Merge branch 'main' into licenses

trz42 · web-flow · commit 1d5288809ed1 · 2026-02-17T10:15:30.000+01:00
diff --git a/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.1.2-001-system.yml b/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.1.2-001-system.yml
@@ -0,0 +1,5 @@
+easyconfigs:
+  - EasyBuild-5.2.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24974
+        from-commit: 775394fc355a53422ef7dfffdc72e88c2de8f703
diff --git a/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.1.2-2023a.yml b/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.1.2-2023a.yml
@@ -7,3 +7,17 @@ easyconfigs:
         from-commit: 3f59104cfd0aeedc261e2bf7ca18b8ae5efdca0a 
   - ESMF-8.6.0-foss-2023a.eb
   - xESMF-0.8.6-foss-2023a.eb
+  - LPC3D-0.1.2-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24703
+        from-commit: 67de6dc47ed49fabea09da17849b35bb2a7a9618
+  - NCO-5.1.9-foss-2023a.eb
+  - yacrd-1.0.0-foss-2023a.eb
+  - VeloxChem-1.0-rc4-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24176
+        from-commit: 107ea0ea250d1fd145c92f1d265d372e0ea3e685
+  - RDKit-2024.03.3-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25109
+        from-commit: e0c9571b3a64c2abd72a83405405778d45a9733e
diff --git a/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.1.2-2023b.yml b/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.1.2-2023b.yml
@@ -51,3 +51,8 @@ easyconfigs:
       options:
         # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24490
         from-commit: c9c20b479dc9220724f0c38f980a372413d0c5ed
+  - RAxML-8.2.13-gompi-2023b.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/23975
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24627
+        from-commit: b1f428cb3d93eb8be2f6dce1494b23713daa3ecd
diff --git a/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023a.yml b/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023a.yml
@@ -0,0 +1,43 @@
+easyconfigs:
+  - jupyterlmod-4.0.3-GCCcore-12.3.0.eb
+  - Graphviz-8.1.0-GCCcore-12.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25189
+        from-commit: 962002ee42d6fc74c981105a79e30b05f37cc1d0
+  - aiida-core-2.7.2-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25113
+        from-commit: 077b656e7e9a93aef4a6286aafc57fb5acd7a424
+  - aiida-shell-0.8.2-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25113
+        from-commit: 077b656e7e9a93aef4a6286aafc57fb5acd7a424
+  - AmberTools-23.6-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyblocks/pull/4045
+        include-easyblocks-from-commit: b0aef6d87f3b102a29f53c875e1c69b789f16a33
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25193
+        from-commit: f97ac13b2d4290c505aaa6532fdedebb4f629834
+  - OpenBabel-3.1.1-gompi-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25222
+        from-commit: 7dbe8beab98ec0b2daa432aa43ae3a0ed874e859
+  - acpype-2023.10.27-foss-2023a.eb
+  - AITW-stiffness-1.0.0-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyblocks/pull/4056
+        include-easyblocks-from-commit: 0f75bae68e0323d7053e0e2dddb03e6422e666e2
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25220
+        from-commit: fc6e46c10d6c5d92ea2ab403bfcde364828fa693
+  - AITW-microstructures-1.0.0-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyblocks/pull/4056
+        include-easyblocks-from-commit: 0f75bae68e0323d7053e0e2dddb03e6422e666e2
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25220
+        from-commit: fc6e46c10d6c5d92ea2ab403bfcde364828fa693
