From af99a210c22d7bfd23e082abc78402dbb4fd48ad Mon Sep 17 00:00:00 2001
From: hechth <helge.hecht@recetox.muni.cz>
Date: Tue, 29 Jun 2021 13:53:31 +0200
Subject: [PATCH 1/5] Initial commit

---
 conda/environment-dev.yaml | 21 +++++++++++++++++++++
 1 file changed, 21 insertions(+)
 create mode 100644 conda/environment-dev.yaml

diff --git a/conda/environment-dev.yaml b/conda/environment-dev.yaml
new file mode 100644
index 0000000..7c4244e
--- /dev/null
+++ b/conda/environment-dev.yaml
@@ -0,0 +1,21 @@
+name: recetox-xmsannotator-dev
+channels:
+  - conda-forge
+  - bioconda
+  - defaults
+dependencies:
+  - r-base
+  - boost-cpp
+  - r-biocmanager
+  - r-flashclust
+  - r-plyr
+  - r-wgcna
+  - r-tidyr
+  - r-purrr
+  - r-tibble
+  - r-dplyr
+  - r-rcpp
+  - r-arrow
+  - r-hdf5r
+  - r-data.table
+  - r-testthat

From 921d0205725a0e6d1985c225ef460afad7fd4364 Mon Sep 17 00:00:00 2001
From: hechth <helge.hecht@recetox.muni.cz>
Date: Tue, 29 Jun 2021 14:06:22 +0200
Subject: [PATCH 2/5] Fixed versions and added correct hdf5 package

---
 conda/environment-dev.yaml | 13 +++++++------
 1 file changed, 7 insertions(+), 6 deletions(-)

diff --git a/conda/environment-dev.yaml b/conda/environment-dev.yaml
index 7c4244e..ac40484 100644
--- a/conda/environment-dev.yaml
+++ b/conda/environment-dev.yaml
@@ -4,7 +4,7 @@ channels:
   - bioconda
   - defaults
 dependencies:
-  - r-base
+  - r-base >= 3.5
   - boost-cpp
   - r-biocmanager
   - r-flashclust
@@ -13,9 +13,10 @@ dependencies:
   - r-tidyr
   - r-purrr
   - r-tibble
-  - r-dplyr
-  - r-rcpp
-  - r-arrow
-  - r-hdf5r
+  - r-dplyr >= 1.0.0
+  - r-rcpp >= 0.11.0
+  - r-arrow >= 3.0.0
+  - bioconductor-rhdf5
   - r-data.table
-  - r-testthat
+  - r-testthat >= 3.0.0
+  - r-readr

From 0ef421f6b4a9954993df6d9e5431db715d0bacc0 Mon Sep 17 00:00:00 2001
From: hechth <helge.hecht@recetox.muni.cz>
Date: Tue, 29 Jun 2021 15:55:48 +0200
Subject: [PATCH 3/5] Added build environment

---
 conda/environment-build.yaml | 10 ++++++++++
 1 file changed, 10 insertions(+)
 create mode 100644 conda/environment-build.yaml

diff --git a/conda/environment-build.yaml b/conda/environment-build.yaml
new file mode 100644
index 0000000..64d92ac
--- /dev/null
+++ b/conda/environment-build.yaml
@@ -0,0 +1,10 @@
+name: recetox-xmsannotator-build
+channels:
+  - conda-forge
+  - bioconda
+  - defaults
+dependencies:
+  - anaconda-client
+  - conda-build
+  - conda-verify
+  - r-base
\ No newline at end of file

From 64b1c0557850637d0b21ff8d8c5334af23362b3e Mon Sep 17 00:00:00 2001
From: hechth <helge.hecht@recetox.muni.cz>
Date: Tue, 29 Jun 2021 15:56:01 +0200
Subject: [PATCH 4/5] Added recipe

---
 conda/meta.yaml | 56 +++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 56 insertions(+)
 create mode 100644 conda/meta.yaml

diff --git a/conda/meta.yaml b/conda/meta.yaml
new file mode 100644
index 0000000..e915895
--- /dev/null
+++ b/conda/meta.yaml
@@ -0,0 +1,56 @@
+{% set name = "recetox-xMSannotator" %}
+{% set version = "2.0.1" %}
+{% set github = "https://github.com/recetox/recetox-xMSannotator" %}
+
+package:
+  name: "r-{{ name|lower }}"
+  version: "{{ version }}"
+
+source:
+  path: ../xmsannotator
+
+build:
+  number: 0
+  noarch: generic
+  rpaths:
+    - lib/
+    - lib/R/lib/
+  script: R CMD INSTALL --build .
+
+
+requirements:
+  host:
+    - r-base >=3.5
+    - r-dplyr >=1.0.0
+    - r-flashclust
+    - r-wgcna
+    - r-tidyr
+    - r-purrr
+    - r-tibble
+  run:
+    - r-base >=3.5
+    - r-dplyr
+    - r-flashclust
+    - r-wgcna
+    - r-tidyr
+    - r-purrr
+    - r-tibble
+    - r-data.table
+    - bioconductor-rhdf5
+    - r-rcpp >=0.11.0
+    - r-arrow >=3.0.0
+
+test:
+  commands:
+    - $R CMD check .
+
+about:
+  home: "{{ github }}"
+  license: GPL2.0
+  summary: Annotate peak intensity table with compounds from the compounds database. A heavily modified fork of the original xMSannotator by Karan Uppal.
+
+extra:
+  maintainers:
+    - RECETOX/conda
+  identifiers:
+    - doi:10.1021/acs.analchem.6b01214
\ No newline at end of file

From ae18c598a14cd439a940737dec4ead8138778b83 Mon Sep 17 00:00:00 2001
From: hechth <helge.hecht@recetox.muni.cz>
Date: Wed, 30 Jun 2021 13:57:46 +0200
Subject: [PATCH 5/5] Reverted to very basic testing

---
 conda/meta.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conda/meta.yaml b/conda/meta.yaml
index e915895..463792e 100644
--- a/conda/meta.yaml
+++ b/conda/meta.yaml
@@ -42,7 +42,7 @@ requirements:
 
 test:
   commands:
-    - $R CMD check .
+    - $R -e "library(xmsannotator)"
 
 about:
   home: "{{ github }}"