New release?

[acmnpv]

Hej @ all!

Just a food for thought, should we release a new version of Q6 with the few bug fixes we had around May or June this year?
Should just be a bump to the minor version number, to make sure the bug fixes are used by people?

Happy for your feedback!

[mpurg]

Kudos for all the recent activity! I suggest changing the silly "compilation version" to a patch version as described here: https://semver.org/ 2018-02-05 15:42 GMT+01:00 Paul Bauer <notifications@github.com>:

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Hej @ all! Just a food for thought, should we release a new version of Q6 with the few bug fixes we had around May or June this year? Should just be a bump to the minor version number, to make sure the bug fixes are used by people? Happy for your feedback! — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#13>, or mute the thread <https://github.com/notifications/unsubscribe-auth/ACO_ZIQ5SmovVqV7kA8xvxXoJv3j0g_yks5tRxNGgaJpZM4R5i0Y> .

[acmnpv]

I'm in support of changing this.
Miha, can you supply the patch?

[acmnpv]

Notes from quick meeting with Miha on what to do for the 6.1 release:

• Need to fix qprep charge groups ambivalent indexing shows no error #5 to cause an error in qprep
• The fix for Qdyn6 stuck when using polarisation restraints #10 should be reviewed and merged if people decide it is needed
• The semantic version scheme Miha proposed should be adopted
• Add ability to set solvent w/o solvating
• Test to see how difficult it will be to add different types of solute to qprep
• Check few more possible bugs discussed with Pierre
• Get minimizer working
• Discuss changing Coulomb constant to the experimental value of 332.06371 kcal/mol Å e^-2

[kamerlin]

Thanks Paul! From: Paul Bauer <notifications@github.com> Reply-To: qusers/Q6 <reply@reply.github.com> Date: Thursday, February 22, 2018 at 10:43 AM To: qusers/Q6 <Q6@noreply.github.com> Cc: Subscribed <subscribed@noreply.github.com> Subject: Re: [qusers/Q6] New release? (#13) Notes from quick meeting with Miha on what to do for the 6.1 release: * Need to fix #5<#5> to cause an error in qprep * The fix for #10<#10> should be reviewed and merged if people decide it is needed * The semantic version scheme Miha proposed should be adopted * Add ability to set solvent w/o solvating * Test to see how difficult it will be to add different types of solute to qprep * Check few more possible bugs discussed with Pierre * Get minimizer working — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub<#13 (comment)>, or mute the thread<https://github.com/notifications/unsubscribe-auth/AGRJR21E_g8r82N3DsRwNPY5G_RKZiAdks5tXTa1gaJpZM4R5i0Y>.