diff --git a/packages/py-biobb-analysis/package.py b/packages/py-biobb-analysis/package.py index 799d4c36cff2f43075cba01cb23a707d58dde4a7..9c580af04384d385d1539d04ad91d5afd4cec188 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 6ec163b67d6743ac31711a1f3a6b7253738a4246..c30b809245e1e2161716bc65aff4a2b1798e5638 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 c6d455fd5367bfb0b8999ff6348050a81cd83897..9d86fd2f892c22cac654c159cf7666e584f16cab 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