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ReactionMechanismGenerator / RMG-website

A Django-powered website for Reaction Mechanism Generator (RMG)
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Update RMG website environmental file #253

Closed xiaoruiDong closed 8 months ago

xiaoruiDong commented 1 year ago

Be consistent with the latest RMG-Py (May 9 2023) at commit f4d7e9

jonwzheng commented 1 year ago

whoops, I didn't realize that the dev branch was linked to this PR before I pushed those last two commits. Either way, the commits I added are similar (temporary environment.yml updates to avoid conflict with recent updates, in this case to descriptastorus) so maybe we can just lump these together? @xiaoruiDong let me know if you want me to merge this in - I tested this environment on a fresh install of RMG on my local device and it looks like it works.

xiaoruiDong commented 1 year ago

whoops, I didn't realize that the dev branch was linked to this PR before I pushed those last two commits. Either way, the commits I added are similar (temporary environment.yml updates to avoid conflict with recent updates, in this case to descriptastorus) so maybe we can just lump these together? @xiaoruiDong let me know if you want me to merge this in - I tested this environment on a fresh install of RMG on my local device and it looks like it works.

@jonwzheng No worry. Thank you for updating the environment file and updating the setup instruction. The changes seem to work fine on the dev website.

Besides, as Jackson commented, pydas and pydqed were also updated (in RMG-Py's env file, they are required to be >=1.0.3). Do you also want to update them as well? Continuing in this PR or opening a separate PR sounds good to me.

jonwzheng commented 8 months ago

This seems to be working fine on the dev website. Please let me know if we're all set to merge.

xiaoruiDong commented 8 months ago

LGTM