LABIOQUIM/visualdynamics: v2.0.0

2.0.0 (2023-06-10) ⚠ BREAKING CHANGES

• just to see if it'll work
• TO V2 WE GO
• fix pre-release version
• Migrating from dynamics to simulations as is the worldwide adopted term.

This should be the first pre-release of v2

:memo: Documentation

• client: added storybook and Button stories (787bfa3)

:sparkles: Features

• ability to start APO dynamic (ba2a914)
• add download archive button (6603ed7)
• added acpype dynamic, dynamic cancellation (6cb44ac)
• added acpype dynamic, improved visuals (56152f2)
• added celery to run dynamics (2695f41)
• added file downloads for dynamics ran on server (40668fa)
• client: a bunch more things (d9c4efc)
• client: add progressbar on top, and fix loading state on page transition (55b77d3)
• client: added ability to reset password (c780d68)
• client: added dynamic breadcrumb, finished running page, started translations (6528324)
• client: added prodrg page, some fixes to failing api calls (5246a43)
• client: admin page to view all running dynamics (eeddab9)
• client: admin request approval/reject page (8db28aa)
• client: authentication done (d3a9d1b)
• client: fixes and about page with some initial content (aa4f646)
• client: improved page transitions, translations and components (cf91a86)
• client: improvements to sidebar, animations and loading states (ef01b75)
• client: loading state on auth form, added some content to home page (f2a7122)
• client: re-enabled PRODRG dynamic execution (add8e05)
• client: redone layout (4f55ca7)
• client: signup page (5e0fe33)
• client: started redoing layout (c96855a)
• client: use framer-motion for animations (60657be)
• client: you can now generate and start a APO dynamic (be9cb52)
• containerization in progress (cb720da)
• dynamics -> simulations (#13) (a74996e)
• mailer (accd472)
• mail: send mail on admin approval/rejection (539b81e)
• md_pr update (02afc10)
• migrate PRODRG to linux commands (0fb1f45)
• move to next-translate instead of next-i18next (e1dcbf3)
• only process molecules with 5000 or less atoms (234e596)
• redirect user from vd1 to reset password screen on first login (4e3d463)
• server: added route to get user dynamic run status (ee3bbac)
• server: big changes on APO dynamic generation and dynamic execution (6e4f8f9)
• server: improved the way running data is returne (15b5307)
• server: run route now just calls celery process (2306af0)
• updated posts view (73c3033)

:bug: Fixes

• abort task route, improvements on UI and more (1165112)
• acpype | prodrg: usage of box_distance and ignore (97cb69f)
• add _npt.gro to results download (8be8f77)
• add SSL to server (c5c098c)
• add title to work icon on maintainer card (8fa963d)
• change redis default port (1478e2c)
• changed generate routes, added update mdpr route (4d7b180)
• client: 404 page title (2dfe246)
• client: add info about signup (588ad4f)
• client: add spacing in about sections (7a97449)
• client: admin cron job fix (e876cf5)
• client: admin sign up request list item behaviour on small screens (b46f09c)
• client: backend url from env (a84a1e8)
• client: behaviour and style merging (9d8c732)
• client: behaviour on mobile and desktop (9523855)
• client: blog page not rendering tab title (395e3ad)
• client: cleanup on unused imports on admin approval/reject page (62c9124)
• client: color scheme persistence (465ac29)
• client: custom 404 page, prodrg force fields (c7ed6b1)
• client: disable abort button when the request is running (fb9271e)
• client: disable prisma log query (1cfa7c5)
• client: don't use node as edge backend (7bbb1a6)
• client: drop multi color theme in favor of light and dark theme (f5bdc6a)
• client: duplicated header links (2afffcb)
• client: dynamic card sṕinner color (7091d5a)
• client: fix page viewport on mobile (2788fbb)
• client: font family (3912c6d)
• client: icon size on buttons (c09080d)
• client: improve blog managing (10de12d)
• client: improve colors (d121046)
• client: improved select/input border color, fixed future form translation keys (fee3c74)
• client: improvements to breadcrumb (0fccc0a)
• client: improvements to dynamic related pages (1618f8f)
• client: improvements to layout (fd4a9b9)
• client: improvements to mobile UI (2d2b316)
• client: lazy load some default components (4de545a)
• client: min height on mobile, link to admin page (78f63cf)
• client: mobile nav lock body scroll (3b4ed6f)
• client: move some pages away from getServerSideProps (9b03c48)
• client: reduced usage of useState in forms, built static blogs for all languages (9470688)
• client: screen scroll, signin error messages (fbe6b3f)
• client: search bar wrong color on dark mode (5bfcca8)
• client: send mail url (e413957)
• client: sign in form loading state not showing up (fd377ef)
• client: sign up form loading state not showing up (f9b3e4b)
• client: smooth transition on dynamic form submit button (4899a38)
• client: tailwindcss auto classname sorter (bdda700)
• client: type errors and title positioning (53c342f)
• client: update main (8f07e77)
• correct and re-enabled gray color (ef07c5c)
• cron: don't send email when no inactive users (c0ca8b7)
• disable preload data on running page (089f96b)
• disable preload of my-dynamics (575dd88)
• dockerization almost done (2a4c2ba)
• get initial theme synchronously (0085537)
• i18n namespace loading on dynamic forms (8933cc2)
• improved about page (6fb771b)
• improvements (f885bc4)
• instruct users to contact admin for old simulations (b83f6ee)
• lockfile, add .env.example (4c9807d)
• migrate from nextjs-progressbar to next-progress (62baae0)
• minimum python version (a3ae014)
• missing translations (4b8e2b3)
• mobile navbar positioning, initial theme load (e0daf89)
• moving thread number to config file (5af7e96)
• navbar scroll, email sending (b19a616)
• remove unneeded component (12398cc)
• rename admin requests cron job (7394fe9)
• revert tailwind dark mode enabler (1561325)
• running dynamic page should now work (21734ce)
• send mail on dynamic status changed (922b12a)
• server start command (ac38ebc)
• server: command running pid saving on wrong place (6e19b0a)
• server: download command list for running and queued dynamics (3a84a83)
• server: download logic (95d02d0)
• server: fix nthreads to 10 (dc4b249)
• server: fixes for admin page to view all running dynamics (1f106a0)
• server: min python 3.9 (fcf83f6)
• server: not returning command list when requestes (1c794a2)
• server: run server on networ IP (bcbc78d)
• server: send last log lines reversed (1fb1965)
• server: update default celety services (a9cda03)
• show loading state on route changing (0f6631d)
• translations (5021b51)
• trigger release (36bd678)
• trigger release (9018750)
• update db schema (d2c21cc)
• update translations and images (22f02a1)
• use full baseurl if not development (d5be1d6)
• vercel build (ea6112c)
• vercel build (641e80b)
• vercel build (687af35)
• vercel build (542e9c6)

