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24.0 2.0 4.0 159.01 MB

Web Platform made with Python and NextJS for automating GROMACS simulations

Home Page: https://visualdynamics.fiocruz.br

License: MIT License

Python 18.90% CSS 0.30% JavaScript 0.90% TypeScript 76.20% Dockerfile 0.51% Handlebars 3.19%
grace gromacs md molecular-dynamics molecular-dynamics-simulation molecular-dynamics-automation

visualdynamics's Issues

The automated release is failing 🚨

🚨 The automated release from the next branch failed. 🚨

I recommend you give this issue a high priority, so other packages depending on you can benefit from your bug fixes and new features again.

You can find below the list of errors reported by semantic-release. Each one of them has to be resolved in order to automatically publish your package. I’m sure you can fix this 💪.

Errors are usually caused by a misconfiguration or an authentication problem. With each error reported below you will find explanation and guidance to help you to resolve it.

Once all the errors are resolved, semantic-release will release your package the next time you push a commit to the next branch. You can also manually restart the failed CI job that runs semantic-release.

If you are not sure how to resolve this, here are some links that can help you:

If those don’t help, or if this issue is reporting something you think isn’t right, you can always ask the humans behind semantic-release.


The release 1.0.0 on branch next cannot be published as it is out of range.

Based on the releases published on other branches, only versions within the range >=1.5.0 can be published from branch next.

The following commits are responsible for the invalid release:

