Merge pull request #541 from franzpoeschel/fix-ci-installation-of-ope…

…npmd

Fix CI installation of openPMD-api

Dockerfile

@@ -21,7 +21,6 @@ RUN conda env create -f mala_${DEVICE}_environment.yml && rm -rf /opt/conda/pkgs
 RUN /opt/conda/envs/mala-${DEVICE}/bin/pip install --no-input --no-cache-dir \
     pytest \
     oapackage==2.6.8 \
-    openpmd-api==0.15.1 \
     pqkmeans
 
 RUN echo "source activate mala-${DEVICE}" > ~/.bashrc

install/mala_cpu_base_environment.yml

@@ -14,3 +14,5 @@ dependencies:
   - mpmath
   - tensorboard
   - scikit-spatial
+  - pip:
+      - openpmd-api

install/mala_cpu_environment.yml

@@ -63,8 +63,8 @@ dependencies:
   - libdeflate=1.14
   - libffi=3.4.2
   - libgcc-ng=12.2.0
-  - libgfortran-ng=12.2.0
-  - libgfortran5=12.2.0
+  - libgfortran-ng=12.3.0
+  - libgfortran5=12.3.0
   - libgrpc=1.51.1
   - libhwloc=2.8.0
   - libiconv=1.17
@@ -95,7 +95,7 @@ dependencies:
   - numpy=1.24.0
   - oauthlib=3.2.2
   - openjpeg=2.5.0
-  - openssl=3.0.7
+  - openssl=3.3.1
   - optuna=3.0.5
   - packaging=22.0
   - pandas=1.5.2
@@ -113,7 +113,7 @@ dependencies:
   - pyparsing=3.0.9
   - pyperclip=1.8.2
   - pysocks=1.7.1
-  - python=3.8.15
+  - python=3.8.16
   - python-dateutil=2.8.2
   - python_abi=3.8
   - pytorch=1.13.0
@@ -153,4 +153,6 @@ dependencies:
   - yarl=1.8.1
   - zipp=3.11.0
   - zlib=1.2.13
-  - zstd=1.5.2
+  - zstd=1.5.5
+  - pip:
+      - openpmd-api==0.15.2

requirements.txt

@@ -8,5 +8,5 @@ optuna
 scipy
 pandas
 tensorboard
-openpmd-api>=0.15
+openpmd-api
 scikit-spatial