:broom: Chore

• add first post (66f6ec8)
• add institutions logo (fc5bb32)
• add logo for email (dd0ee45)
• client: add log to mailer (16f2538)
• client: restructure components (323e6be)
• deploy scheme ready (e6a42cd)
• fix pm2 ecosystem file (d73014a)
• fixes for production (da24e51)
• flower.service -> celery-flower.service, docs on setting up celery (5eafc63)
• for tests (2ea6a66)
• moving deploy to docker (4058b33)
• pm2 ecosystem file (bed728e)
• pm2 ecosystem file (b33ceb4)
• pm2 ecosystem file (0e6da7e)
• pm2 ecosystem file (0699e48)
• pm2 ecosystem file (7dfbac3)
• pm2 ecosystem file (00c0645)
• pm2 ecosystem file (a05ecb9)
• pm2 ecosystem file (66130bb)
• pm2 ecosystem file (e075dde)
• pm2 ecosystem file (e714ff9)
• pm2 ecosystem file (f5aba4a)
• pm2 ecosystem file (a86f1a5)
• pm2 ecosystem file (aecca37)
• pm2 ecosystem file (e28b76e)
• pm2 ecosystem file (976fd15)
• release: 1.0.0 [skip ci] (a7dfae0), closes #13 #13 #13 #13
• release: 1.0.0-next.1 [skip ci] (b7b9033), closes #13 #13
• release: 1.0.0-next.1 [skip ci] (37a4092), closes #13
• release: 1.0.0-next.2 [skip ci] (fb073b1)
• release: 1.0.0-next.2 [skip ci] (9e2b0dd)
• remove unneeded console.log (a9e3264)
• remove unneeded file (f5ccd7d)
• rename acpype test pdb (b26c593)
• repo: move to yarn (b5280e2)
• repo: update pnpm-lock (db547f6)
• reworking directories (eb8066e)
• tests: add testfiles (982e2d5)
• trigger deploy (f749850)
• update ecosystem (5311fda)
• update prisma version (f55bd9c)
• update readme (fd58083)
• update readme (c7562cd)
• update translations (f0d24e4)
• vscode: always prefer non-relative imports (7814ca4)

:repeat: CI

• add missing deps (2b3287f)
• add missing dev dependency (19745b0)
• downgrade semantic-release (1c089fc)
• fix package manager (234a8cc)
• fix pnpm-lock location (689bcf0)
• fix pre-release version (4bf8e85)
• fixing up semrel (f983a3a)
• go back to pat (5f3f97f)
• i'm losing my mind on this one (3fa448e)
• trigger release (0b3c5c0)
• trigger release (72f37d6)
• trigger release (1ffc1da)
• trigger release (6c1e61b)
• trying again (d5d41bd)
• trying again (7772c26)
• trying to fix pnpm (7bcbd68)
• trying to fix rel ver again (73766f1)
• trying to fix rel version (55a7339)
• trying to fix rel version (b8bf891)
• trying to fix rel version (aff6c1a)
• trying to fix rel version (ad79b07)
• trying with PAT (f1dc773)
• use github token from actions (f591094)