+  - AITW-viscosity-1.0.0-foss-2023a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyblocks/pull/4056
+        include-easyblocks-from-commit: 0f75bae68e0323d7053e0e2dddb03e6422e666e2
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25220
+        from-commit: fc6e46c10d6c5d92ea2ab403bfcde364828fa693
diff --git a/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023b.yml b/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023b.yml
@@ -0,0 +1,2 @@
+easyconfigs:
+  - GROMACS-2024.3-foss-2023b-PLUMED-2.9.2.eb
diff --git a/easystacks/software.eessi.io/2023.06/rebuilds/20260126-eb-5.2.0-hatchling-1.18.0-sapphirerapids-typing-extensions.yml b/easystacks/software.eessi.io/2023.06/rebuilds/20260126-eb-5.2.0-hatchling-1.18.0-sapphirerapids-typing-extensions.yml
@@ -0,0 +1,13 @@
+# 2026.02.03
+# hatchling-1.18.0 rebuild to clean up `typing_extensions` leftover extension in sapphirerapids
+# Previous rebuild PRs seem to have left an old Python extension that is no more needed after
+# the easyconfig was updated: https://github.com/easybuilders/easybuild-easyconfigs/pull/20389
+easyconfigs:
+  - hatchling-1.18.0-GCCcore-12.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/20389
+        from-commit: 9580c0d67d6dd97b160b768a839bfcba6d5b21b9
+  - hatchling-1.18.0-GCCcore-13.2.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/20389
+        from-commit: 9580c0d67d6dd97b160b768a839bfcba6d5b21b9
diff --git a/easystacks/software.eessi.io/2023.06/rebuilds/20260126-eb-5.2.0-jupyter-server-path_patches.yml b/easystacks/software.eessi.io/2023.06/rebuilds/20260126-eb-5.2.0-jupyter-server-path_patches.yml
@@ -0,0 +1,5 @@
+# The current version of jupyter-server on 2023.06 jupyter-server/2.7.2-GCCcore-12.3.0 does not include the patch
+# introduced by https://github.com/easybuilders/easybuild-easyconfigs/pull/19737 to modify the behavior og jupyter
+# to add paths from EB_ENV_JUPYTER_ROOT to JUPYTER_PATH and JUPYTER_CONFIG_PATH.
+easyconfigs:
+  - jupyter-server-2.7.2-GCCcore-12.3.0.eb
diff --git a/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.1.2-001-system.yml b/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.1.2-001-system.yml
@@ -4,3 +4,7 @@ easyconfigs:
       options:
         # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24402
         from-commit: b83c437b11d31e2b8bb6ac8eb683a1b24e0dc810
+  - EasyBuild-5.2.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24974
+        from-commit: 775394fc355a53422ef7dfffdc72e88c2de8f703
diff --git a/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.1.2-2025a.yml b/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.1.2-2025a.yml
@@ -38,7 +38,7 @@ easyconfigs:
       options:
         # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24161
         from-commit: 04b8829e730bc35a4654441297fb39a7d8d4b4dc
-  - OSU-Micro-Benchmarks-7.5-gompi-2025a.eb    
+  - OSU-Micro-Benchmarks-7.5-gompi-2025a.eb
   - json-fortran-9.0.5-GCC-14.2.0.eb:
       options:
         # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24095
@@ -60,3 +60,33 @@ easyconfigs:
         # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24552
         from-commit: d92743f799fc859c472edccd78cf558e0a91ba86
   - Biopython-1.85-gfbf-2025a.eb
+  - ASE-3.25.0-gfbf-2025a.eb
+  - LLVM-20.1.7-GCCcore-14.2.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyblocks/pull/4014
+        include-easyblocks-from-commit: 42a3e24d1d66a98d8a38bd2e5744e864cc4f46be
+  - Mesa-25.1.3-GCCcore-14.2.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24048
