From 78505132bd301e0161bfeebc96fd2f20b30b5b57 Mon Sep 17 00:00:00 2001
From: Luthaf <luthaf@luthaf.fr>
Date: Mon, 5 Apr 2021 23:47:50 +0200
Subject: [PATCH] Pin chemfiles to a version >=0.9

---
 .github/workflows/gh-ci.yaml     | 6 +++---
 azure-pipelines.yml              | 2 +-
 maintainer/conda/environment.yml | 2 +-
 3 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/gh-ci.yaml b/.github/workflows/gh-ci.yaml
index 954a3852b67..15345fecd10 100644
--- a/.github/workflows/gh-ci.yaml
+++ b/.github/workflows/gh-ci.yaml
@@ -15,7 +15,7 @@ defaults:
 
 env:
   MDA_CONDA_MIN_DEPS: "pip pytest==6.1.2 mmtf-python biopython networkx cython matplotlib-base scipy griddataformats hypothesis gsd codecov"
-  MDA_CONDA_EXTRA_DEPS: "seaborn>=0.7.0 clustalw=2.1 netcdf4 scikit-learn joblib>=0.12 chemfiles tqdm>=4.43.0 tidynamics>=1.0.0 rdkit>=2020.03.1 h5py"
+  MDA_CONDA_EXTRA_DEPS: "seaborn>=0.7.0 clustalw=2.1 netcdf4 scikit-learn joblib>=0.12 chemfiles>=0.9 tqdm>=4.43.0 tidynamics>=1.0.0 rdkit>=2020.03.1 h5py"
   MDA_PIP_MIN_DEPS: 'coveralls coverage<5 pytest-cov pytest-xdist'
   MDA_PIP_EXTRA_DEPS: 'duecredit parmed'
 
@@ -104,7 +104,7 @@ jobs:
         # TODO: mamba causes pip to segfault, switch when fixed
         #mamba-version: "*"
         architecture: x64
-        
+
     - name: install_deps
       env:
         MDA_CONDA_FULL_DEPS: "${{ env.MDA_CONDA_MIN_DEPS }} ${{ env.MDA_CONDA_EXTRA_DEPS }}"
@@ -121,7 +121,7 @@ jobs:
         if [ ${{ matrix.name }} = "asv_check" ]; then
           pip install asv
         fi
-    
+
     - name: check_setup
       run: |
         # Check OS and python setup
diff --git a/azure-pipelines.yml b/azure-pipelines.yml
index 49abbd832fa..b603541683b 100644
--- a/azure-pipelines.yml
+++ b/azure-pipelines.yml
@@ -64,7 +64,7 @@ jobs:
   - script: >-
       python -m pip install
       biopython
-      chemfiles
+      chemfiles>=0.9
       duecredit
       gsd==1.9.3
       joblib
diff --git a/maintainer/conda/environment.yml b/maintainer/conda/environment.yml
index 1c98dfd8441..978b3247ef9 100644
--- a/maintainer/conda/environment.yml
+++ b/maintainer/conda/environment.yml
@@ -3,7 +3,7 @@ channels:
   - defaults
   - conda-forge
 dependencies:
-  - chemfiles
+  - chemfiles>=0.9
   - codecov
   - cython
   - griddataformats