From a9c6db5fbc21e0cfde8423398e75afc61f5affde Mon Sep 17 00:00:00 2001
From: Eleni Mathioulaki <emathioulaki@athenarc.gr>
Date: Mon, 10 Mar 2025 17:39:56 +0000
Subject: [PATCH] feat(py-biobb): add version 4.1.0
---
packages/py-biobb-analysis/package.py | 15 ++-------------
packages/py-biobb-chemistry/package.py | 15 ++-------------
spack.yaml | 4 ++--
3 files changed, 6 insertions(+), 28 deletions(-)
diff --git a/packages/py-biobb-analysis/package.py b/packages/py-biobb-analysis/package.py
index 799d4c36..9c580af0 100644
--- a/packages/py-biobb-analysis/package.py
+++ b/packages/py-biobb-analysis/package.py
@@ -12,14 +12,13 @@ class PyBiobbAnalysis(PythonPackage):
# Homepage and download url
homepage = "https://github.com/bioexcel/biobb_analysis"
git = 'https://github.com/bioexcel/biobb_analysis.git'
- url = 'https://github.com/bioexcel/biobb_analysis/archive/refs/tags/v4.0.1.tar.gz'
+ url = 'https://github.com/bioexcel/biobb_analysis/archive/refs/tags/v4.1.0.tar.gz'
# Set the gitlab accounts of this package maintainers
maintainers = ['dbeltran']
# Versions
- version('master', branch='master')
- version('4.0.1', sha256='3d7190d0cae6af42b2e7c0ecf073930a609b699ef311e8b74afc1634958e09b0')
+ version('4.1.0', sha256='fecbb7ffa0e38f732fcc613adc7f1656e3c65af519a072269dabc244681f1791')
# Dependencies
depends_on('python@3.8:', type=('build', 'run'))
@@ -27,16 +26,6 @@ class PyBiobbAnalysis(PythonPackage):
depends_on('gromacs')
depends_on('ambertools')
- # Patching to enable python 3.10 (not official, might not be stable)
- def patch(self):
- filter_file(" python_requires='>=3.7,<3.10',", " python_requires='>=3.7,<3.11',", "setup.py")
- filter_file(
- "'Programming Language :: Python :: 3.9'",
- "'Programming Language :: Python :: 3.9',\r\n "
- "'Programming Language :: Python :: 3.10'",
- "setup.py",
- )
-
# Test
@run_after('install')
@on_package_attributes(run_tests=True)
diff --git a/packages/py-biobb-chemistry/package.py b/packages/py-biobb-chemistry/package.py
index 6ec163b6..c30b8092 100644
--- a/packages/py-biobb-chemistry/package.py
+++ b/packages/py-biobb-chemistry/package.py
@@ -12,14 +12,13 @@ class PyBiobbChemistry(PythonPackage):
# Homepage and download url
homepage = "https://github.com/bioexcel/biobb_chemistry"
git = 'https://github.com/bioexcel/biobb_chemistry.git'
- url = 'https://github.com/bioexcel/biobb_chemistry/archive/refs/tags/v4.0.0.tar.gz'
+ url = 'https://github.com/bioexcel/biobb_chemistry/archive/refs/tags/v4.1.0.tar.gz'
# Set the gitlab accounts of this package maintainers
maintainers = ['dbeltran']
# Versions
- version('master', branch='master')
- version('4.0.0', sha256='40f65b4a93dff24e19995265e41fd6821f5ac2f35199d938f1d00fa035883e64')
+ version('4.1.0', sha256='8d04943bbfcd83eb4d5d3247949cf035977fd097d5014a39354b0502e1cd16c8')
# Dependencies
depends_on('python@3.8:', type=('build', 'run'))
@@ -28,16 +27,6 @@ class PyBiobbChemistry(PythonPackage):
depends_on('ambertools')
depends_on('acpype')
- # Patching to enable python 3.10 (not official, might not be stable)
- def patch(self):
- filter_file(" python_requires='>=3.7,<3.10',", " python_requires='>=3.7,<3.11',", "setup.py")
- filter_file(
- "'Programming Language :: Python :: 3.9'",
- "'Programming Language :: Python :: 3.9',\r\n "
- "'Programming Language :: Python :: 3.10'",
- "setup.py",
- )
-
# Test
@run_after('install')
@on_package_attributes(run_tests=True)
diff --git a/spack.yaml b/spack.yaml
index c6d455fd..9d86fd2f 100644
--- a/spack.yaml
+++ b/spack.yaml
@@ -4,8 +4,8 @@ spack:
specs:
# EBRAINS tools
- arbor@0.10.0 +python +mpi
- - py-biobb-analysis@4.0.1
- - py-biobb-chemistry@4.0.0
+ - py-biobb-analysis@4.1.0
+ - py-biobb-chemistry@4.1.0
- py-biobb-common@4.1.0
- py-biobb-gromacs@4.1.1
- py-biobb-io@4.1.0
--
GitLab