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pyMBE-dev / pyMBE

pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
https://pymbe-dev.github.io/pyMBE/pyMBE.html
GNU General Public License v3.0
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add admin team to authors list #65

Closed pm-blanco closed 4 months ago

pm-blanco commented 4 months ago

Adds the current admin team to AUTHORS.md to clarify the roles in our software.

pm-blanco commented 4 months ago

@jngrad should we use ESPResSo/4.2.2 for the first release of pyMBE? The CI is not passing anymore due to the warning of the new available version of espresso

jngrad commented 4 months ago

@jngrad should we use ESPResSo/4.2.2 for the first release of pyMBE? The CI is not passing anymore due to the warning of the new available version of espresso

I would recommend updating to 4.2.2 in CI as part of our first release, since it contains relevant bugfixes for Monte Carlo. Although, our CI pipelines should not fail when using older ESPResSo releases, because that would be quite disruptive to open PRs. I have relayed the issue to the EESSI team and they are working out a fix in https://github.com/EESSI/software-layer/pull/589.