From c2a5cc06d16b0fb6f1ea30e01f2dbf365c3a9179 Mon Sep 17 00:00:00 2001 From: albertmena <12760268+albertmena@users.noreply.github.com> Date: Tue, 13 Oct 2026 10:43:50 +0200 Subject: [PATCH 1/6] xmipp3 envitonment yaml files --- conda/xmipp_CPU.yml | 21 +++++++++++++++++++++ conda/xmipp_CUDA11.yml | 21 +++++++++++++++++++++ conda/xmipp_CUDA12.yml | 22 ++++++++++++++++++++++ conda/xmipp_CUDA13.yml | 21 +++++++++++++++++++++ 4 files changed, 85 insertions(+) create mode 100644 conda/xmipp_CPU.yml create mode 100644 conda/xmipp_CUDA11.yml create mode 100644 conda/xmipp_CUDA12.yml create mode 100644 conda/xmipp_CUDA13.yml diff --git a/conda/xmipp_CPU.yml b/conda/xmipp_CPU.yml new file mode 100644 index 000000000..d4e306d28 --- /dev/null +++ b/conda/xmipp_CPU.yml @@ -0,0 +1,21 @@ +name: xmipp3 +channels: + - nvidia + - conda-forge + - nodefaults +dependencies: + - gcc_linux-64 + - gxx_linux-64 + - cmake=3.31.8 + - zlib + - fftw + - hdf5>=1.8,<=1.12.2 + - openmpi + - sqlite>=3 + - libtiff + - libjpeg-turbo + - openjdk=11.0.29 + - libcxxabi + - pip: + - numpy==1.26.4 + diff --git a/conda/xmipp_CUDA11.yml b/conda/xmipp_CUDA11.yml new file mode 100644 index 000000000..89ffe80dd --- /dev/null +++ b/conda/xmipp_CUDA11.yml @@ -0,0 +1,21 @@ +name: xmipp3 +channels: + - nvidia + - conda-forge + - nodefaults +dependencies: + - cuda=11.8.0 + - gcc_linux-64 + - gxx_linux-64 + - cmake=3.31.8 + - zlib + - fftw + - hdf5>=1.8,<=1.12.2 + - openmpi + - sqlite>=3 + - libtiff + - libjpeg-turbo + - openjdk=11.0.29 + - libcxxabi + - pip: + - numpy==1.26.4 diff --git a/conda/xmipp_CUDA12.yml b/conda/xmipp_CUDA12.yml new file mode 100644 index 000000000..8ad9035f3 --- /dev/null +++ b/conda/xmipp_CUDA12.yml @@ -0,0 +1,22 @@ +name: xmipp3 +channels: + - nvidia + - conda-forge + - nodefaults +dependencies: + - cuda=12.8.1 + - gcc_linux-64 + - gxx_linux-64 + - cmake=3.31.8 + - zlib + - fftw + - hdf5>=1.8,<=1.12.2 + - openmpi + - sqlite>=3 + - libtiff + - libjpeg-turbo + - openjdk=11.0.29 + - libcxxabi + - pip: + - numpy==1.26.4 + diff --git a/conda/xmipp_CUDA13.yml b/conda/xmipp_CUDA13.yml new file mode 100644 index 000000000..d2bf4b15f --- /dev/null +++ b/conda/xmipp_CUDA13.yml @@ -0,0 +1,21 @@ +name: xmipp3 +channels: + - nvidia + - conda-forge + - nodefaults +dependencies: + - cuda=13.1.1 + - gcc_linux-64 + - gxx_linux-64 + - cmake=3.31.8 + - zlib + - fftw + - hdf5>=1.8,<=1.12.2 + - openmpi + - sqlite>=3 + - libtiff + - libjpeg-turbo + - openjdk=11.0.29 + - libcxxabi + - pip: + - numpy==1.26.4 From a0a6e2c8fa8552aaa7914a89bfea4aa0a306cafa Mon Sep 17 00:00:00 2001 From: albertmena <12760268+albertmena@users.noreply.github.com> Date: Tue, 13 Oct 2026 11:16:10 +0200 Subject: [PATCH 2/6] xmipp3 envitonment yaml files --- conda/environments.json | 8 ++++++++ 1 file changed, 8 insertions(+) create mode 100644 conda/environments.json diff --git a/conda/environments.json b/conda/environments.json new file mode 100644 index 000000000..360cb4fc3 --- /dev/null +++ b/conda/environments.json @@ -0,0 +1,8 @@ +{ + "environments": [ + {"id": "CUDA13", "file": "conda/xmipp_CUDA13.yml", "min_driver_version": "580.65.06"}, + {"id": "CUDA12", "file": "conda/xmipp_CUDA12.yml", "min_driver_version": "525.60.13"}, + {"id": "CUDA11", "file": "conda/xmipp_CUDA11.yml", "min_driver_version": "450.80.02"}, + {"id": "CPU", "file": "conda/xmipp_CPU.yml"} + ] +} \ No newline at end of file From 232561f211b619ba3cca993ca149a9d650830aa5 Mon Sep 17 00:00:00 2001 From: Martin Salinas Date: Tue, 13 Oct 2026 11:34:40 +0200 Subject: [PATCH 3/6] Trailing line break --- conda/environments.