From 5a39e05df4f54d12d85df38515be671743273d7a Mon Sep 17 00:00:00 2001
From: Ricardo Ramirez <ricar.d1997@hotmail.com>
Date: Wed, 17 Jul 2024 04:41:13 -0400
Subject: [PATCH] add lipidorderkit to mdanalysis (#149)

* add lipidorderkit to mdanalysis

* update pip install

* fix call to pytest

* Update mdakits/lipidorderkit/metadata.yaml

fix typo

Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com>

* Update mdakits/lipidorderkit/metadata.yaml

Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com>

* Update mdakits/lipidorderkit/metadata.yaml

Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com>

* Update mdakits/lipidorderkit/metadata.yaml

Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com>

* Update mdakits/lipidorderkit/metadata.yaml

Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com>

* Update mdakits/lipidorderkit/metadata.yaml

Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com>

* Update mdakits/lipidorderkit/metadata.yaml

Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com>

* Update metadata.yaml

Delete comments

* update documentation type

---------

Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com>
---
 mdakits/lipidorderkit/metadata.yaml | 76 +++++++++++++++++++++++++++++
 1 file changed, 76 insertions(+)
 create mode 100644 mdakits/lipidorderkit/metadata.yaml

diff --git a/mdakits/lipidorderkit/metadata.yaml b/mdakits/lipidorderkit/metadata.yaml
new file mode 100644
index 00000000..ca5f0bb3
--- /dev/null
+++ b/mdakits/lipidorderkit/metadata.yaml
@@ -0,0 +1,76 @@
+project_name: lipidorderkit
+
+
+authors:
+  - https://github.com/ricard1997/lipidorderkit/blob/main/AUTHORS.md
+
+
+maintainers:
+  - ricard1997
+
+
+
+description:
+    This MDAKit allow for the calculation of lipid order parameters for all atom molecular dynamics simulations.
+
+
+keywords:
+  - Lipids
+  - Lipids order parameters
+  - SCD
+  - Lipid metrics
+  - Lipid study
+
+
+license: GPL-2.0-or-later
+
+
+project_home: https://github.com/ricard1997/lipidorderkit/
+
+
+documentation_home: https://lipidorderdocs.readthedocs.io/en/latest/
+
+
+documentation_type: API
+
+
+install:
+  - pip install git+https://github.com/ricard1997/lipidorderkit@main
+
+
+src_install:
+  - git clone https://github.com/ricard1997/lipidorderkit.git
+  - cd lipidorderkit && pip install . && cd ..
+
+import_name: lipidorder
+
+
+python_requires: ">=3.10"
+
+
+mdanalysis_requires: ">=2.0.0"
+
+
+run_tests:
+  - pytest --pyargs lipidorder
+
+
+test_dependencies:
+  - mamba install pytest MDAnalysisTests
+
+
+project_org: ricard1997
+
+
+development_status: Production/Stable
+
+
+publications:
+  - https://doi.org/10.3389/fchem.2022.1088058
+
+
+
+community_home:
+
+
+changelog: https://github.com/ricard1997/lipidorderkit/blob/main/CHANGELOG.md