From 762609282e9d47297511ab9f225f633e38408ae0 Mon Sep 17 00:00:00 2001
From: tlfobe <lenny@DESKTOP-HTCAJ46>
Date: Wed, 28 Feb 2024 14:36:46 -0700
Subject: [PATCH] created a test_env.yml file with `mamba env export
 --from-history`, which only puts the installs that were included via `mamba
 install ...`, rather than all packages installed

---
 .github/workflows/python-package.yml |  2 +-
 test_env.yml                         | 29 ++++++++++++++++++++++++++++
 2 files changed, 30 insertions(+), 1 deletion(-)
 create mode 100644 test_env.yml

diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml
index 95a5d1d6..74eab611 100644
--- a/.github/workflows/python-package.yml
+++ b/.github/workflows/python-package.yml
@@ -27,7 +27,7 @@ jobs:
     - name: Install conda environment
       uses: mamba-org/setup-micromamba@v1
       with:
-        environment-file: environment.yml
+        environment-file: test_env.yml
         create-args: >-
           python=${{ matrix.python-version }}
     - name: Install dependencies
diff --git a/test_env.yml b/test_env.yml
new file mode 100644
index 00000000..3c8491d7
--- /dev/null
+++ b/test_env.yml
@@ -0,0 +1,29 @@
+name: terphenyl
+channels:
+  - conda-forge
+  - omnia
+dependencies:
+  - python
+  - pip
+  - pyyaml
+  - mbuild=0.14.2
+  - mdtraj
+  - numpy
+  - matplotlib
+  - scikit-learn
+  - tqdm
+  - mdanalysis
+  - signac
+  - signac-flow
+  - panedr
+  - pandas
+  - seaborn
+  - openff-toolkit
+  - mbuild ==0.14
+  - rdkit
+  - ca-certificates
+  - certifi
+  - openssl
+  - pytest
+  - openbabel
+prefix: /home/lenny/miniforge3/envs/terphenyl