From 6c2d43858ec0e225601fc05a6feb2a99e536e339 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Franz=20P=C3=B6schel?= Date: Thu, 6 Jun 2024 18:09:09 +0200 Subject: [PATCH 1/5] Fix CI installation of openPMD-api --- Dockerfile | 1 - install/mala_cpu_base_environment.yml | 1 + install/mala_cpu_environment.yml | 1 + 3 files changed, 2 insertions(+), 1 deletion(-) diff --git a/Dockerfile b/Dockerfile index 724ed44e5..3167d4ed7 100644 --- a/Dockerfile +++ b/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 diff --git a/install/mala_cpu_base_environment.yml b/install/mala_cpu_base_environment.yml index 626008b16..459fa3231 100644 --- a/install/mala_cpu_base_environment.yml +++ b/install/mala_cpu_base_environment.yml @@ -14,3 +14,4 @@ dependencies: - mpmath - tensorboard - scikit-spatial + - openpmd_api>=0.15.1 diff --git a/install/mala_cpu_environment.yml b/install/mala_cpu_environment.yml index 97fb82bd8..3c386b932 100644 --- a/install/mala_cpu_environment.yml +++ b/install/mala_cpu_environment.yml @@ -95,6 +95,7 @@ dependencies: - numpy=1.24.0 - oauthlib=3.2.2 - openjpeg=2.5.0 + - openpmd-api=0.15.2 - openssl=3.0.7 - optuna=3.0.5 - packaging=22.0 From 35a4a8f4bc77f7335cc2d7b47a17d092762d96a4 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Franz=20P=C3=B6schel?= Date: Fri, 7 Jun 2024 14:04:40 +0200 Subject: [PATCH 2/5] Adapt further dependencies --- install/mala_cpu_environment.yml | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/install/mala_cpu_environment.yml b/install/mala_cpu_environment.yml index 3c386b932..43dad4444 100644 --- a/install/mala_cpu_environment.yml +++ b/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 @@ -95,8 +95,8 @@ dependencies: - numpy=1.24.0 - oauthlib=3.2.2 - openjpeg=2.5.0 - - openpmd-api=0.15.2 - - openssl=3.0.7 + - openpmd-api=0.15.2=nompi_py38h766a7de_102 + - openssl=3.3.1 - optuna=3.0.5 - packaging=22.0 - pandas=1.5.2 @@ -114,7 +114,7 @@ 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 @@ -154,4 +154,4 @@ dependencies: - yarl=1.8.1 - zipp=3.11.0 - zlib=1.2.13 - - zstd=1.5.2 + - zstd=1.5.5 From b60fdd133f91b2513b7076be47b2784ef45bd1d6 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Franz=20P=C3=B6schel?= Date: Fri, 7 Jun 2024 16:07:41 +0200 Subject: [PATCH 3/5] Fix typo --- install/mala_cpu_base_environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/install/mala_cpu_base_environment.yml b/install/mala_cpu_base_environment.yml index 459fa3231..a1b125831 100644 --- a/install/mala_cpu_base_environment.yml +++ b/install/mala_cpu_base_environment.yml @@ -14,4 +14,4 @@ dependencies: - mpmath - tensorboard - scikit-spatial - - openpmd_api>=0.15.1 + - openpmd-api>=0.15.1 From 29348ee45ba0f3fafaa30349ca148e01a62e0b91 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Franz=20P=C3=B6schel?= Date: Fri, 7 Jun 2024 16:47:22 +0200 Subject: [PATCH 4/5] be less specific about openpmd-api version --- install/mala_cpu_base_environment.yml | 2 +- install/mala_cpu_environment.yml | 2 +- requirements.txt | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/install/mala_cpu_base_environment.yml b/install/mala_cpu_base_environment.yml index a1b125831..1f5f61308 100644 --- a/install/mala_cpu_base_environment.yml +++ b/install/mala_cpu_base_environment.yml @@ -14,4 +14,4 @@ dependencies: - mpmath - tensorboard - scikit-spatial - - openpmd-api>=0.15.1 + - openpmd-api diff --git a/install/mala_cpu_environment.yml b/install/mala_cpu_environment.yml index 43dad4444..8fcd3ba02 100644 --- a/install/mala_cpu_environment.yml +++ b/install/mala_cpu_environment.yml @@ -95,7 +95,7 @@ dependencies: - numpy=1.24.0 - oauthlib=3.2.2 - openjpeg=2.5.0 - - openpmd-api=0.15.2=nompi_py38h766a7de_102 + - openpmd-api=0.15.2 - openssl=3.3.1 - optuna=3.0.5 - packaging=22.0 diff --git a/requirements.txt b/requirements.txt index b8c1d7b64..b784a6c69 100644 --- a/requirements.txt +++ b/requirements.txt @@ -8,5 +8,5 @@ optuna scipy pandas tensorboard -openpmd-api>=0.15 +openpmd-api scikit-spatial From 2bf4933cd32d32b26906e5443d09dbea0ca01b90 Mon Sep 17 00:00:00 2001 From: "Kotik, Daniel" Date: Wed, 12 Jun 2024 15:44:20 +0200 Subject: [PATCH 5/5] Enforce installation of openPMD via pip --- install/mala_cpu_base_environment.yml | 3 ++- install/mala_cpu_environment.yml | 3 ++- 2 files changed, 4 insertions(+), 2 deletions(-) diff --git a/install/mala_cpu_base_environment.yml b/install/mala_cpu_base_environment.yml index 1f5f61308..f8309f5b9 100644 --- a/install/mala_cpu_base_environment.yml +++ b/install/mala_cpu_base_environment.yml @@ -14,4 +14,5 @@ dependencies: - mpmath - tensorboard - scikit-spatial - - openpmd-api + - pip: + - openpmd-api diff --git a/install/mala_cpu_environment.yml b/install/mala_cpu_environment.yml index 8fcd3ba02..eaf4b88bc 100644 --- a/install/mala_cpu_environment.yml +++ b/install/mala_cpu_environment.yml @@ -95,7 +95,6 @@ dependencies: - numpy=1.24.0 - oauthlib=3.2.2 - openjpeg=2.5.0 - - openpmd-api=0.15.2 - openssl=3.3.1 - optuna=3.0.5 - packaging=22.0 @@ -155,3 +154,5 @@ dependencies: - zipp=3.11.0 - zlib=1.2.13 - zstd=1.5.5 + - pip: + - openpmd-api==0.15.2