintenance and bugfix release.

Release notes: https://github.com/grimme-lab/xtb/releases/tag/v6.3.2
Original commitRevision:541157 
Monday, 15 Jun 2020
23:23 jmd search for other commits by this committer
science/xtb: update to release 6.3.1

various correctness bugfixes, especially for GFN-FF
Original commitRevision:539300 
Thursday, 28 May 2020
22:05 jmd search for other commits by this committer
new port: science/xtb

xtb is a semiempirical extended tight-binding program package with
application in computational chemistry and matrials science.

Port is configured to use OpenBLAS to facilitate performance.

WWW: https://github.com/grimme-lab/xtb
Original commitRevision:536821 

Number of commits found: 6