From 265bc1c55db534e820878b8755eff839ef259160 Mon Sep 17 00:00:00 2001
From: "Lori A. Burns" <lori.burns@gmail.com>
Date: Sat, 7 Oct 2023 00:48:39 -0400
Subject: [PATCH] Create environment.yaml

---
 docker/environment.yaml | 14 ++++++++++++++
 1 file changed, 14 insertions(+)
 create mode 100644 docker/environment.yaml

diff --git a/docker/environment.yaml b/docker/environment.yaml
new file mode 100644
index 0000000..8726607
--- /dev/null
+++ b/docker/environment.yaml
@@ -0,0 +1,14 @@
+name: p4env
+channels:
+  - conda-forge
+  - nodefaults
+dependencies:
+  - python=3.8     # if edit, also edit https://github.com/psi4/psi4meta/blob/master/.github/workflows/Docker.yml#L126
+  - psi4
+  - conda-forge/label/libint_dev::libint
+  
+  - pytest-xdist
+  - dftd3-python
+  - dftd4-python
+  - toml
+  - gcp-correction