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conda/environments.json b/conda/environments.json index 360cb4fc3..196ad0aa0 100644 --- a/conda/environments.json +++ b/conda/environments.json @@ -5,4 +5,4 @@ {"id": "CUDA11", "file": "conda/xmipp_CUDA11.yml", "min_driver_version": "450.80.02"}, {"id": "CPU", "file": "conda/xmipp_CPU.yml"} ] -} \ No newline at end of file +} From ae57048a01eff7bbd3ed0bc55e41290cbe8df5b5 Mon Sep 17 00:00:00 2001 From: albertmena <12760268+albertmena@users.noreply.github.com> Date: Tue, 13 Oct 2026 11:40:45 +0200 Subject: [PATCH 4/6] xmipp3 envitonment yaml files --- conda/xmipp_CPU.yml | 1 - conda/xmipp_CUDA11.yml | 1 - conda/xmipp_CUDA12.yml | 1 - conda/xmipp_CUDA13.yml | 1 - 4 files changed, 4 deletions(-) diff --git a/conda/xmipp_CPU.yml b/conda/xmipp_CPU.yml index d4e306d28..2d1e22e94 100644 --- a/conda/xmipp_CPU.yml +++ b/conda/xmipp_CPU.yml @@ -1,4 +1,3 @@ -name: xmipp3 channels: - nvidia - conda-forge diff --git a/conda/xmipp_CUDA11.yml b/conda/xmipp_CUDA11.yml index 89ffe80dd..0bed849e7 100644 --- a/conda/xmipp_CUDA11.yml +++ b/conda/xmipp_CUDA11.yml @@ -1,4 +1,3 @@ -name: xmipp3 channels: - nvidia - conda-forge diff --git a/conda/xmipp_CUDA12.yml b/conda/xmipp_CUDA12.yml index 8ad9035f3..007937bb2 100644 --- a/conda/xmipp_CUDA12.yml +++ b/conda/xmipp_CUDA12.yml @@ -1,4 +1,3 @@ -name: xmipp3 channels: - nvidia - conda-forge diff --git a/conda/xmipp_CUDA13.yml b/conda/xmipp_CUDA13.yml index d2bf4b15f..48ed5b293 100644 --- a/conda/xmipp_CUDA13.yml +++ b/conda/xmipp_CUDA13.yml @@ -1,4 +1,3 @@ -name: xmipp3 channels: - nvidia - conda-forge From d3edb9ac9f9ab5338d87dcb27e5989045eba6d8a Mon Sep 17 00:00:00 2001 From: albertmena <12760268+albertmena@users.noreply.github.com> Date: Tue, 13 Oct 2026 11:42:52 +0200 Subject: [PATCH 5/6] remove nvidia for only CPU --- conda/xmipp_CPU.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/conda/xmipp_CPU.yml b/conda/xmipp_CPU.yml index 2d1e22e94..db68fd9b3 100644 --- a/conda/xmipp_CPU.yml +++ b/conda/xmipp_CPU.yml @@ -1,5 +1,4 @@ channels: - - nvidia - conda-forge - nodefaults dependencies: From 43621988d5cfffbd5e2d44a3e390b6c83d93d484 Mon Sep 17 00:00:00 2001 From: albertmena <12760268+albertmena@users.noreply.github.com> Date: Tue, 13 Oct 2026 11:48:55 +0200 Subject: [PATCH 6/6] min driver versions --- conda/environments.json | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/conda/environments.json b/conda/environments.json index 196ad0aa0..453df4cb8 100644 --- a/conda/environments.json +++ b/conda/environments.json @@ -1,8 +1,8 @@ { "environments": [ - {"id": "CUDA13", "file": "conda/xmipp_CUDA13.yml", "min_driver_version": "580.65.06"}, - {"id": "CUDA12", "file": "conda/xmipp_CUDA12.yml", "min_driver_version": "525.60.13"}, - {"id": "CUDA11", "file": "conda/xmipp_CUDA11.yml", "min_driver_version": "450.80.02"}, + {"id": "CUDA13", "file": "conda/xmipp_CUDA13.yml", "min_driver_version": "590.48.01"}, + {"id": "CUDA12", "file": "conda/xmipp_CUDA12.yml", "min_driver_version": "570.124.06"}, + {"id": "CUDA11", "file": "conda/xmipp_CUDA11.yml", "min_driver_version": "520.61.05"}, {"id": "CPU", "file": "conda/xmipp_CPU.yml"} ] }