From 5c1f5f715731347539302e62fa53989f03679781 Mon Sep 17 00:00:00 2001 From: Matthew Evans Date: Sun, 28 Mar 2021 21:24:13 +0100 Subject: [PATCH 1/5] Update text with info on the mailing list, meetings and the providers dashboard --- index.md | 46 +++++++++++++++++++++++++++++++--------------- 1 file changed, 31 insertions(+), 15 deletions(-) diff --git a/index.md b/index.md index d75e100..58c5bdc 100644 --- a/index.md +++ b/index.md @@ -1,7 +1,10 @@ # About us The **Open Databases Integration for Materials Design** (OPTIMADE) consortium -aims to make materials databases interoperational by developing a common REST API. +aims to make materials databases interoperable by developing a specification +for a common REST API. + +## Motivation Designing new materials suitable for specific applications is a long, complex, and costly process. Researchers think of new ideas based on @@ -13,21 +16,34 @@ electronic structure codes, it has become possible to perform large sets of calculations automatically. This is the burgeoning area of high-throughput ab initio computation. Such calculations have been used to create large databases containing the calculated properties of -existing and hypothetical materials, many of which have appeared online: - -- [the AFLOW distributed materials property repository](http://aflowlib.org/) -- [the Harvard Clean Energy Project Database](http://molecularspace.org/) -- [the Materials Cloud](http://materialscloud.org/) -- [the Materials Project](http://materialsproject.org/) -- [the NoMaD (Novel Materials Discovery) Repository](http://nomad-repository.eu/) -- [the Open Quantum Materials Database](http://oqmd.org/) -- [the Computational Materials Repository](http://cmr.fysik.dtu.dk/) -- [the Data Catalyst Genome](http://suncat.stanford.edu/) -- [the Materials Platform for Data Science](http://mpds.io/) -- [the Joint Automated Repository for Various Integrated Simulations](https://jarvis.nist.gov) -- ... +existing and hypothetical materials, many of which have appeared online. + +We have released version 1.0 of the OPTIMADE specification, with several +databases already providing implementations. A full list is available on +the [OPTIMADE providers dashboard](https://www.optimade.org/providers-dashboard/). + +## How to cite OPTIMADE Should you wish to cite the OPTIMADE specification, please use the following: - Andersen *et al*, OPTIMADE: an API for exchanging materials data (2021) [arXiv:2103.02068](https://arxiv.org/abs/2103.02068){:target=_blank} -- Andersen *et al*, The OPTIMADE Specification, [10.5281/zenodo.4195050](https://doi.org/10.5281/zenodo.4195050){:target=blank} +- Andersen *et al*, The OPTIMADE Specification, [10.5281/zenodo.4195050](https://doi.org/10.5281/zenodo.4195050){:target=_blank} + +## Get involved + +All of our work is openly available under the +[Materials-Consortia](https://github.com/Materials-Consortia/) organization on +GitHub and welcome all contributions. + +We would love to help you create and register your own OPTIMADE API +implementations and hear your feedback on the specification. +We meet monthly in the "OPTIMADE" room on Jitsi; everyone is welcome to +join the discussion, please feel free to reach out on the mailing list +`dev[at]optimade.org` to register your interest. +The next meeting will take place on +[Friday April 23rd at 15:00 UTC](https://www.worldtimebuddy.com/?pl=1&lid=2643743,5128581,5391959,2950159&h=2643743&date=4/23/2021%7C3&hf=1){:target=_blank}. + +With the support of [CECAM](www.cecam.org){:target=_blank}, we hold annual +workshops to discuss and develop the specification and related ideas. +The 2021 workshop will be held virtually and the announcement will appear +on the CECAM website soon. From 0225187cb2f0b3d98498fd7cb068d387377e6e64 Mon Sep 17 00:00:00 2001 From: Matthew Evans Date: Sun, 28 Mar 2021 21:40:29 +0100 Subject: [PATCH 2/5] Add CODEOWNERS with random assortment of people --- .github/CODEOWNERS | 1 + 1 file changed, 1 insertion(+) create mode 100644 .github/CODEOWNERS diff --git a/.github/CODEOWNERS b/.github/CODEOWNERS new file mode 100644 index 0000000..6ec97ae --- /dev/null +++ b/.github/CODEOWNERS @@ -0,0 +1 @@ +* @rartino @gmrigna @CasperWA @ml-evs @shyam From 789a0f7609c3433a20c6cc1f3ce4a540c53c1674 Mon Sep 17 00:00:00 2001 From: Matthew Evans Date: Mon, 29 Mar 2021 11:46:09 +0100 Subject: [PATCH 3/5] Use include and separate file for next meeting to avoid PR spam --- .github/CODEOWNERS | 1 + _includes/next_meeting.html | 1 + index.md | 9 +++++++-- 3 files changed, 9 insertions(+), 2 deletions(-) create mode 100644 _includes/next_meeting.html diff --git a/.github/CODEOWNERS b/.github/CODEOWNERS index 6ec97ae..99533b0 100644 --- a/.github/CODEOWNERS +++ b/.github/CODEOWNERS @@ -1 +1,2 @@ * @rartino @gmrigna @CasperWA @ml-evs @shyam +_includes/next_meeting.html @ml-evs diff --git a/_includes/next_meeting.html b/_includes/next_meeting.html new file mode 100644 index 0000000..99aa2d0 --- /dev/null +++ b/_includes/next_meeting.html @@ -0,0 +1 @@ +[Friday April 23rd at 15:00 UTC](https://www.timeanddate.com/worldclock/fixedtime.html?iso=20210420T15) diff --git a/index.md b/index.md index 58c5bdc..efd27ce 100644 --- a/index.md +++ b/index.md @@ -1,3 +1,8 @@ +--- +title: OPTIMADE +next_meeting: next_meeting.html +--- + # About us The **Open Databases Integration for Materials Design** (OPTIMADE) consortium @@ -40,8 +45,8 @@ implementations and hear your feedback on the specification. We meet monthly in the "OPTIMADE" room on Jitsi; everyone is welcome to join the discussion, please feel free to reach out on the mailing list `dev[at]optimade.org` to register your interest. -The next meeting will take place on -[Friday April 23rd at 15:00 UTC](https://www.worldtimebuddy.com/?pl=1&lid=2643743,5128581,5391959,2950159&h=2643743&date=4/23/2021%7C3&hf=1){:target=_blank}. +The next meeting will take place on {% include {{ page.next_meeting }} %}. + With the support of [CECAM](www.cecam.org){:target=_blank}, we hold annual workshops to discuss and develop the specification and related ideas. From 04d64dee0f733a081b3bba6dbea182ed95719fca Mon Sep 17 00:00:00 2001 From: Matthew Evans Date: Mon, 29 Mar 2021 11:49:50 +0100 Subject: [PATCH 4/5] Add CECAM link --- index.md | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/index.md b/index.md index efd27ce..24eae10 100644 --- a/index.md +++ b/index.md @@ -48,7 +48,8 @@ join the discussion, please feel free to reach out on the mailing list The next meeting will take place on {% include {{ page.next_meeting }} %}. -With the support of [CECAM](www.cecam.org){:target=_blank}, we hold annual -workshops to discuss and develop the specification and related ideas. +With the support of [CECAM](www.cecam.org){:target=_blank}, we hold +[annual workshops](https://www.cecam.org/search#stq=%22Open%20Databases%20Integration%20for%20Materials%20Design%22&stp=1) +to discuss and develop the specification and related ideas. The 2021 workshop will be held virtually and the announcement will appear on the CECAM website soon. From 8eafed3471c463d44232c295700f32efd2ca8efe Mon Sep 17 00:00:00 2001 From: Matthew Evans Date: Mon, 29 Mar 2021 11:53:41 +0100 Subject: [PATCH 5/5] Missing blank targets --- _includes/next_meeting.html | 3 ++- index.md | 2 +- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/_includes/next_meeting.html b/_includes/next_meeting.html index 99aa2d0..8dd5e95 100644 --- a/_includes/next_meeting.html +++ b/_includes/next_meeting.html @@ -1 +1,2 @@ -[Friday April 23rd at 15:00 UTC](https://www.timeanddate.com/worldclock/fixedtime.html?iso=20210420T15) +[Friday April 23rd at 15:00 +UTC](https://www.timeanddate.com/worldclock/fixedtime.html?iso=20210420T15){:target=_blank} diff --git a/index.md b/index.md index 24eae10..da4a7e2 100644 --- a/index.md +++ b/index.md @@ -49,7 +49,7 @@ The next meeting will take place on {% include {{ page.next_meeting }} %}. With the support of [CECAM](www.cecam.org){:target=_blank}, we hold -[annual workshops](https://www.cecam.org/search#stq=%22Open%20Databases%20Integration%20for%20Materials%20Design%22&stp=1) +[annual workshops](https://www.cecam.org/search#stq=%22Open%20Databases%20Integration%20for%20Materials%20Design%22&stp=1){:target=_blank} to discuss and develop the specification and related ideas. The 2021 workshop will be held virtually and the announcement will appear on the CECAM website soon.