+        from-commit: 003a729ab53fb81e6c34618795b32fcfc99b8c08
+  - GSL-2.8-GCC-14.2.0
+  - IPython-9.3.0-GCCcore-14.2.0.eb
+  - HDF5-1.14.6-gompi-2025a.eb
+  - h5py-3.14.0-foss-2025a.eb
+  - Pint-0.24.4-GCCcore-14.2.0.eb
+  - HeFFTe-2.4.1-foss-2025a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24812
+        from-commit: f8bba1b0e552d120894b0eca3c86e52dec3191e7
+  - R-4.5.1-gfbf-2025a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24107
+        from-commit: 9b18c6f95d24fe974cf4eed23497521252ee4887
+  - neko-0.9.1-foss-2025a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24438
+        from-commit: 32d6d1bddd57248651e39afb42eca9852ac2823f
+  - Qt6-6.9.3-GCCcore-14.2.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24356
+        from-commit: c057c3242d4a947ae30358ea283659ff0d1a3d17
diff --git a/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.1.2-2025b.yml b/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.1.2-2025b.yml
@@ -0,0 +1,18 @@
+easyconfigs:
+  - GCC-14.3.0.eb
+  - Python-3.13.5-GCCcore-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24189
+        from-commit: 348d94859e21f06d6eae72412f1445b7be982dfd
+  - BLIS-2.0-GCC-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyblocks/pull/3938
+        include-easyblocks-from-commit: a35d88fdecb0630b5aa56a7a13e35964b816bdf7
+  - OpenMPI-5.0.8-GCC-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24763
+        from-commit: 9e6b01cfd29692944cb57bef9493ae7253103e42
+  - libarchive-3.8.1-GCCcore-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24203
+        from-commit: 237970c5b712196f4d01feab8b913591cc6c772f
diff --git a/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.2.0-2024a.yml b/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.2.0-2024a.yml
@@ -0,0 +1,16 @@
+easyconfigs:
+  - MLflow-2.22.4-gfbf-2024a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/24951
+        from-commit: 0f50e961c55d6406b0e64eebd59335b32dce0e92
+  - Flux-0.80.0-GCC-13.3.0.eb
+  - WRF-4.6.1-foss-2024a-dmpar.eb
+  - buildenv-default-foss-2024a.eb
+  - GDRCopy-2.4.1-GCCcore-13.3.0.eb
+  - lit-18.1.7-GCCcore-13.3.0.eb
+  - pydot-3.0.3-GCCcore-13.3.0.eb
+  - pyzstd-0.16.2-GCCcore-13.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/23923
+        from-commit: 0eef0cf4f6e03172451c41a5af1c0e26b7a777f8
+  - GDB-16.3-GCCcore-13.3.0.eb
diff --git a/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.2.0-2025a.yml b/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.2.0-2025a.yml
@@ -0,0 +1,9 @@
+easyconfigs:
+  - buildenv-default-foss-2025a.eb
+  - GDB-16.3-GCCcore-14.2.0.eb
+  - VTK-9.5.0-foss-2025a.eb
+  - NLopt-2.10.0-GCCcore-14.2.0.eb
+  - DIRAC-25.0-foss-2025a.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25238
+        from-commit: c00228dc4067b3a9ab02f33cb1a18e777e4a0e8e
diff --git a/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.2.0-2025b.yml b/easystacks/software.eessi.io/2025.06/eessi-2025.06-eb-5.2.0-2025b.yml
@@ -0,0 +1,24 @@
+easyconfigs:
+  - FlexiBLAS-3.4.5-GCC-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyblocks/pull/4031
+        include-easyblocks-from-commit: 64173059ec68ff74f68e08115ededa308b2af19a
+  - foss-2025b.eb
+  - LLVM-20.1.8-GCCcore-14.3.0.eb
+  - lfoss-2025b.eb
+  - libdrm-2.4.125-GCCcore-14.3.0.eb
+  - minimap2-2.30-GCCcore-14.3.0.eb
+  - BWA-0.7.19-GCCcore-14.3.0.eb
+  - buildenv-default-foss-2025b.eb
+  - Armadillo-15.0.1-foss-2025b.eb
+  - GDB-16.3-GCCcore-14.3.0.eb
+  - Rust-1.91.1-GCCcore-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25217