  • ci: trying to fix rel version (ad79b07)
  • chore(release): 1.0.0-next.2 [skip ci] (9e2b0dd)
  • ci: fix pnpm-lock location (689bcf0)
  • chore(release): 1.0.0-next.1 [skip ci] (37a4092)
  • ci: downgrade semantic-release (1c089fc)
  • ci: i'm losing my mind on this one (3fa448e)
  • ci: trigger release (0b3c5c0)
  • ci: trigger release (72f37d6)
  • ci: trigger release (1ffc1da)
  • ci: trigger release (6c1e61b)
  • ci: add missing deps (2b3287f)
  • ci: go back to pat (5f3f97f)
  • ci: use github token from actions (f591094)
  • ci: fix pre-release version (4bf8e85)
  • ci: add missing dev dependency (19745b0)
  • ci: trying with PAT (f1dc773)
  • ci: trying again (d5d41bd)
  • ci: trying again (7772c26)
  • ci: trying to fix pnpm (7bcbd68)
  • ci: fix package manager (234a8cc)
  • feat: dynamics -> simulations (#13) (a74996e)
  • fix: running dynamic page should now work (21734ce)
  • fix: disable preload data on running page (089f96b)
  • fix: disable preload of my-dynamics (575dd88)
  • chore: update ecosystem (5311fda)
  • fix: use full baseurl if not development (d5be1d6)
  • fix: server start command (ac38ebc)
  • fix: add SSL to server (c5c098c)
  • fix: add _npt.gro to results download (8be8f77)
  • chore: add first post (66f6ec8)
  • chore: update translations (f0d24e4)
  • chore: remove unneeded file (f5ccd7d)
  • fix: instruct users to contact admin for old simulations (b83f6ee)
  • fix: missing translations (4b8e2b3)
  • feat: add download archive button (6603ed7)
  • fix: update translations and images (22f02a1)
  • fix: update db schema (d2c21cc)
  • fix: navbar scroll, email sending (b19a616)
  • chore: remove unneeded console.log (a9e3264)
  • fix: mobile navbar positioning, initial theme load (e0daf89)
  • chore: update prisma version (f55bd9c)
  • chore: reworking directories (eb8066e)
  • fix: get initial theme synchronously (0085537)
  • revert: going back to pm2 for client deploy (1016d6f)
  • fix: moving thread number to config file (5af7e96)
  • chore: update readme (c7562cd)
  • fix(acpype | prodrg): usage of box_distance and ignore (97cb69f)
  • fix: change redis default port (1478e2c)
  • chore: deploy scheme ready (e6a42cd)
  • fix: dockerization almost done (2a4c2ba)
  • feat: containerization in progress (cb720da)
  • chore: moving deploy to docker (4058b33)
  • fix: minimum python version (a3ae014)
  • fix(client): smooth transition on dynamic form submit button (4899a38)
  • feat(client): improvements to sidebar, animations and loading states (ef01b75)
  • fix(client): behaviour and style merging (9d8c732)
  • fix(server): not returning command list when requestes (1c794a2)
  • feat(client): use framer-motion for animations (60657be)
  • chore(repo): move to yarn (b5280e2)
  • chore: add institutions logo (fc5bb32)
  • chore: rename acpype test pdb (b26c593)
  • feat: only process molecules with 5000 or less atoms (234e596)
  • fix: i18n namespace loading on dynamic forms (8933cc2)
  • feat: move to next-translate instead of next-i18next (e1dcbf3)
  • feat: updated posts view (73c3033)
  • fix: show loading state on route changing (0f6631d)
  • fix: migrate from nextjs-progressbar to next-progress (62baae0)
  • feat: redirect user from vd1 to reset password screen on first login (4e3d463)
  • fix(client): fix page viewport on mobile (2788fbb)
  • fix(client): blog page not rendering tab title (395e3ad)
  • fix(client): sign up form loading state not showing up (f9b3e4b)
  • fix(client): sign in form loading state not showing up (fd377ef)
  • feat(client): added ability to reset password (c780d68)
  • fix: revert tailwind dark mode enabler (1561325)
  • fix: correct and re-enabled gray color (ef07c5c)
  • docs(client): added storybook and Button stories (787bfa3)
  • chore: fixes for production (da24e51)
  • chore(client): add log to mailer (16f2538)
  • fix(server): download logic (95d02d0)
  • fix(client): disable prisma log query (1cfa7c5)
  • chore: fix pm2 ecosystem file (d73014a)
  • chore: pm2 ecosystem file (bed728e)
  • chore: pm2 ecosystem file (b33ceb4)
  • chore: pm2 ecosystem file (0e6da7e)
  • chore: for tests (2ea6a66)
  • chore: pm2 ecosystem file (0699e48)
  • chore: pm2 ecosystem file (7dfbac3)
  • chore: pm2 ecosystem file (00c0645)
  • chore: pm2 ecosystem file (a05ecb9)
  • chore: pm2 ecosystem file (66130bb)
  • chore: pm2 ecosystem file (e075dde)
  • chore: pm2 ecosystem file (e714ff9)
  • chore: pm2 ecosystem file (f5aba4a)
  • chore: pm2 ecosystem file (a86f1a5)
  • chore: pm2 ecosystem file (aecca37)
  • chore: pm2 ecosystem file (e28b76e)
  • chore: pm2 ecosystem file (976fd15)
  • fix(server): fix nthreads to 10 (dc4b249)
  • fix(server): min python 3.9 (fcf83f6)
  • fix(client): improve blog managing (10de12d)
  • fix(client): reduced usage of useState in forms, built static blogs for all languages (9470688)
  • fix(client): admin cron job fix (e876cf5)
  • fix(client): send mail url (e413957)
  • fix(client): admin sign up request list item behaviour on small screens (b46f09c)
  • fix(server): run server on networ IP (bcbc78d)
  • feat(client): re-enabled PRODRG dynamic execution (add8e05)
  • feat: migrate PRODRG to linux commands (0fb1f45)
