From 3e8e1618199dbb920a97150c1731392cc99b2a1f Mon Sep 17 00:00:00 2001
From: Matt Johnson <mjohnson541@gmail.com>
Date: Sun, 7 Jul 2024 19:16:09 -0700
Subject: [PATCH] add conda build filles

---
 .conda/build.sh  |  2 ++
 .conda/meta.yaml | 42 ++++++++++++++++++++++++++++++++++++++++++
 2 files changed, 44 insertions(+)
 create mode 100644 .conda/build.sh
 create mode 100644 .conda/meta.yaml

diff --git a/.conda/build.sh b/.conda/build.sh
new file mode 100644
index 0000000..1d85f53
--- /dev/null
+++ b/.conda/build.sh
@@ -0,0 +1,2 @@
+juliaup update
+python -c "from pyrms import rms"
\ No newline at end of file
diff --git a/.conda/meta.yaml b/.conda/meta.yaml
new file mode 100644
index 0000000..584ddb3
--- /dev/null
+++ b/.conda/meta.yaml
@@ -0,0 +1,42 @@
+#for conda build
+package:
+  name: pyrms
+  version: {{ environ.get('GIT_DESCRIBE_TAG', '') }}
+
+source:
+  path: ../
+
+build:
+  number: {{ environ.get('GIT_DESCRIBE_NUMBER', 0) }}
+  script_env:
+    - JULIAUP_DEPOT_PATH=$PREFIX/share/juliaup
+    - JULIA_DEPOT_PATH=$PREFIX/share/julia
+    - JULIA_CONDAPKG_ENV=$PREFIX
+
+requirements:
+  host:
+    - pyjuliacall
+    - rmgmolecule >=0.3
+    - rdkit >=2015.09.2
+    - setuptools
+    - juliaup
+    - numpy
+  run:
+    - pydot >=2.0
+    - yaml
+    - pyjuliacall
+    - rmgmolecule >=0.3
+    - rdkit >=2015.09.2
+    - juliaup
+    - jupyter
+    - matplotlib 
+    - nose
+test:
+  imports:
+    - pyrms
+  commands:
+    - nosetests pyrms/rmsTest.py # [unix]
+about:
+  home: http://github.com/ReactionMechanismGenerator/pyrms
+  license: MIT
+  summary: "A program for simulating and analyzing kinetic models of chemical reaction mechanisms."