Pinning h5py in prod envs to avoid runtime exception

I was getting: ImportError: /home/david/.conda/envs/qcarchive-worker-openff-psi4-test/lib/python3.9/site-packages/h5py/defs.cpython-39-x86_64-linux-gnu.so: undefined symbol: H5Pset_fapl_ros3 Used suggested workaround: conda-forge/h5py-feedstock#103 (comment)
openforcefield · Oct 19, 2022 · 43c674b · 43c674b
1 parent 3aafb52
commit 43c674b
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diff --git a/devtools/prod-envs/qcarchive-user-submit.yaml b/devtools/prod-envs/qcarchive-user-submit.yaml
@@ -9,6 +9,7 @@ dependencies:
   - python =3.9
   - pip
   - qcportal
+  - h5py =3.1.0     # pinning because latest (3.3.0) build appears broken
   - openff-qcsubmit
   - openff-toolkit 
   - openeye-toolkits

diff --git a/devtools/prod-envs/qcarchive-worker-openff-ani.yaml b/devtools/prod-envs/qcarchive-worker-openff-ani.yaml
@@ -7,6 +7,7 @@ dependencies:
   - python =3.9
   - pip
   - qcfractal =0.15.8.1
+  - h5py =3.1.0     # pinning because latest (3.3.0) build appears broken
   - qcengine =0.24.1
   - qcelemental =0.25.0
 

diff --git a/devtools/prod-envs/qcarchive-worker-openff-openmm.yaml b/devtools/prod-envs/qcarchive-worker-openff-openmm.yaml
@@ -5,6 +5,7 @@ channels:
 dependencies:
   - python =3.9
   - qcfractal =0.15.8.1
+  - h5py =3.1.0     # pinning because latest (3.3.0) build appears broken
   - qcengine =0.24.1
   - qcelemental =0.25.0
 

diff --git a/devtools/prod-envs/qcarchive-worker-openff-psi4.yaml b/devtools/prod-envs/qcarchive-worker-openff-psi4.yaml
@@ -6,6 +6,7 @@ channels:
 dependencies:
   - python =3.9
   - qcfractal =0.15.8.1
+  - h5py =3.1.0     # pinning because latest (3.3.0) build appears broken
   - qcengine =0.24.1
   - qcelemental =0.25.0
 

diff --git a/devtools/prod-envs/qcarchive-worker-openff-xtb.yaml b/devtools/prod-envs/qcarchive-worker-openff-xtb.yaml
@@ -6,6 +6,7 @@ channels:
 dependencies:
   - python =3.9
   - qcfractal =0.15.8.1
+  - h5py =3.1.0     # pinning because latest (3.3.0) build appears broken
   - qcengine =0.24.1
   - qcelemental =0.25.0