  • feat(mail): send mail on admin approval/rejection (539b81e)
  • fix: send mail on dynamic status changed (922b12a)
  • fix(cron): don't send email when no inactive users (c0ca8b7)
  • fix: rename admin requests cron job (7394fe9)
  • feat: mailer (accd472)
  • chore: add logo for email (dd0ee45)
  • feat: md_pr update (02afc10)
  • chore(client): restructure components (323e6be)
  • fix: changed generate routes, added update mdpr route (4d7b180)
  • fix(client): type errors and title positioning (53c342f)
  • fix(client): dynamic card sṕinner color (7091d5a)
  • fix(server): command running pid saving on wrong place (6e19b0a)
  • fix(client): disable abort button when the request is running (fb9271e)
  • fix: abort task route, improvements on UI and more (1165112)
  • fix(server): update default celety services (a9cda03)
  • fix(client): improvements to layout (fd4a9b9)
  • chore(tests): add testfiles (982e2d5)
  • fix(server): fixes for admin page to view all running dynamics (1f106a0)
  • feat(client): admin page to view all running dynamics (eeddab9)
  • fix(client): cleanup on unused imports on admin approval/reject page (62c9124)
  • feat(client): admin request approval/reject page (8db28aa)
  • fix(client): add info about signup (588ad4f)
  • fix(client): screen scroll, signin error messages (fbe6b3f)
  • feat(client): signup page (5e0fe33)
  • fix(client): move some pages away from getServerSideProps (9b03c48)
  • fix(client): min height on mobile, link to admin page (78f63cf)
  • fix(client): tailwindcss auto classname sorter (bdda700)
  • fix(client): behaviour on mobile and desktop (9523855)
  • fix(client): improvements to mobile UI (2d2b316)
  • chore(vscode): always prefer non-relative imports (7814ca4)
  • fix(server): send last log lines reversed (1fb1965)
  • fix(client): improvements to dynamic related pages (1618f8f)
  • fix(client): update main (8f07e77)
  • fix(client): improve colors (d121046)
  • fix(client): font family (3912c6d)
  • fix(client): lazy load some default components (4de545a)
  • fix(client): search bar wrong color on dark mode (5bfcca8)
  • fix(client): drop multi color theme in favor of light and dark theme (f5bdc6a)
  • fix: remove unneeded component (12398cc)
  • feat(client): redone layout (4f55ca7)
  • fix(client): icon size on buttons (c09080d)
  • fix(client): mobile nav lock body scroll (3b4ed6f)
  • fix(client): add spacing in about sections (7a97449)
  • fix: add title to work icon on maintainer card (8fa963d)
  • fix: improved about page (6fb771b)
  • fix: lockfile, add .env.example (4c9807d)
  • feat(client): add progressbar on top, and fix loading state on page transition (55b77d3)
  • fix(client): color scheme persistence (465ac29)
  • feat(client): loading state on auth form, added some content to home page (f2a7122)
  • fix: translations (5021b51)
  • chore: trigger deploy (f749850)
  • feat(client): fixes and about page with some initial content (aa4f646)
  • fix(client): backend url from env (a84a1e8)
  • fix(client): 404 page title (2dfe246)
  • fix(client): custom 404 page, prodrg force fields (c7ed6b1)
  • feat(client): added prodrg page, some fixes to failing api calls (5246a43)
  • fix(client): don't use node as edge backend (7bbb1a6)
  • fix(client): duplicated header links (2afffcb)
  • fix: vercel build (ea6112c)
  • fix: vercel build (641e80b)
  • fix: vercel build (687af35)
  • fix: vercel build (542e9c6)
  • fix: improvements (f885bc4)
  • feat(client): authentication done (d3a9d1b)
  • fix(client): improvements to breadcrumb (0fccc0a)
  • feat(client): improved page transitions, translations and components (cf91a86)
  • fix(server): download command list for running and queued dynamics (3a84a83)
  • feat: added file downloads for dynamics ran on server (40668fa)
  • feat: added acpype dynamic, improved visuals (56152f2)
  • feat: added acpype dynamic, dynamic cancellation (6cb44ac)
  • feat(server): improved the way running data is returne (15b5307)
  • feat(client): added dynamic breadcrumb, finished running page, started translations (6528324)
  • chore(repo): update pnpm-lock (db547f6)
  • feat(client): you can now generate and start a APO dynamic (be9cb52)
  • feat(server): big changes on APO dynamic generation and dynamic execution (6e4f8f9)
  • feat(server): run route now just calls celery process (2306af0)
  • chore: flower.service -> celery-flower.service, docs on setting up celery (5eafc63)
  • feat: added celery to run dynamics (2695f41)
  • feat(server): added route to get user dynamic run status (ee3bbac)
  • feat: ability to start APO dynamic (ba2a914)
  • fix(client): improved select/input border color, fixed future form translation keys (fee3c74)
  • feat(client): a bunch more things (d9c4efc)
  • feat(client): started redoing layout (c96855a)
  • feat(apps): added base code for client and server (c79c56f)

Those commits should be moved to a valid branch with git merge or git cherry-pick and removed from branch next with git revert or git reset.

A valid branch could be main or next.

See the workflow configuration documentation for more details.


Good luck with your project ✨

Your semantic-release bot 📦🚀

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