+        from-commit: 9793e8871ab0c9e635e7b7fc4d06720c62aebb26
+  - Python-bundle-PyPI-2025.07-GCCcore-14.3.0.eb
+  - Pango-1.57.0-GCCcore-14.3.0.eb
+  - Vala-0.56.18-GCCcore-14.3.0.eb
+  - Wayland-1.24.0-GCCcore-14.3.0.eb
+  - OpenGL-2025.09-GCCcore-14.3.0.eb
+  - GTK3-3.24.43-GCCcore-14.3.0.eb
diff --git a/easystacks/software.eessi.io/2025.06/rebuilds/20260113-eb-5.2.0-poetry-new-dep.yml b/easystacks/software.eessi.io/2025.06/rebuilds/20260113-eb-5.2.0-poetry-new-dep.yml
@@ -0,0 +1,9 @@
+# In EasyBuild 5.2.0 poetry had a required package moved to an
+# external dependency
+# https://github.com/easybuilders/easybuild-easyconfigs/pull/24566
+# Rebuild versions already shipped in EESSI
+easyconfigs:
+  - build-1.2.2.post1-GCCcore-13.3.0.eb  # missing dep
+  - poetry-1.8.3-GCCcore-13.3.0.eb
+  - build-1.3.0-GCCcore-14.2.0.eb  # missing dep
+  - poetry-2.1.2-GCCcore-14.2.0.eb
diff --git a/easystacks/software.eessi.io/2025.06/rebuilds/20260115-eb-5.2.0-hwloc-2025a-2025b.yml b/easystacks/software.eessi.io/2025.06/rebuilds/20260115-eb-5.2.0-hwloc-2025a-2025b.yml
@@ -0,0 +1,12 @@
+# rebuild hwloc for 2025a and 2025b to pick up patch
+# that significantly improvies MPI startup time;
+# see also https://github.com/open-mpi/hwloc/issues/756
+easyconfigs:
+  - hwloc-2.11.2-GCCcore-14.2.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25043
+        from-commit: 9c1f56e168199e24831413a68d8e9e1660b46dab
+  - hwloc-2.12.1-GCCcore-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25063
+        from-commit: a6ad24949b803bc028896a8136536085a5cd3c11
diff --git a/easystacks/software.eessi.io/2025.06/rebuilds/20260120-eb-5.2.0-Python-3.13.5-ctypes-patch.yml b/easystacks/software.eessi.io/2025.06/rebuilds/20260120-eb-5.2.0-Python-3.13.5-ctypes-patch.yml
@@ -0,0 +1,9 @@
+# rebuild Python 3.13.5 with EasyBuild 5.2.0 to pick up the ctypes fix from
+# https://github.com/easybuilders/easybuild-easyblocks/pull/3860
+# and https://github.com/easybuilders/easybuild-easyconfigs/pull/25106.
+# Also see https://github.com/EESSI/software-layer/issues/1363.
+easyconfigs:
+  - Python-3.13.5-GCCcore-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25106
+        from-commit: deb72dd056970e32b7f649ce2a629b63aad6e83a
diff --git a/easystacks/software.eessi.io/2025.06/rebuilds/20260212-eb-5.2.0-libarchive-3.8.1-libiconv-dep.yml b/easystacks/software.eessi.io/2025.06/rebuilds/20260212-eb-5.2.0-libarchive-3.8.1-libiconv-dep.yml
@@ -0,0 +1,7 @@
+# rebuild libarchive 3.8.1 with libiconv as a runtime dependency
+# see https://github.com/easybuilders/easybuild-easyconfigs/pull/25259
+easyconfigs:
+  - libarchive-3.8.1-GCCcore-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25259
+        from-commit: fedb256a998b6059f17ac9250eea0f88c3afec82
diff --git a/easystacks/software.eessi.io/2025.06/rebuilds/20260215-eb-5.2.0-Pango-1.57.0-fontconfig-dep.yml b/easystacks/software.eessi.io/2025.06/rebuilds/20260215-eb-5.2.0-Pango-1.57.0-fontconfig-dep.yml
@@ -0,0 +1,7 @@
+# rebuild Pango 1.57.0 with fontconfig as a runtime dependency
+# see https://github.com/easybuilders/easybuild-easyconfigs/pull/25285
+easyconfigs:
+  - Pango-1.57.0-GCCcore-14.3.0.eb:
+      options:
+        # see https://github.com/easybuilders/easybuild-easyconfigs/pull/25285
+        from-commit: 32bb1e4a9dab44145ce516bd38e9e6924b53eb67 

Original file line number	Diff line number	Diff line change
`@@ -0,0 +1,2 @@`
	`1`	`+easyconfigs:`
	`2`	`+ - GROMACS-2024.3-foss-2023b-PLUMED-2.9.2.eb`